USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 611 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 21 TYR OH : rot 62:sc= 1.15 USER MOD Set 1.2: A 84 ASN : amide:sc= -3.08! C(o=-1.9!,f=-3.5!) USER MOD Set 2.1: A 64 LYS NZ :NH3+ -136:sc= -3.42! (180deg=-3.54!) USER MOD Set 2.2: A 65 ASN : amide:sc= 1.63 K(o=-1.8,f=-12!) USER MOD Set 3.1: A 35 THR OG1 : rot 180:sc= -0.266 USER MOD Set 3.2: A 38 GLN : amide:sc= -0.904 K(o=-1.2,f=-1.9) USER MOD Set 4.1: A 17 HIS : no HE2:sc= 1.08 K(o=3.3,f=-7.4!) USER MOD Set 4.2: A 67 TYR OH : rot -157:sc= 2.27 USER MOD Set 4.3: A 87 MET CE :methyl 165:sc= -0.0401 (180deg=-0.435) USER MOD Single : A 22 GLN : amide:sc= 1.07 K(o=1.1,f=-0.22) USER MOD Single : A 23 GLN : amide:sc= -1.43 K(o=-1.4,f=-2.8!) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN : amide:sc= -0.179 X(o=-0.18,f=-0.029) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 40 HIS : no HD1:sc= 0.0207 X(o=0.021,f=-0.44) USER MOD Single : A 43 SER OG : rot 84:sc= 0.378 USER MOD Single : A 44 ASN : amide:sc= -0.404 K(o=-0.4,f=-7.5!) USER MOD Single : A 47 GLN :FLIP amide:sc= -0.185 F(o=-0.9,f=-0.18) USER MOD Single : A 56 MET CE :methyl 152:sc= -0.857 (180deg=-2.77!) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 142:sc= 0.762 USER MOD Single : A 85 GLN : amide:sc= -0.466 K(o=-0.47,f=-1.1) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 51 N HIS A 17 -2.520 -4.590 -1.765 1.00 53.50 N ATOM 52 CA HIS A 17 -3.304 -4.840 -0.502 1.00 13.12 C ATOM 53 C HIS A 17 -2.745 -6.039 0.187 1.00 2.01 C ATOM 54 O HIS A 17 -2.851 -6.184 1.373 1.00 3.41 O ATOM 55 CB HIS A 17 -4.792 -5.016 -0.819 1.00 31.12 C ATOM 56 CG HIS A 17 -5.740 -4.693 0.304 1.00 2.50 C ATOM 57 ND1 HIS A 17 -6.041 -5.536 1.343 1.00 72.41 N ATOM 58 CD2 HIS A 17 -6.485 -3.577 0.508 1.00 14.32 C ATOM 59 CE1 HIS A 17 -6.936 -4.932 2.126 1.00 62.32 C ATOM 60 NE2 HIS A 17 -7.241 -3.734 1.662 1.00 35.12 N ATOM 0 HA HIS A 17 -3.216 -3.981 0.163 1.00 13.12 H new ATOM 0 HB2 HIS A 17 -5.040 -4.385 -1.672 1.00 31.12 H new ATOM 0 HB3 HIS A 17 -4.960 -6.048 -1.126 1.00 31.12 H new ATOM 0 HD1 HIS A 17 -5.648 -6.465 1.491 1.00 72.41 H new ATOM 0 HD2 HIS A 17 -6.489 -2.704 -0.128 1.00 14.32 H new ATOM 0 HE1 HIS A 17 -7.356 -5.366 3.022 1.00 62.32 H new ATOM 68 N ALA A 18 -2.075 -6.830 -0.584 1.00 33.33 N ATOM 69 CA ALA A 18 -1.359 -7.959 -0.112 1.00 53.41 C ATOM 70 C ALA A 18 -0.206 -7.546 0.832 1.00 5.24 C ATOM 71 O ALA A 18 0.349 -8.354 1.481 1.00 13.20 O ATOM 72 CB ALA A 18 -0.916 -8.833 -1.268 1.00 53.44 C ATOM 0 H ALA A 18 -2.011 -6.700 -1.594 1.00 33.33 H new ATOM 0 HA ALA A 18 -2.027 -8.569 0.496 1.00 53.41 H new ATOM 0 HB1 ALA A 18 -0.368 -9.694 -0.884 1.00 53.44 H new ATOM 0 HB2 ALA A 18 -1.791 -9.176 -1.821 1.00 53.44 H new ATOM 0 HB3 ALA A 18 -0.270 -8.258 -1.932 1.00 53.44 H new ATOM 78 N ALA A 19 0.176 -6.265 0.841 1.00 22.54 N ATOM 79 CA ALA A 19 1.216 -5.769 1.763 1.00 64.24 C ATOM 80 C ALA A 19 0.866 -6.043 3.239 1.00 0.34 C ATOM 81 O ALA A 19 1.748 -6.040 4.097 1.00 75.31 O ATOM 82 CB ALA A 19 1.484 -4.292 1.567 1.00 41.20 C ATOM 0 H ALA A 19 -0.214 -5.552 0.225 1.00 22.54 H new ATOM 0 HA ALA A 19 2.122 -6.323 1.519 1.00 64.24 H new ATOM 0 HB1 ALA A 19 2.256 -3.966 2.265 1.00 41.20 H new ATOM 0 HB2 ALA A 19 1.821 -4.116 0.545 1.00 41.20 H new ATOM 0 HB3 ALA A 19 0.569 -3.729 1.750 1.00 41.20 H new ATOM 88 N ASP A 20 -0.420 -6.264 3.552 1.00 72.45 N ATOM 89 CA ASP A 20 -0.784 -6.630 4.924 1.00 61.25 C ATOM 90 C ASP A 20 -0.313 -8.063 5.153 1.00 72.01 C ATOM 91 O ASP A 20 0.091 -8.445 6.263 1.00 54.14 O ATOM 92 CB ASP A 20 -2.304 -6.498 5.206 1.00 42.24 C ATOM 93 CG ASP A 20 -3.129 -7.691 4.760 1.00 52.30 C ATOM 94 OD1 ASP A 20 -3.182 -7.969 3.544 1.00 15.52 O ATOM 95 OD2 ASP A 20 -3.752 -8.346 5.628 1.00 24.23 O ATOM 0 H ASP A 20 -1.199 -6.198 2.897 1.00 72.45 H new ATOM 0 HA ASP A 20 -0.301 -5.939 5.615 1.00 61.25 H new ATOM 0 HB2 ASP A 20 -2.451 -6.349 6.276 1.00 42.24 H new ATOM 0 HB3 ASP A 20 -2.678 -5.605 4.705 1.00 42.24 H new ATOM 100 N TYR A 21 -0.268 -8.835 4.054 1.00 60.14 N ATOM 101 CA TYR A 21 0.251 -10.225 4.101 1.00 64.44 C ATOM 102 C TYR A 21 1.716 -10.235 4.459 1.00 41.42 C ATOM 103 O TYR A 21 2.235 -11.245 4.915 1.00 11.31 O ATOM 104 CB TYR A 21 -0.052 -11.083 2.819 1.00 33.52 C ATOM 105 CG TYR A 21 1.104 -11.423 1.837 1.00 22.33 C ATOM 106 CD1 TYR A 21 2.165 -12.281 2.160 1.00 12.24 C ATOM 107 CD2 TYR A 21 1.068 -10.941 0.567 1.00 42.01 C ATOM 108 CE1 TYR A 21 3.131 -12.592 1.242 1.00 74.11 C ATOM 109 CE2 TYR A 21 2.019 -11.242 -0.350 1.00 3.30 C ATOM 110 CZ TYR A 21 3.051 -12.061 -0.024 1.00 62.10 C ATOM 111 OH TYR A 21 4.032 -12.319 -0.971 1.00 25.34 O ATOM 0 H TYR A 21 -0.579 -8.532 3.131 1.00 60.14 H new ATOM 0 HA TYR A 21 -0.307 -10.724 4.894 1.00 64.44 H new ATOM 0 HB2 TYR A 21 -0.486 -12.026 3.152 1.00 33.52 H new ATOM 0 HB3 TYR A 21 -0.821 -10.561 2.250 1.00 33.52 H new ATOM 0 HD1 TYR A 21 2.221 -12.704 3.152 1.00 12.24 H new ATOM 0 HD2 TYR A 21 0.252 -10.295 0.278 1.00 42.01 H new ATOM 0 HE1 TYR A 21 3.947 -13.247 1.509 1.00 74.11 H new ATOM 0 HE2 TYR A 21 1.955 -10.828 -1.345 1.00 3.30 H new ATOM 0 HH TYR A 21 4.067 -13.282 -1.152 1.00 25.34 H new ATOM 121 N GLN A 22 2.392 -9.121 4.243 1.00 40.53 N ATOM 122 CA GLN A 22 3.785 -9.006 4.612 1.00 61.45 C ATOM 123 C GLN A 22 3.990 -9.363 6.086 1.00 12.21 C ATOM 124 O GLN A 22 4.916 -10.093 6.432 1.00 32.20 O ATOM 125 CB GLN A 22 4.335 -7.612 4.347 1.00 31.00 C ATOM 126 CG GLN A 22 5.706 -7.462 4.926 1.00 71.43 C ATOM 127 CD GLN A 22 6.386 -6.152 4.674 1.00 4.15 C ATOM 128 OE1 GLN A 22 5.758 -5.110 4.547 1.00 70.22 O ATOM 129 NE2 GLN A 22 7.689 -6.204 4.626 1.00 63.52 N ATOM 0 H GLN A 22 1.996 -8.285 3.814 1.00 40.53 H new ATOM 0 HA GLN A 22 4.333 -9.712 3.988 1.00 61.45 H new ATOM 0 HB2 GLN A 22 4.367 -7.427 3.273 1.00 31.00 H new ATOM 0 HB3 GLN A 22 3.669 -6.865 4.780 1.00 31.00 H new ATOM 0 HG2 GLN A 22 5.642 -7.614 6.003 1.00 71.43 H new ATOM 0 HG3 GLN A 22 6.336 -8.258 4.528 1.00 71.43 H new ATOM 0 HE21 GLN A 22 8.168 -7.098 4.737 1.00 63.52 H new ATOM 0 HE22 GLN A 22 8.228 -5.351 4.477 1.00 63.52 H new ATOM 138 N GLN A 23 3.087 -8.891 6.937 1.00 54.42 N ATOM 139 CA GLN A 23 3.190 -9.160 8.368 1.00 12.31 C ATOM 140 C GLN A 23 3.003 -10.659 8.641 1.00 60.42 C ATOM 141 O GLN A 23 3.555 -11.198 9.590 1.00 60.23 O ATOM 142 CB GLN A 23 2.204 -8.318 9.212 1.00 15.25 C ATOM 143 CG GLN A 23 2.390 -6.784 9.156 1.00 32.21 C ATOM 144 CD GLN A 23 1.909 -6.137 7.858 1.00 44.04 C ATOM 145 OE1 GLN A 23 0.762 -5.760 7.746 1.00 43.50 O ATOM 146 NE2 GLN A 23 2.790 -5.965 6.901 1.00 41.55 N ATOM 0 H GLN A 23 2.282 -8.326 6.666 1.00 54.42 H new ATOM 0 HA GLN A 23 4.191 -8.861 8.678 1.00 12.31 H new ATOM 0 HB2 GLN A 23 1.190 -8.552 8.887 1.00 15.25 H new ATOM 0 HB3 GLN A 23 2.287 -8.635 10.252 1.00 15.25 H new ATOM 0 HG2 GLN A 23 1.854 -6.334 9.992 1.00 32.21 H new ATOM 0 HG3 GLN A 23 3.446 -6.553 9.293 1.00 32.21 H new ATOM 0 HE21 GLN A 23 3.748 -6.293 7.025 1.00 41.55 H new ATOM 0 HE22 GLN A 23 2.517 -5.503 6.033 1.00 41.55 H new ATOM 155 N LEU A 24 2.223 -11.305 7.791 1.00 62.12 N ATOM 156 CA LEU A 24 2.045 -12.751 7.815 1.00 73.00 C ATOM 157 C LEU A 24 3.355 -13.419 7.450 1.00 33.20 C ATOM 158 O LEU A 24 3.910 -14.166 8.235 1.00 51.44 O ATOM 159 CB LEU A 24 0.950 -13.156 6.806 1.00 62.34 C ATOM 160 CG LEU A 24 0.815 -14.646 6.488 1.00 42.24 C ATOM 161 CD1 LEU A 24 0.272 -15.422 7.654 1.00 24.30 C ATOM 162 CD2 LEU A 24 -0.029 -14.861 5.258 1.00 4.33 C ATOM 0 H LEU A 24 1.690 -10.838 7.057 1.00 62.12 H new ATOM 0 HA LEU A 24 1.741 -13.067 8.813 1.00 73.00 H new ATOM 0 HB2 LEU A 24 -0.008 -12.803 7.186 1.00 62.34 H new ATOM 0 HB3 LEU A 24 1.137 -12.626 5.872 1.00 62.34 H new ATOM 0 HG LEU A 24 1.817 -15.025 6.286 1.00 42.24 H new ATOM 0 HD11 LEU A 24 0.192 -16.475 7.385 1.00 24.30 H new ATOM 0 HD12 LEU A 24 0.943 -15.315 8.506 1.00 24.30 H new ATOM 0 HD13 LEU A 24 -0.714 -15.040 7.918 1.00 24.30 H new ATOM 0 HD21 LEU A 24 -0.109 -15.929 5.054 1.00 4.33 H new ATOM 0 HD22 LEU A 24 -1.024 -14.447 5.423 1.00 4.33 H new ATOM 0 HD23 LEU A 24 0.435 -14.363 4.407 1.00 4.33 H new ATOM 174 N ARG A 25 3.850 -13.078 6.283 1.00 13.52 N ATOM 175 CA ARG A 25 5.039 -13.639 5.697 1.00 44.14 C ATOM 176 C ARG A 25 6.243 -13.522 6.629 1.00 22.21 C ATOM 177 O ARG A 25 6.844 -14.540 7.008 1.00 24.33 O ATOM 178 CB ARG A 25 5.290 -12.908 4.402 1.00 44.23 C ATOM 179 CG ARG A 25 6.401 -13.456 3.567 1.00 21.54 C ATOM 180 CD ARG A 25 6.573 -12.604 2.337 1.00 23.43 C ATOM 181 NE ARG A 25 6.982 -11.252 2.702 1.00 42.35 N ATOM 182 CZ ARG A 25 6.621 -10.129 2.091 1.00 30.44 C ATOM 183 NH1 ARG A 25 5.784 -10.151 1.055 1.00 62.31 N ATOM 184 NH2 ARG A 25 7.075 -8.981 2.539 1.00 31.04 N ATOM 0 H ARG A 25 3.413 -12.370 5.692 1.00 13.52 H new ATOM 0 HA ARG A 25 4.895 -14.705 5.519 1.00 44.14 H new ATOM 0 HB2 ARG A 25 4.373 -12.921 3.812 1.00 44.23 H new ATOM 0 HB3 ARG A 25 5.508 -11.864 4.629 1.00 44.23 H new ATOM 0 HG2 ARG A 25 7.327 -13.475 4.142 1.00 21.54 H new ATOM 0 HG3 ARG A 25 6.182 -14.485 3.282 1.00 21.54 H new ATOM 0 HD2 ARG A 25 7.319 -13.051 1.680 1.00 23.43 H new ATOM 0 HD3 ARG A 25 5.637 -12.569 1.779 1.00 23.43 H new ATOM 0 HE ARG A 25 7.606 -11.160 3.504 1.00 42.35 H new ATOM 0 HH11 ARG A 25 5.410 -11.039 0.720 1.00 62.31 H new ATOM 0 HH12 ARG A 25 5.517 -9.280 0.597 1.00 62.31 H new ATOM 0 HH21 ARG A 25 7.697 -8.959 3.347 1.00 31.04 H new ATOM 0 HH22 ARG A 25 6.806 -8.111 2.079 1.00 31.04 H new ATOM 198 N GLU A 26 6.550 -12.299 7.023 1.00 64.41 N ATOM 199 CA GLU A 26 7.664 -12.029 7.898 1.00 14.52 C ATOM 200 C GLU A 26 7.546 -12.733 9.251 1.00 32.21 C ATOM 201 O GLU A 26 8.541 -13.240 9.786 1.00 24.24 O ATOM 202 CB GLU A 26 7.909 -10.531 8.044 1.00 70.23 C ATOM 203 CG GLU A 26 8.921 -9.981 7.015 1.00 2.31 C ATOM 204 CD GLU A 26 8.479 -10.003 5.546 1.00 74.45 C ATOM 205 OE1 GLU A 26 8.298 -11.088 4.973 1.00 50.22 O ATOM 206 OE2 GLU A 26 8.329 -8.910 4.935 1.00 53.34 O ATOM 0 H GLU A 26 6.030 -11.468 6.742 1.00 64.41 H new ATOM 0 HA GLU A 26 8.545 -12.457 7.420 1.00 14.52 H new ATOM 0 HB2 GLU A 26 6.963 -10.001 7.933 1.00 70.23 H new ATOM 0 HB3 GLU A 26 8.274 -10.325 9.050 1.00 70.23 H new ATOM 0 HG2 GLU A 26 9.158 -8.952 7.285 1.00 2.31 H new ATOM 0 HG3 GLU A 26 9.844 -10.554 7.103 1.00 2.31 H new ATOM 213 N ARG A 27 6.327 -12.833 9.782 1.00 71.22 N ATOM 214 CA ARG A 27 6.137 -13.521 11.023 1.00 43.35 C ATOM 215 C ARG A 27 6.270 -15.020 10.856 1.00 64.31 C ATOM 216 O ARG A 27 6.822 -15.672 11.716 1.00 2.22 O ATOM 217 CB ARG A 27 4.826 -13.163 11.689 1.00 71.01 C ATOM 218 CG ARG A 27 4.543 -14.037 12.883 1.00 63.52 C ATOM 219 CD ARG A 27 3.458 -13.489 13.721 1.00 52.12 C ATOM 220 NE ARG A 27 2.878 -14.535 14.565 1.00 40.44 N ATOM 221 CZ ARG A 27 1.902 -14.403 15.448 1.00 62.13 C ATOM 222 NH1 ARG A 27 1.358 -13.205 15.697 1.00 54.33 N ATOM 223 NH2 ARG A 27 1.473 -15.483 16.076 1.00 61.15 N ATOM 0 H ARG A 27 5.479 -12.447 9.367 1.00 71.22 H new ATOM 0 HA ARG A 27 6.934 -13.184 11.686 1.00 43.35 H new ATOM 0 HB2 ARG A 27 4.851 -12.119 12.002 1.00 71.01 H new ATOM 0 HB3 ARG A 27 4.014 -13.260 10.968 1.00 71.01 H new ATOM 0 HG2 ARG A 27 4.271 -15.037 12.545 1.00 63.52 H new ATOM 0 HG3 ARG A 27 5.448 -14.138 13.482 1.00 63.52 H new ATOM 0 HD2 ARG A 27 3.845 -12.684 14.345 1.00 52.12 H new ATOM 0 HD3 ARG A 27 2.685 -13.056 13.086 1.00 52.12 H new ATOM 0 HE ARG A 27 3.271 -15.471 14.460 1.00 40.44 H new ATOM 0 HH11 ARG A 27 1.696 -12.379 15.203 1.00 54.33 H new ATOM 0 HH12 ARG A 27 0.606 -13.119 16.381 1.00 54.33 H new ATOM 0 HH21 ARG A 27 1.893 -16.390 15.875 1.00 61.15 H new ATOM 0 HH22 ARG A 27 0.722 -15.409 16.762 1.00 61.15 H new ATOM 237 N LEU A 28 5.825 -15.552 9.721 1.00 0.41 N ATOM 238 CA LEU A 28 5.877 -16.997 9.474 1.00 41.21 C ATOM 239 C LEU A 28 7.302 -17.450 9.496 1.00 63.14 C ATOM 240 O LEU A 28 7.628 -18.467 10.082 1.00 0.42 O ATOM 241 CB LEU A 28 5.250 -17.370 8.126 1.00 40.14 C ATOM 242 CG LEU A 28 3.749 -17.155 7.972 1.00 53.01 C ATOM 243 CD1 LEU A 28 3.336 -17.426 6.548 1.00 21.32 C ATOM 244 CD2 LEU A 28 2.970 -18.053 8.914 1.00 70.30 C ATOM 0 H LEU A 28 5.424 -15.008 8.957 1.00 0.41 H new ATOM 0 HA LEU A 28 5.304 -17.491 10.259 1.00 41.21 H new ATOM 0 HB2 LEU A 28 5.755 -16.797 7.349 1.00 40.14 H new ATOM 0 HB3 LEU A 28 5.462 -18.422 7.935 1.00 40.14 H new ATOM 0 HG LEU A 28 3.525 -16.119 8.225 1.00 53.01 H new ATOM 0 HD11 LEU A 28 2.262 -17.271 6.445 1.00 21.32 H new ATOM 0 HD12 LEU A 28 3.867 -16.748 5.880 1.00 21.32 H new ATOM 0 HD13 LEU A 28 3.580 -18.456 6.288 1.00 21.32 H new ATOM 0 HD21 LEU A 28 1.902 -17.879 8.783 1.00 70.30 H new ATOM 0 HD22 LEU A 28 3.197 -19.096 8.693 1.00 70.30 H new ATOM 0 HD23 LEU A 28 3.250 -17.831 9.944 1.00 70.30 H new ATOM 256 N ILE A 29 8.143 -16.658 8.885 1.00 71.04 N ATOM 257 CA ILE A 29 9.560 -16.900 8.853 1.00 34.42 C ATOM 258 C ILE A 29 10.116 -17.074 10.277 1.00 32.44 C ATOM 259 O ILE A 29 10.732 -18.088 10.593 1.00 65.45 O ATOM 260 CB ILE A 29 10.271 -15.743 8.098 1.00 3.34 C ATOM 261 CG1 ILE A 29 9.958 -15.828 6.590 1.00 44.22 C ATOM 262 CG2 ILE A 29 11.760 -15.713 8.372 1.00 34.02 C ATOM 263 CD1 ILE A 29 10.587 -14.735 5.749 1.00 41.44 C ATOM 0 H ILE A 29 7.858 -15.814 8.388 1.00 71.04 H new ATOM 0 HA ILE A 29 9.753 -17.829 8.317 1.00 34.42 H new ATOM 0 HB ILE A 29 9.880 -14.798 8.475 1.00 3.34 H new ATOM 0 HG12 ILE A 29 10.296 -16.795 6.217 1.00 44.22 H new ATOM 0 HG13 ILE A 29 8.877 -15.795 6.455 1.00 44.22 H new ATOM 0 HG21 ILE A 29 12.214 -14.888 7.823 1.00 34.02 H new ATOM 0 HG22 ILE A 29 11.931 -15.576 9.440 1.00 34.02 H new ATOM 0 HG23 ILE A 29 12.208 -16.653 8.050 1.00 34.02 H new ATOM 0 HD11 ILE A 29 10.312 -14.876 4.704 1.00 41.44 H new ATOM 0 HD12 ILE A 29 10.230 -13.763 6.090 1.00 41.44 H new ATOM 0 HD13 ILE A 29 11.672 -14.779 5.848 1.00 41.44 H new ATOM 275 N GLN A 30 9.802 -16.139 11.137 1.00 44.12 N ATOM 276 CA GLN A 30 10.309 -16.157 12.494 1.00 52.21 C ATOM 277 C GLN A 30 9.584 -17.188 13.380 1.00 35.20 C ATOM 278 O GLN A 30 10.201 -17.827 14.217 1.00 61.00 O ATOM 279 CB GLN A 30 10.213 -14.764 13.105 1.00 62.33 C ATOM 280 CG GLN A 30 11.013 -13.706 12.361 1.00 14.33 C ATOM 281 CD GLN A 30 10.922 -12.347 13.018 1.00 14.32 C ATOM 282 OE1 GLN A 30 10.046 -11.557 12.720 1.00 60.44 O ATOM 283 NE2 GLN A 30 11.831 -12.065 13.918 1.00 25.33 N ATOM 0 H GLN A 30 9.194 -15.349 10.924 1.00 44.12 H new ATOM 0 HA GLN A 30 11.355 -16.461 12.448 1.00 52.21 H new ATOM 0 HB2 GLN A 30 9.166 -14.461 13.132 1.00 62.33 H new ATOM 0 HB3 GLN A 30 10.559 -14.807 14.138 1.00 62.33 H new ATOM 0 HG2 GLN A 30 12.058 -14.013 12.311 1.00 14.33 H new ATOM 0 HG3 GLN A 30 10.652 -13.636 11.335 1.00 14.33 H new ATOM 0 HE21 GLN A 30 12.553 -12.749 14.146 1.00 25.33 H new ATOM 0 HE22 GLN A 30 11.817 -11.161 14.391 1.00 25.33 H new ATOM 292 N GLU A 31 8.292 -17.353 13.165 1.00 72.53 N ATOM 293 CA GLU A 31 7.456 -18.233 13.987 1.00 14.23 C ATOM 294 C GLU A 31 7.748 -19.710 13.694 1.00 72.54 C ATOM 295 O GLU A 31 7.680 -20.559 14.579 1.00 24.11 O ATOM 296 CB GLU A 31 5.980 -17.925 13.738 1.00 0.13 C ATOM 297 CG GLU A 31 5.037 -18.565 14.733 1.00 31.32 C ATOM 298 CD GLU A 31 3.600 -18.268 14.429 1.00 65.51 C ATOM 299 OE1 GLU A 31 3.080 -17.235 14.910 1.00 12.35 O ATOM 300 OE2 GLU A 31 2.971 -19.070 13.718 1.00 33.12 O ATOM 0 H GLU A 31 7.784 -16.883 12.416 1.00 72.53 H new ATOM 0 HA GLU A 31 7.691 -18.048 15.035 1.00 14.23 H new ATOM 0 HB2 GLU A 31 5.837 -16.845 13.762 1.00 0.13 H new ATOM 0 HB3 GLU A 31 5.715 -18.260 12.735 1.00 0.13 H new ATOM 0 HG2 GLU A 31 5.190 -19.644 14.733 1.00 31.32 H new ATOM 0 HG3 GLU A 31 5.275 -18.209 15.736 1.00 31.32 H new ATOM 307 N LEU A 32 8.054 -20.009 12.447 1.00 72.10 N ATOM 308 CA LEU A 32 8.416 -21.358 12.049 1.00 0.01 C ATOM 309 C LEU A 32 9.899 -21.615 12.298 1.00 4.11 C ATOM 310 O LEU A 32 10.371 -22.736 12.121 1.00 32.33 O ATOM 311 CB LEU A 32 8.091 -21.614 10.564 1.00 72.04 C ATOM 312 CG LEU A 32 6.623 -21.916 10.168 1.00 24.21 C ATOM 313 CD1 LEU A 32 5.650 -20.790 10.501 1.00 70.42 C ATOM 314 CD2 LEU A 32 6.560 -22.247 8.699 1.00 1.44 C ATOM 0 H LEU A 32 8.059 -19.331 11.685 1.00 72.10 H new ATOM 0 HA LEU A 32 7.825 -22.044 12.656 1.00 0.01 H new ATOM 0 HB2 LEU A 32 8.413 -20.739 9.999 1.00 72.04 H new ATOM 0 HB3 LEU A 32 8.703 -22.452 10.231 1.00 72.04 H new ATOM 0 HG LEU A 32 6.304 -22.769 10.767 1.00 24.21 H new ATOM 0 HD11 LEU A 32 4.644 -21.076 10.194 1.00 70.42 H new ATOM 0 HD12 LEU A 32 5.663 -20.604 11.575 1.00 70.42 H new ATOM 0 HD13 LEU A 32 5.947 -19.884 9.972 1.00 70.42 H new ATOM 0 HD21 LEU A 32 5.529 -22.460 8.418 1.00 1.44 H new ATOM 0 HD22 LEU A 32 6.927 -21.400 8.119 1.00 1.44 H new ATOM 0 HD23 LEU A 32 7.179 -23.121 8.496 1.00 1.44 H new ATOM 326 N ASN A 33 10.617 -20.554 12.708 1.00 41.41 N ATOM 327 CA ASN A 33 12.076 -20.591 12.962 1.00 62.33 C ATOM 328 C ASN A 33 12.789 -20.967 11.646 1.00 22.11 C ATOM 329 O ASN A 33 13.789 -21.694 11.612 1.00 5.01 O ATOM 330 CB ASN A 33 12.408 -21.591 14.110 1.00 74.25 C ATOM 331 CG ASN A 33 13.822 -21.435 14.695 1.00 3.41 C ATOM 332 OD1 ASN A 33 14.033 -20.696 15.649 1.00 14.43 O ATOM 333 ND2 ASN A 33 14.786 -22.119 14.136 1.00 71.34 N ATOM 0 H ASN A 33 10.201 -19.638 12.875 1.00 41.41 H new ATOM 0 HA ASN A 33 12.428 -19.613 13.289 1.00 62.33 H new ATOM 0 HB2 ASN A 33 11.680 -21.462 14.911 1.00 74.25 H new ATOM 0 HB3 ASN A 33 12.293 -22.608 13.735 1.00 74.25 H new ATOM 0 HD21 ASN A 33 15.738 -22.044 14.493 1.00 71.34 H new ATOM 0 HD22 ASN A 33 14.586 -22.728 13.343 1.00 71.34 H new ATOM 340 N LEU A 34 12.274 -20.430 10.570 1.00 41.43 N ATOM 341 CA LEU A 34 12.779 -20.697 9.256 1.00 31.30 C ATOM 342 C LEU A 34 13.488 -19.487 8.711 1.00 52.55 C ATOM 343 O LEU A 34 13.402 -18.398 9.265 1.00 50.42 O ATOM 344 CB LEU A 34 11.653 -21.156 8.309 1.00 24.50 C ATOM 345 CG LEU A 34 11.682 -22.633 7.908 1.00 22.43 C ATOM 346 CD1 LEU A 34 11.690 -23.535 9.124 1.00 22.42 C ATOM 347 CD2 LEU A 34 10.509 -22.965 7.003 1.00 71.32 C ATOM 0 H LEU A 34 11.482 -19.787 10.586 1.00 41.43 H new ATOM 0 HA LEU A 34 13.499 -21.512 9.326 1.00 31.30 H new ATOM 0 HB2 LEU A 34 10.695 -20.947 8.785 1.00 24.50 H new ATOM 0 HB3 LEU A 34 11.697 -20.552 7.403 1.00 24.50 H new ATOM 0 HG LEU A 34 12.606 -22.810 7.357 1.00 22.43 H new ATOM 0 HD11 LEU A 34 11.711 -24.577 8.804 1.00 22.42 H new ATOM 0 HD12 LEU A 34 12.572 -23.323 9.728 1.00 22.42 H new ATOM 0 HD13 LEU A 34 10.793 -23.355 9.716 1.00 22.42 H new ATOM 0 HD21 LEU A 34 10.548 -24.019 6.729 1.00 71.32 H new ATOM 0 HD22 LEU A 34 9.576 -22.760 7.527 1.00 71.32 H new ATOM 0 HD23 LEU A 34 10.560 -22.354 6.102 1.00 71.32 H new ATOM 359 N THR A 35 14.192 -19.671 7.643 1.00 64.35 N ATOM 360 CA THR A 35 14.915 -18.600 7.051 1.00 11.52 C ATOM 361 C THR A 35 14.157 -18.144 5.798 1.00 24.02 C ATOM 362 O THR A 35 13.395 -18.934 5.227 1.00 5.24 O ATOM 363 CB THR A 35 16.353 -19.066 6.705 1.00 73.44 C ATOM 364 OG1 THR A 35 16.302 -20.093 5.716 1.00 3.31 O ATOM 365 CG2 THR A 35 17.027 -19.633 7.949 1.00 23.41 C ATOM 0 H THR A 35 14.281 -20.565 7.160 1.00 64.35 H new ATOM 0 HA THR A 35 14.999 -17.761 7.742 1.00 11.52 H new ATOM 0 HB THR A 35 16.916 -18.211 6.331 1.00 73.44 H new ATOM 0 HG1 THR A 35 17.212 -20.384 5.499 1.00 3.31 H new ATOM 0 HG21 THR A 35 18.037 -19.959 7.699 1.00 23.41 H new ATOM 0 HG22 THR A 35 17.074 -18.864 8.720 1.00 23.41 H new ATOM 0 HG23 THR A 35 16.453 -20.483 8.319 1.00 23.41 H new ATOM 373 N PRO A 36 14.338 -16.883 5.341 1.00 51.13 N ATOM 374 CA PRO A 36 13.614 -16.342 4.159 1.00 32.41 C ATOM 375 C PRO A 36 13.905 -17.106 2.856 1.00 62.44 C ATOM 376 O PRO A 36 13.187 -16.974 1.883 1.00 34.53 O ATOM 377 CB PRO A 36 14.137 -14.901 4.048 1.00 64.52 C ATOM 378 CG PRO A 36 14.679 -14.580 5.398 1.00 24.22 C ATOM 379 CD PRO A 36 15.223 -15.866 5.942 1.00 53.13 C ATOM 0 HA PRO A 36 12.535 -16.424 4.292 1.00 32.41 H new ATOM 0 HB2 PRO A 36 14.910 -14.820 3.283 1.00 64.52 H new ATOM 0 HB3 PRO A 36 13.339 -14.212 3.769 1.00 64.52 H new ATOM 0 HG2 PRO A 36 15.460 -13.822 5.335 1.00 24.22 H new ATOM 0 HG3 PRO A 36 13.899 -14.181 6.047 1.00 24.22 H new ATOM 0 HD2 PRO A 36 16.264 -16.017 5.655 1.00 53.13 H new ATOM 0 HD3 PRO A 36 15.185 -15.891 7.031 1.00 53.13 H new ATOM 387 N GLN A 37 14.966 -17.882 2.855 1.00 11.53 N ATOM 388 CA GLN A 37 15.344 -18.653 1.678 1.00 44.14 C ATOM 389 C GLN A 37 14.863 -20.085 1.795 1.00 24.43 C ATOM 390 O GLN A 37 14.838 -20.819 0.817 1.00 4.14 O ATOM 391 CB GLN A 37 16.852 -18.605 1.471 1.00 54.34 C ATOM 392 CG GLN A 37 17.394 -17.206 1.219 1.00 32.43 C ATOM 393 CD GLN A 37 18.906 -17.171 1.137 1.00 74.20 C ATOM 394 OE1 GLN A 37 19.590 -17.956 1.767 1.00 44.40 O ATOM 395 NE2 GLN A 37 19.432 -16.259 0.361 1.00 34.44 N ATOM 0 H GLN A 37 15.588 -18.000 3.655 1.00 11.53 H new ATOM 0 HA GLN A 37 14.864 -18.206 0.807 1.00 44.14 H new ATOM 0 HB2 GLN A 37 17.343 -19.022 2.350 1.00 54.34 H new ATOM 0 HB3 GLN A 37 17.114 -19.243 0.627 1.00 54.34 H new ATOM 0 HG2 GLN A 37 16.975 -16.820 0.290 1.00 32.43 H new ATOM 0 HG3 GLN A 37 17.062 -16.543 2.018 1.00 32.43 H new ATOM 0 HE21 GLN A 37 18.829 -15.617 -0.153 1.00 34.44 H new ATOM 0 HE22 GLN A 37 20.446 -16.190 0.270 1.00 34.44 H new ATOM 404 N GLN A 38 14.487 -20.476 2.988 1.00 33.14 N ATOM 405 CA GLN A 38 14.010 -21.793 3.220 1.00 31.55 C ATOM 406 C GLN A 38 12.506 -21.773 3.135 1.00 32.42 C ATOM 407 O GLN A 38 11.877 -22.700 2.626 1.00 32.42 O ATOM 408 CB GLN A 38 14.453 -22.248 4.592 1.00 4.23 C ATOM 409 CG GLN A 38 14.114 -23.667 4.908 1.00 54.02 C ATOM 410 CD GLN A 38 14.577 -24.072 6.286 1.00 22.03 C ATOM 411 OE1 GLN A 38 15.551 -23.543 6.805 1.00 64.25 O ATOM 412 NE2 GLN A 38 13.897 -25.017 6.882 1.00 22.41 N ATOM 0 H GLN A 38 14.508 -19.882 3.817 1.00 33.14 H new ATOM 0 HA GLN A 38 14.409 -22.484 2.477 1.00 31.55 H new ATOM 0 HB2 GLN A 38 15.532 -22.118 4.674 1.00 4.23 H new ATOM 0 HB3 GLN A 38 13.996 -21.602 5.341 1.00 4.23 H new ATOM 0 HG2 GLN A 38 13.035 -23.806 4.834 1.00 54.02 H new ATOM 0 HG3 GLN A 38 14.571 -24.322 4.166 1.00 54.02 H new ATOM 0 HE21 GLN A 38 13.090 -25.435 6.418 1.00 22.41 H new ATOM 0 HE22 GLN A 38 14.173 -25.336 7.811 1.00 22.41 H new ATOM 421 N LEU A 39 11.923 -20.703 3.624 1.00 4.23 N ATOM 422 CA LEU A 39 10.516 -20.568 3.575 1.00 61.20 C ATOM 423 C LEU A 39 10.146 -19.863 2.285 1.00 74.33 C ATOM 424 O LEU A 39 10.039 -18.642 2.224 1.00 41.11 O ATOM 425 CB LEU A 39 9.962 -19.838 4.831 1.00 43.14 C ATOM 426 CG LEU A 39 8.464 -20.036 5.178 1.00 74.03 C ATOM 427 CD1 LEU A 39 8.172 -19.484 6.553 1.00 63.04 C ATOM 428 CD2 LEU A 39 7.553 -19.364 4.175 1.00 13.22 C ATOM 0 H LEU A 39 12.416 -19.922 4.057 1.00 4.23 H new ATOM 0 HA LEU A 39 10.052 -21.554 3.585 1.00 61.20 H new ATOM 0 HB2 LEU A 39 10.550 -20.157 5.691 1.00 43.14 H new ATOM 0 HB3 LEU A 39 10.138 -18.770 4.703 1.00 43.14 H new ATOM 0 HG LEU A 39 8.269 -21.108 5.151 1.00 74.03 H new ATOM 0 HD11 LEU A 39 7.117 -19.628 6.787 1.00 63.04 H new ATOM 0 HD12 LEU A 39 8.782 -20.005 7.291 1.00 63.04 H new ATOM 0 HD13 LEU A 39 8.406 -18.420 6.575 1.00 63.04 H new ATOM 0 HD21 LEU A 39 6.514 -19.530 4.459 1.00 13.22 H new ATOM 0 HD22 LEU A 39 7.758 -18.294 4.157 1.00 13.22 H new ATOM 0 HD23 LEU A 39 7.730 -19.784 3.185 1.00 13.22 H new ATOM 440 N HIS A 40 10.072 -20.646 1.245 1.00 1.33 N ATOM 441 CA HIS A 40 9.571 -20.194 -0.028 1.00 63.33 C ATOM 442 C HIS A 40 8.074 -20.073 0.135 1.00 1.15 C ATOM 443 O HIS A 40 7.498 -20.837 0.913 1.00 75.14 O ATOM 444 CB HIS A 40 9.897 -21.259 -1.100 1.00 33.42 C ATOM 445 CG HIS A 40 9.369 -20.971 -2.481 1.00 41.33 C ATOM 446 ND1 HIS A 40 8.460 -21.778 -3.139 1.00 1.33 N ATOM 447 CD2 HIS A 40 9.646 -19.955 -3.330 1.00 45.10 C ATOM 448 CE1 HIS A 40 8.221 -21.235 -4.337 1.00 4.21 C ATOM 449 NE2 HIS A 40 8.915 -20.128 -4.501 1.00 71.20 N ATOM 0 H HIS A 40 10.360 -21.625 1.255 1.00 1.33 H new ATOM 0 HA HIS A 40 10.015 -19.247 -0.334 1.00 63.33 H new ATOM 0 HB2 HIS A 40 10.980 -21.370 -1.160 1.00 33.42 H new ATOM 0 HB3 HIS A 40 9.496 -22.217 -0.769 1.00 33.42 H new ATOM 0 HD2 HIS A 40 10.326 -19.140 -3.131 1.00 45.10 H new ATOM 0 HE1 HIS A 40 7.548 -21.649 -5.073 1.00 4.21 H new ATOM 0 HE2 HIS A 40 8.916 -19.521 -5.320 1.00 71.20 H new ATOM 457 N GLU A 41 7.444 -19.145 -0.572 1.00 2.44 N ATOM 458 CA GLU A 41 6.009 -18.932 -0.433 1.00 23.02 C ATOM 459 C GLU A 41 5.203 -20.218 -0.612 1.00 15.20 C ATOM 460 O GLU A 41 4.331 -20.510 0.192 1.00 13.55 O ATOM 461 CB GLU A 41 5.490 -17.810 -1.340 1.00 1.24 C ATOM 462 CG GLU A 41 6.071 -16.441 -1.006 1.00 24.40 C ATOM 463 CD GLU A 41 5.278 -15.299 -1.611 1.00 31.41 C ATOM 464 OE1 GLU A 41 4.273 -14.886 -0.999 1.00 54.25 O ATOM 465 OE2 GLU A 41 5.645 -14.786 -2.673 1.00 45.23 O ATOM 0 H GLU A 41 7.901 -18.530 -1.245 1.00 2.44 H new ATOM 0 HA GLU A 41 5.857 -18.605 0.596 1.00 23.02 H new ATOM 0 HB2 GLU A 41 5.725 -18.053 -2.376 1.00 1.24 H new ATOM 0 HB3 GLU A 41 4.404 -17.764 -1.262 1.00 1.24 H new ATOM 0 HG2 GLU A 41 6.104 -16.320 0.077 1.00 24.40 H new ATOM 0 HG3 GLU A 41 7.100 -16.392 -1.363 1.00 24.40 H new ATOM 472 N GLU A 42 5.565 -21.026 -1.592 1.00 71.14 N ATOM 473 CA GLU A 42 4.828 -22.258 -1.843 1.00 43.15 C ATOM 474 C GLU A 42 5.327 -23.458 -1.043 1.00 75.32 C ATOM 475 O GLU A 42 5.153 -24.607 -1.444 1.00 42.51 O ATOM 476 CB GLU A 42 4.697 -22.559 -3.337 1.00 41.01 C ATOM 477 CG GLU A 42 3.848 -21.526 -4.064 1.00 73.50 C ATOM 478 CD GLU A 42 2.510 -21.302 -3.368 1.00 63.52 C ATOM 479 OE1 GLU A 42 2.467 -20.498 -2.421 1.00 54.52 O ATOM 480 OE2 GLU A 42 1.510 -21.925 -3.739 1.00 32.32 O ATOM 0 H GLU A 42 6.351 -20.859 -2.220 1.00 71.14 H new ATOM 0 HA GLU A 42 3.822 -22.073 -1.466 1.00 43.15 H new ATOM 0 HB2 GLU A 42 5.689 -22.591 -3.787 1.00 41.01 H new ATOM 0 HB3 GLU A 42 4.255 -23.547 -3.469 1.00 41.01 H new ATOM 0 HG2 GLU A 42 4.391 -20.583 -4.119 1.00 73.50 H new ATOM 0 HG3 GLU A 42 3.674 -21.854 -5.089 1.00 73.50 H new ATOM 487 N SER A 43 5.935 -23.200 0.081 1.00 72.45 N ATOM 488 CA SER A 43 6.269 -24.260 0.988 1.00 13.32 C ATOM 489 C SER A 43 5.051 -24.491 1.881 1.00 24.21 C ATOM 490 O SER A 43 4.475 -23.527 2.395 1.00 41.50 O ATOM 491 CB SER A 43 7.468 -23.862 1.841 1.00 42.15 C ATOM 492 OG SER A 43 8.514 -23.370 1.025 1.00 4.15 O ATOM 0 H SER A 43 6.208 -22.267 0.390 1.00 72.45 H new ATOM 0 HA SER A 43 6.529 -25.167 0.441 1.00 13.32 H new ATOM 0 HB2 SER A 43 7.172 -23.100 2.562 1.00 42.15 H new ATOM 0 HB3 SER A 43 7.818 -24.722 2.412 1.00 42.15 H new ATOM 0 HG SER A 43 8.362 -22.421 0.835 1.00 4.15 H new ATOM 498 N ASN A 44 4.629 -25.744 2.020 1.00 21.35 N ATOM 499 CA ASN A 44 3.489 -26.084 2.881 1.00 62.43 C ATOM 500 C ASN A 44 3.814 -25.659 4.303 1.00 21.23 C ATOM 501 O ASN A 44 4.697 -26.227 4.922 1.00 55.33 O ATOM 502 CB ASN A 44 3.210 -27.601 2.855 1.00 30.31 C ATOM 503 CG ASN A 44 1.934 -28.017 3.618 1.00 40.41 C ATOM 504 OD1 ASN A 44 1.545 -27.414 4.615 1.00 54.11 O ATOM 505 ND2 ASN A 44 1.278 -29.051 3.147 1.00 13.24 N ATOM 0 H ASN A 44 5.055 -26.543 1.551 1.00 21.35 H new ATOM 0 HA ASN A 44 2.602 -25.566 2.516 1.00 62.43 H new ATOM 0 HB2 ASN A 44 3.124 -27.927 1.818 1.00 30.31 H new ATOM 0 HB3 ASN A 44 4.064 -28.125 3.284 1.00 30.31 H new ATOM 0 HD21 ASN A 44 0.427 -29.369 3.610 1.00 13.24 H new ATOM 0 HD22 ASN A 44 1.619 -29.537 2.318 1.00 13.24 H new ATOM 512 N LEU A 45 3.091 -24.681 4.806 1.00 42.34 N ATOM 513 CA LEU A 45 3.375 -24.104 6.117 1.00 31.00 C ATOM 514 C LEU A 45 3.128 -25.078 7.240 1.00 44.33 C ATOM 515 O LEU A 45 3.891 -25.127 8.198 1.00 13.04 O ATOM 516 CB LEU A 45 2.558 -22.848 6.334 1.00 54.04 C ATOM 517 CG LEU A 45 2.774 -21.745 5.318 1.00 55.35 C ATOM 518 CD1 LEU A 45 1.895 -20.562 5.652 1.00 12.31 C ATOM 519 CD2 LEU A 45 4.243 -21.332 5.269 1.00 72.34 C ATOM 0 H LEU A 45 2.294 -24.261 4.327 1.00 42.34 H new ATOM 0 HA LEU A 45 4.436 -23.854 6.128 1.00 31.00 H new ATOM 0 HB2 LEU A 45 1.502 -23.118 6.332 1.00 54.04 H new ATOM 0 HB3 LEU A 45 2.785 -22.455 7.325 1.00 54.04 H new ATOM 0 HG LEU A 45 2.501 -22.119 4.331 1.00 55.35 H new ATOM 0 HD11 LEU A 45 2.054 -19.772 4.918 1.00 12.31 H new ATOM 0 HD12 LEU A 45 0.849 -20.869 5.633 1.00 12.31 H new ATOM 0 HD13 LEU A 45 2.147 -20.191 6.645 1.00 12.31 H new ATOM 0 HD21 LEU A 45 4.374 -20.539 4.533 1.00 72.34 H new ATOM 0 HD22 LEU A 45 4.552 -20.971 6.250 1.00 72.34 H new ATOM 0 HD23 LEU A 45 4.853 -22.191 4.989 1.00 72.34 H new ATOM 531 N ILE A 46 2.087 -25.865 7.106 1.00 23.52 N ATOM 532 CA ILE A 46 1.726 -26.847 8.130 1.00 33.04 C ATOM 533 C ILE A 46 2.830 -27.893 8.226 1.00 23.21 C ATOM 534 O ILE A 46 3.267 -28.274 9.305 1.00 74.25 O ATOM 535 CB ILE A 46 0.367 -27.526 7.801 1.00 43.42 C ATOM 536 CG1 ILE A 46 -0.725 -26.452 7.646 1.00 72.31 C ATOM 537 CG2 ILE A 46 -0.017 -28.538 8.889 1.00 63.44 C ATOM 538 CD1 ILE A 46 -2.099 -26.999 7.307 1.00 73.41 C ATOM 0 H ILE A 46 1.465 -25.853 6.298 1.00 23.52 H new ATOM 0 HA ILE A 46 1.617 -26.337 9.087 1.00 33.04 H new ATOM 0 HB ILE A 46 0.465 -28.070 6.862 1.00 43.42 H new ATOM 0 HG12 ILE A 46 -0.792 -25.883 8.574 1.00 72.31 H new ATOM 0 HG13 ILE A 46 -0.423 -25.754 6.865 1.00 72.31 H new ATOM 0 HG21 ILE A 46 -0.971 -29.000 8.636 1.00 63.44 H new ATOM 0 HG22 ILE A 46 0.752 -29.308 8.957 1.00 63.44 H new ATOM 0 HG23 ILE A 46 -0.104 -28.026 9.847 1.00 63.44 H new ATOM 0 HD11 ILE A 46 -2.807 -26.175 7.216 1.00 73.41 H new ATOM 0 HD12 ILE A 46 -2.052 -27.542 6.363 1.00 73.41 H new ATOM 0 HD13 ILE A 46 -2.427 -27.674 8.098 1.00 73.41 H new ATOM 550 N GLN A 47 3.324 -28.259 7.072 1.00 54.34 N ATOM 551 CA GLN A 47 4.399 -29.220 6.929 1.00 14.51 C ATOM 552 C GLN A 47 5.771 -28.610 7.235 1.00 14.33 C ATOM 553 O GLN A 47 6.767 -29.322 7.297 1.00 44.30 O ATOM 554 CB GLN A 47 4.359 -29.822 5.523 1.00 1.30 C ATOM 555 CG GLN A 47 3.328 -30.924 5.334 1.00 44.34 C ATOM 556 CD GLN A 47 3.534 -32.119 6.260 1.00 41.22 C ATOM 557 OE1 GLN A 47 4.767 -32.396 6.633 1.00 40.22 O flip ATOM 558 NE2 GLN A 47 2.588 -32.787 6.630 1.00 62.31 N flip ATOM 0 H GLN A 47 2.986 -27.892 6.182 1.00 54.34 H new ATOM 0 HA GLN A 47 4.248 -30.011 7.664 1.00 14.51 H new ATOM 0 HB2 GLN A 47 4.156 -29.026 4.807 1.00 1.30 H new ATOM 0 HB3 GLN A 47 5.345 -30.221 5.285 1.00 1.30 H new ATOM 0 HG2 GLN A 47 2.333 -30.512 5.502 1.00 44.34 H new ATOM 0 HG3 GLN A 47 3.360 -31.267 4.300 1.00 44.34 H new ATOM 0 HE21 GLN A 47 1.645 -32.548 6.325 1.00 62.31 H new ATOM 0 HE22 GLN A 47 2.738 -33.586 7.246 1.00 62.31 H new ATOM 567 N ALA A 48 5.814 -27.300 7.377 1.00 30.01 N ATOM 568 CA ALA A 48 7.045 -26.597 7.679 1.00 51.22 C ATOM 569 C ALA A 48 7.158 -26.315 9.178 1.00 4.35 C ATOM 570 O ALA A 48 8.228 -26.451 9.757 1.00 55.12 O ATOM 571 CB ALA A 48 7.138 -25.304 6.869 1.00 5.50 C ATOM 0 H ALA A 48 4.998 -26.694 7.287 1.00 30.01 H new ATOM 0 HA ALA A 48 7.882 -27.235 7.396 1.00 51.22 H new ATOM 0 HB1 ALA A 48 8.069 -24.790 7.109 1.00 5.50 H new ATOM 0 HB2 ALA A 48 7.118 -25.539 5.805 1.00 5.50 H new ATOM 0 HB3 ALA A 48 6.294 -24.659 7.114 1.00 5.50 H new ATOM 577 N GLY A 49 6.053 -25.917 9.799 1.00 53.45 N ATOM 578 CA GLY A 49 6.074 -25.662 11.224 1.00 50.40 C ATOM 579 C GLY A 49 4.920 -24.795 11.686 1.00 34.23 C ATOM 580 O GLY A 49 5.114 -23.825 12.425 1.00 32.14 O ATOM 0 H GLY A 49 5.152 -25.768 9.345 1.00 53.45 H new ATOM 0 HA2 GLY A 49 6.045 -26.612 11.758 1.00 50.40 H new ATOM 0 HA3 GLY A 49 7.014 -25.177 11.487 1.00 50.40 H new ATOM 584 N LEU A 50 3.727 -25.158 11.288 1.00 45.54 N ATOM 585 CA LEU A 50 2.505 -24.431 11.620 1.00 41.55 C ATOM 586 C LEU A 50 1.470 -25.465 11.925 1.00 63.24 C ATOM 587 O LEU A 50 1.323 -26.414 11.173 1.00 30.34 O ATOM 588 CB LEU A 50 2.062 -23.597 10.400 1.00 15.32 C ATOM 589 CG LEU A 50 0.904 -22.618 10.601 1.00 11.23 C ATOM 590 CD1 LEU A 50 1.342 -21.444 11.454 1.00 61.14 C ATOM 591 CD2 LEU A 50 0.367 -22.137 9.265 1.00 42.02 C ATOM 0 H LEU A 50 3.563 -25.983 10.711 1.00 45.54 H new ATOM 0 HA LEU A 50 2.653 -23.758 12.464 1.00 41.55 H new ATOM 0 HB2 LEU A 50 2.924 -23.031 10.047 1.00 15.32 H new ATOM 0 HB3 LEU A 50 1.786 -24.287 9.603 1.00 15.32 H new ATOM 0 HG LEU A 50 0.102 -23.141 11.121 1.00 11.23 H new ATOM 0 HD11 LEU A 50 0.505 -20.758 11.586 1.00 61.14 H new ATOM 0 HD12 LEU A 50 1.673 -21.805 12.428 1.00 61.14 H new ATOM 0 HD13 LEU A 50 2.164 -20.923 10.962 1.00 61.14 H new ATOM 0 HD21 LEU A 50 -0.456 -21.442 9.433 1.00 42.02 H new ATOM 0 HD22 LEU A 50 1.161 -21.633 8.714 1.00 42.02 H new ATOM 0 HD23 LEU A 50 0.010 -22.990 8.688 1.00 42.02 H new ATOM 603 N ASP A 51 0.793 -25.324 13.030 1.00 50.33 N ATOM 604 CA ASP A 51 -0.215 -26.252 13.384 1.00 62.35 C ATOM 605 C ASP A 51 -1.497 -25.743 12.839 1.00 33.21 C ATOM 606 O ASP A 51 -1.631 -24.533 12.653 1.00 41.10 O ATOM 607 CB ASP A 51 -0.310 -26.429 14.922 1.00 1.11 C ATOM 608 CG ASP A 51 -0.518 -25.121 15.680 1.00 43.13 C ATOM 609 OD1 ASP A 51 0.490 -24.436 15.974 1.00 35.04 O ATOM 610 OD2 ASP A 51 -1.671 -24.744 15.982 1.00 3.30 O ATOM 0 H ASP A 51 0.931 -24.566 13.698 1.00 50.33 H new ATOM 0 HA ASP A 51 0.021 -27.232 12.970 1.00 62.35 H new ATOM 0 HB2 ASP A 51 -1.134 -27.106 15.150 1.00 1.11 H new ATOM 0 HB3 ASP A 51 0.603 -26.905 15.281 1.00 1.11 H new ATOM 667 N ILE A 53 -4.481 -25.343 14.005 1.00 43.25 N ATOM 668 CA ILE A 53 -5.004 -24.329 14.901 1.00 33.44 C ATOM 669 C ILE A 53 -4.294 -22.941 14.746 1.00 1.40 C ATOM 670 O ILE A 53 -4.942 -21.904 14.871 1.00 20.34 O ATOM 671 CB ILE A 53 -4.899 -24.837 16.360 1.00 70.45 C ATOM 672 CG1 ILE A 53 -5.727 -26.130 16.539 1.00 14.22 C ATOM 673 CG2 ILE A 53 -5.351 -23.776 17.372 1.00 73.20 C ATOM 674 CD1 ILE A 53 -7.228 -25.977 16.229 1.00 43.31 C ATOM 0 HA ILE A 53 -6.047 -24.162 14.634 1.00 33.44 H new ATOM 0 HB ILE A 53 -3.848 -25.051 16.555 1.00 70.45 H new ATOM 0 HG12 ILE A 53 -5.313 -26.904 15.893 1.00 14.22 H new ATOM 0 HG13 ILE A 53 -5.615 -26.479 17.566 1.00 14.22 H new ATOM 0 HG21 ILE A 53 -5.261 -24.175 18.382 1.00 73.20 H new ATOM 0 HG22 ILE A 53 -4.724 -22.890 17.275 1.00 73.20 H new ATOM 0 HG23 ILE A 53 -6.390 -23.508 17.179 1.00 73.20 H new ATOM 0 HD11 ILE A 53 -7.730 -26.932 16.381 1.00 43.31 H new ATOM 0 HD12 ILE A 53 -7.662 -25.229 16.893 1.00 43.31 H new ATOM 0 HD13 ILE A 53 -7.355 -25.661 15.194 1.00 43.31 H new ATOM 686 N ARG A 54 -2.976 -22.902 14.477 1.00 75.44 N ATOM 687 CA ARG A 54 -2.294 -21.638 14.238 1.00 61.25 C ATOM 688 C ARG A 54 -2.735 -21.009 12.964 1.00 43.31 C ATOM 689 O ARG A 54 -2.837 -19.803 12.871 1.00 32.20 O ATOM 690 CB ARG A 54 -0.820 -21.773 14.244 1.00 24.33 C ATOM 691 CG ARG A 54 -0.239 -21.140 15.455 1.00 22.34 C ATOM 692 CD ARG A 54 1.214 -21.025 15.334 1.00 1.12 C ATOM 693 NE ARG A 54 1.861 -22.327 15.261 1.00 41.25 N ATOM 694 CZ ARG A 54 3.033 -22.570 14.693 1.00 51.24 C ATOM 695 NH1 ARG A 54 3.691 -21.610 14.045 1.00 11.33 N ATOM 696 NH2 ARG A 54 3.534 -23.795 14.745 1.00 1.32 N ATOM 0 H ARG A 54 -2.377 -23.726 14.422 1.00 75.44 H new ATOM 0 HA ARG A 54 -2.573 -20.990 15.069 1.00 61.25 H new ATOM 0 HB2 ARG A 54 -0.546 -22.828 14.212 1.00 24.33 H new ATOM 0 HB3 ARG A 54 -0.404 -21.309 13.350 1.00 24.33 H new ATOM 0 HG2 ARG A 54 -0.676 -20.152 15.600 1.00 22.34 H new ATOM 0 HG3 ARG A 54 -0.490 -21.731 16.336 1.00 22.34 H new ATOM 0 HD2 ARG A 54 1.459 -20.448 14.442 1.00 1.12 H new ATOM 0 HD3 ARG A 54 1.606 -20.473 16.188 1.00 1.12 H new ATOM 0 HE ARG A 54 1.372 -23.117 15.682 1.00 41.25 H new ATOM 0 HH11 ARG A 54 3.293 -20.673 13.981 1.00 11.33 H new ATOM 0 HH12 ARG A 54 4.592 -21.812 13.613 1.00 11.33 H new ATOM 0 HH21 ARG A 54 3.018 -24.537 15.218 1.00 1.32 H new ATOM 0 HH22 ARG A 54 4.435 -23.996 14.312 1.00 1.32 H new ATOM 710 N LEU A 55 -3.048 -21.827 12.010 1.00 74.32 N ATOM 711 CA LEU A 55 -3.553 -21.376 10.752 1.00 43.44 C ATOM 712 C LEU A 55 -4.970 -20.864 10.929 1.00 43.31 C ATOM 713 O LEU A 55 -5.355 -19.881 10.310 1.00 41.14 O ATOM 714 CB LEU A 55 -3.464 -22.484 9.713 1.00 64.43 C ATOM 715 CG LEU A 55 -3.800 -22.105 8.277 1.00 23.31 C ATOM 716 CD1 LEU A 55 -3.204 -23.099 7.376 1.00 21.04 C ATOM 717 CD2 LEU A 55 -5.283 -22.073 8.032 1.00 53.34 C ATOM 0 H LEU A 55 -2.959 -22.840 12.084 1.00 74.32 H new ATOM 0 HA LEU A 55 -2.943 -20.551 10.385 1.00 43.44 H new ATOM 0 HB2 LEU A 55 -2.451 -22.886 9.730 1.00 64.43 H new ATOM 0 HB3 LEU A 55 -4.132 -23.290 10.017 1.00 64.43 H new ATOM 0 HG LEU A 55 -3.403 -21.107 8.093 1.00 23.31 H new ATOM 0 HD11 LEU A 55 -3.437 -22.840 6.343 1.00 21.04 H new ATOM 0 HD12 LEU A 55 -2.123 -23.111 7.512 1.00 21.04 H new ATOM 0 HD13 LEU A 55 -3.609 -24.085 7.603 1.00 21.04 H new ATOM 0 HD21 LEU A 55 -5.475 -21.798 6.995 1.00 53.34 H new ATOM 0 HD22 LEU A 55 -5.706 -23.058 8.230 1.00 53.34 H new ATOM 0 HD23 LEU A 55 -5.745 -21.340 8.693 1.00 53.34 H new ATOM 729 N MET A 56 -5.755 -21.516 11.774 1.00 11.00 N ATOM 730 CA MET A 56 -7.074 -20.975 12.088 1.00 31.11 C ATOM 731 C MET A 56 -6.906 -19.650 12.774 1.00 33.42 C ATOM 732 O MET A 56 -7.656 -18.707 12.538 1.00 63.13 O ATOM 733 CB MET A 56 -7.896 -21.874 12.975 1.00 2.43 C ATOM 734 CG MET A 56 -9.241 -21.232 13.354 1.00 53.54 C ATOM 735 SD MET A 56 -9.874 -21.830 14.897 1.00 24.31 S ATOM 736 CE MET A 56 -8.464 -21.438 15.910 1.00 23.14 C ATOM 0 H MET A 56 -5.516 -22.390 12.242 1.00 11.00 H new ATOM 0 HA MET A 56 -7.609 -20.879 11.143 1.00 31.11 H new ATOM 0 HB2 MET A 56 -8.076 -22.820 12.465 1.00 2.43 H new ATOM 0 HB3 MET A 56 -7.334 -22.102 13.881 1.00 2.43 H new ATOM 0 HG2 MET A 56 -9.119 -20.150 13.411 1.00 53.54 H new ATOM 0 HG3 MET A 56 -9.968 -21.430 12.567 1.00 53.54 H new ATOM 0 HE1 MET A 56 -8.790 -21.260 16.935 1.00 23.14 H new ATOM 0 HE2 MET A 56 -7.761 -22.271 15.893 1.00 23.14 H new ATOM 0 HE3 MET A 56 -7.976 -20.543 15.524 1.00 23.14 H new ATOM 746 N ARG A 57 -5.899 -19.580 13.604 1.00 54.42 N ATOM 747 CA ARG A 57 -5.557 -18.376 14.254 1.00 41.44 C ATOM 748 C ARG A 57 -5.116 -17.295 13.233 1.00 35.33 C ATOM 749 O ARG A 57 -5.250 -16.098 13.487 1.00 43.13 O ATOM 750 CB ARG A 57 -4.537 -18.636 15.310 1.00 13.15 C ATOM 751 CG ARG A 57 -5.192 -19.263 16.522 1.00 34.15 C ATOM 752 CD ARG A 57 -4.204 -19.641 17.565 1.00 71.51 C ATOM 753 NE ARG A 57 -3.473 -20.898 17.247 1.00 31.52 N ATOM 754 CZ ARG A 57 -2.595 -21.538 18.070 1.00 2.53 C ATOM 755 NH1 ARG A 57 -2.285 -21.008 19.259 1.00 70.21 N ATOM 756 NH2 ARG A 57 -2.040 -22.712 17.706 1.00 12.31 N ATOM 0 H ARG A 57 -5.299 -20.371 13.839 1.00 54.42 H new ATOM 0 HA ARG A 57 -6.439 -17.974 14.753 1.00 41.44 H new ATOM 0 HB2 ARG A 57 -3.762 -19.297 14.923 1.00 13.15 H new ATOM 0 HB3 ARG A 57 -4.049 -17.703 15.592 1.00 13.15 H new ATOM 0 HG2 ARG A 57 -5.914 -18.564 16.945 1.00 34.15 H new ATOM 0 HG3 ARG A 57 -5.749 -20.148 16.214 1.00 34.15 H new ATOM 0 HD2 ARG A 57 -3.485 -18.831 17.687 1.00 71.51 H new ATOM 0 HD3 ARG A 57 -4.718 -19.758 18.519 1.00 71.51 H new ATOM 0 HE ARG A 57 -3.644 -21.317 16.333 1.00 31.52 H new ATOM 0 HH11 ARG A 57 -2.706 -20.125 19.549 1.00 70.21 H new ATOM 0 HH12 ARG A 57 -1.628 -21.487 19.875 1.00 70.21 H new ATOM 0 HH21 ARG A 57 -2.276 -23.130 16.806 1.00 12.31 H new ATOM 0 HH22 ARG A 57 -1.384 -23.181 18.330 1.00 12.31 H new ATOM 770 N TRP A 58 -4.611 -17.744 12.056 1.00 33.32 N ATOM 771 CA TRP A 58 -4.314 -16.844 10.948 1.00 31.13 C ATOM 772 C TRP A 58 -5.587 -16.437 10.234 1.00 41.43 C ATOM 773 O TRP A 58 -5.720 -15.310 9.817 1.00 11.04 O ATOM 774 CB TRP A 58 -3.330 -17.446 9.932 1.00 44.24 C ATOM 775 CG TRP A 58 -1.908 -17.446 10.376 1.00 30.22 C ATOM 776 CD1 TRP A 58 -1.076 -18.523 10.512 1.00 11.42 C ATOM 777 CD2 TRP A 58 -1.140 -16.292 10.725 1.00 45.21 C ATOM 778 NE1 TRP A 58 0.166 -18.096 10.938 1.00 51.30 N ATOM 779 CE2 TRP A 58 0.149 -16.729 11.069 1.00 33.24 C ATOM 780 CE3 TRP A 58 -1.427 -14.923 10.776 1.00 21.01 C ATOM 781 CZ2 TRP A 58 1.154 -15.839 11.457 1.00 44.13 C ATOM 782 CZ3 TRP A 58 -0.437 -14.052 11.157 1.00 21.54 C ATOM 783 CH2 TRP A 58 0.835 -14.511 11.490 1.00 15.43 C ATOM 0 H TRP A 58 -4.406 -18.725 11.865 1.00 33.32 H new ATOM 0 HA TRP A 58 -3.837 -15.969 11.388 1.00 31.13 H new ATOM 0 HB2 TRP A 58 -3.631 -18.472 9.718 1.00 44.24 H new ATOM 0 HB3 TRP A 58 -3.406 -16.890 8.998 1.00 44.24 H new ATOM 0 HD1 TRP A 58 -1.349 -19.550 10.316 1.00 11.42 H new ATOM 0 HE1 TRP A 58 0.967 -18.699 11.125 1.00 51.30 H new ATOM 0 HE3 TRP A 58 -2.411 -14.558 10.520 1.00 21.01 H new ATOM 0 HZ2 TRP A 58 2.142 -16.187 11.720 1.00 44.13 H new ATOM 0 HZ3 TRP A 58 -0.648 -12.994 11.199 1.00 21.54 H new ATOM 0 HH2 TRP A 58 1.591 -13.797 11.783 1.00 15.43 H new ATOM 794 N LEU A 59 -6.530 -17.366 10.105 1.00 32.42 N ATOM 795 CA LEU A 59 -7.832 -17.078 9.488 1.00 11.54 C ATOM 796 C LEU A 59 -8.541 -16.032 10.330 1.00 3.12 C ATOM 797 O LEU A 59 -9.193 -15.114 9.807 1.00 2.25 O ATOM 798 CB LEU A 59 -8.664 -18.387 9.338 1.00 63.32 C ATOM 799 CG LEU A 59 -9.946 -18.348 8.464 1.00 1.13 C ATOM 800 CD1 LEU A 59 -11.109 -17.672 9.164 1.00 73.52 C ATOM 801 CD2 LEU A 59 -9.664 -17.673 7.126 1.00 13.42 C ATOM 0 H LEU A 59 -6.421 -18.330 10.419 1.00 32.42 H new ATOM 0 HA LEU A 59 -7.701 -16.680 8.482 1.00 11.54 H new ATOM 0 HB2 LEU A 59 -8.006 -19.154 8.929 1.00 63.32 H new ATOM 0 HB3 LEU A 59 -8.953 -18.714 10.337 1.00 63.32 H new ATOM 0 HG LEU A 59 -10.239 -19.383 8.287 1.00 1.13 H new ATOM 0 HD11 LEU A 59 -11.979 -17.673 8.507 1.00 73.52 H new ATOM 0 HD12 LEU A 59 -11.346 -18.212 10.081 1.00 73.52 H new ATOM 0 HD13 LEU A 59 -10.839 -16.644 9.408 1.00 73.52 H new ATOM 0 HD21 LEU A 59 -10.575 -17.656 6.528 1.00 13.42 H new ATOM 0 HD22 LEU A 59 -9.323 -16.652 7.298 1.00 13.42 H new ATOM 0 HD23 LEU A 59 -8.891 -18.228 6.594 1.00 13.42 H new ATOM 813 N HIS A 60 -8.368 -16.170 11.626 1.00 1.31 N ATOM 814 CA HIS A 60 -8.838 -15.219 12.602 1.00 54.40 C ATOM 815 C HIS A 60 -8.221 -13.848 12.295 1.00 14.20 C ATOM 816 O HIS A 60 -8.907 -12.832 12.274 1.00 71.41 O ATOM 817 CB HIS A 60 -8.412 -15.704 14.002 1.00 1.44 C ATOM 818 CG HIS A 60 -8.791 -14.799 15.123 1.00 33.42 C ATOM 819 ND1 HIS A 60 -7.887 -14.118 15.907 1.00 60.44 N ATOM 820 CD2 HIS A 60 -10.001 -14.487 15.591 1.00 70.45 C ATOM 821 CE1 HIS A 60 -8.578 -13.423 16.815 1.00 24.24 C ATOM 822 NE2 HIS A 60 -9.871 -13.611 16.665 1.00 1.51 N ATOM 0 H HIS A 60 -7.884 -16.968 12.038 1.00 1.31 H new ATOM 0 HA HIS A 60 -9.924 -15.132 12.569 1.00 54.40 H new ATOM 0 HB2 HIS A 60 -8.854 -16.684 14.181 1.00 1.44 H new ATOM 0 HB3 HIS A 60 -7.330 -15.836 14.011 1.00 1.44 H new ATOM 0 HD2 HIS A 60 -10.936 -14.857 15.198 1.00 70.45 H new ATOM 0 HE1 HIS A 60 -8.134 -12.792 17.571 1.00 24.24 H new ATOM 0 HE2 HIS A 60 -10.622 -13.201 17.220 1.00 1.51 H new ATOM 830 N TRP A 61 -6.932 -13.853 12.018 1.00 43.24 N ATOM 831 CA TRP A 61 -6.199 -12.661 11.685 1.00 14.05 C ATOM 832 C TRP A 61 -6.707 -12.066 10.357 1.00 62.50 C ATOM 833 O TRP A 61 -6.970 -10.868 10.296 1.00 21.32 O ATOM 834 CB TRP A 61 -4.688 -12.969 11.642 1.00 4.42 C ATOM 835 CG TRP A 61 -3.795 -11.795 11.353 1.00 65.45 C ATOM 836 CD1 TRP A 61 -3.364 -10.850 12.239 1.00 0.13 C ATOM 837 CD2 TRP A 61 -3.189 -11.468 10.095 1.00 10.11 C ATOM 838 NE1 TRP A 61 -2.552 -9.943 11.604 1.00 1.32 N ATOM 839 CE2 TRP A 61 -2.423 -10.307 10.287 1.00 20.20 C ATOM 840 CE3 TRP A 61 -3.226 -12.044 8.824 1.00 41.42 C ATOM 841 CZ2 TRP A 61 -1.700 -9.711 9.258 1.00 2.31 C ATOM 842 CZ3 TRP A 61 -2.506 -11.451 7.807 1.00 4.11 C ATOM 843 CH2 TRP A 61 -1.755 -10.300 8.029 1.00 43.23 C ATOM 0 H TRP A 61 -6.363 -14.699 12.020 1.00 43.24 H new ATOM 0 HA TRP A 61 -6.363 -11.908 12.456 1.00 14.05 H new ATOM 0 HB2 TRP A 61 -4.395 -13.398 12.600 1.00 4.42 H new ATOM 0 HB3 TRP A 61 -4.512 -13.732 10.884 1.00 4.42 H new ATOM 0 HD1 TRP A 61 -3.624 -10.820 13.287 1.00 0.13 H new ATOM 0 HE1 TRP A 61 -2.116 -9.131 12.040 1.00 1.32 H new ATOM 0 HE3 TRP A 61 -3.807 -12.936 8.640 1.00 41.42 H new ATOM 0 HZ2 TRP A 61 -1.118 -8.817 9.426 1.00 2.31 H new ATOM 0 HZ3 TRP A 61 -2.525 -11.888 6.820 1.00 4.11 H new ATOM 0 HH2 TRP A 61 -1.203 -9.864 7.209 1.00 43.23 H new ATOM 854 N PHE A 62 -6.879 -12.917 9.337 1.00 41.45 N ATOM 855 CA PHE A 62 -7.367 -12.497 8.008 1.00 60.44 C ATOM 856 C PHE A 62 -8.745 -11.864 8.068 1.00 62.34 C ATOM 857 O PHE A 62 -8.946 -10.773 7.550 1.00 15.31 O ATOM 858 CB PHE A 62 -7.393 -13.655 6.988 1.00 33.30 C ATOM 859 CG PHE A 62 -6.048 -14.177 6.585 1.00 23.03 C ATOM 860 CD1 PHE A 62 -5.118 -13.344 6.011 1.00 73.40 C ATOM 861 CD2 PHE A 62 -5.715 -15.502 6.778 1.00 44.42 C ATOM 862 CE1 PHE A 62 -3.881 -13.829 5.640 1.00 32.41 C ATOM 863 CE2 PHE A 62 -4.488 -15.986 6.412 1.00 2.01 C ATOM 864 CZ PHE A 62 -3.571 -15.153 5.843 1.00 31.20 C ATOM 0 H PHE A 62 -6.685 -13.916 9.405 1.00 41.45 H new ATOM 0 HA PHE A 62 -6.648 -11.750 7.671 1.00 60.44 H new ATOM 0 HB2 PHE A 62 -7.973 -14.476 7.409 1.00 33.30 H new ATOM 0 HB3 PHE A 62 -7.918 -13.319 6.094 1.00 33.30 H new ATOM 0 HD1 PHE A 62 -5.357 -12.303 5.849 1.00 73.40 H new ATOM 0 HD2 PHE A 62 -6.436 -16.170 7.226 1.00 44.42 H new ATOM 0 HE1 PHE A 62 -3.155 -13.168 5.190 1.00 32.41 H new ATOM 0 HE2 PHE A 62 -4.247 -17.026 6.574 1.00 2.01 H new ATOM 0 HZ PHE A 62 -2.603 -15.533 5.552 1.00 31.20 H new ATOM 874 N ARG A 63 -9.695 -12.533 8.703 1.00 51.10 N ATOM 875 CA ARG A 63 -11.053 -12.002 8.792 1.00 12.02 C ATOM 876 C ARG A 63 -11.117 -10.729 9.600 1.00 54.15 C ATOM 877 O ARG A 63 -11.933 -9.859 9.345 1.00 20.35 O ATOM 878 CB ARG A 63 -12.028 -13.026 9.305 1.00 34.30 C ATOM 879 CG ARG A 63 -12.265 -14.124 8.303 1.00 2.42 C ATOM 880 CD ARG A 63 -13.546 -14.822 8.598 1.00 72.24 C ATOM 881 NE ARG A 63 -13.880 -15.835 7.578 1.00 23.02 N ATOM 882 CZ ARG A 63 -14.982 -16.598 7.555 1.00 61.30 C ATOM 883 NH1 ARG A 63 -15.831 -16.594 8.590 1.00 71.24 N ATOM 884 NH2 ARG A 63 -15.214 -17.391 6.498 1.00 70.45 N ATOM 0 H ARG A 63 -9.557 -13.434 9.160 1.00 51.10 H new ATOM 0 HA ARG A 63 -11.351 -11.751 7.774 1.00 12.02 H new ATOM 0 HB2 ARG A 63 -11.649 -13.456 10.232 1.00 34.30 H new ATOM 0 HB3 ARG A 63 -12.974 -12.540 9.542 1.00 34.30 H new ATOM 0 HG2 ARG A 63 -12.293 -13.707 7.296 1.00 2.42 H new ATOM 0 HG3 ARG A 63 -11.440 -14.836 8.331 1.00 2.42 H new ATOM 0 HD2 ARG A 63 -13.479 -15.301 9.575 1.00 72.24 H new ATOM 0 HD3 ARG A 63 -14.351 -14.090 8.657 1.00 72.24 H new ATOM 0 HE ARG A 63 -13.210 -15.967 6.820 1.00 23.02 H new ATOM 0 HH11 ARG A 63 -15.641 -16.008 9.403 1.00 71.24 H new ATOM 0 HH12 ARG A 63 -16.668 -17.177 8.566 1.00 71.24 H new ATOM 0 HH21 ARG A 63 -14.554 -17.410 5.720 1.00 70.45 H new ATOM 0 HH22 ARG A 63 -16.050 -17.975 6.472 1.00 70.45 H new ATOM 898 N LYS A 64 -10.200 -10.606 10.527 1.00 11.44 N ATOM 899 CA LYS A 64 -10.067 -9.428 11.366 1.00 34.51 C ATOM 900 C LYS A 64 -9.436 -8.274 10.548 1.00 70.23 C ATOM 901 O LYS A 64 -9.465 -7.124 10.950 1.00 50.03 O ATOM 902 CB LYS A 64 -9.156 -9.792 12.517 1.00 23.14 C ATOM 903 CG LYS A 64 -8.988 -8.756 13.604 1.00 24.33 C ATOM 904 CD LYS A 64 -7.798 -9.117 14.482 1.00 3.35 C ATOM 905 CE LYS A 64 -6.448 -8.639 13.876 1.00 61.31 C ATOM 906 NZ LYS A 64 -6.209 -9.079 12.464 1.00 23.52 N ATOM 0 H LYS A 64 -9.511 -11.330 10.728 1.00 11.44 H new ATOM 0 HA LYS A 64 -11.041 -9.103 11.732 1.00 34.51 H new ATOM 0 HB2 LYS A 64 -9.534 -10.706 12.974 1.00 23.14 H new ATOM 0 HB3 LYS A 64 -8.171 -10.022 12.111 1.00 23.14 H new ATOM 0 HG2 LYS A 64 -8.839 -7.771 13.161 1.00 24.33 H new ATOM 0 HG3 LYS A 64 -9.893 -8.700 14.208 1.00 24.33 H new ATOM 0 HD2 LYS A 64 -7.929 -8.671 15.468 1.00 3.35 H new ATOM 0 HD3 LYS A 64 -7.768 -10.198 14.622 1.00 3.35 H new ATOM 0 HE2 LYS A 64 -6.412 -7.550 13.915 1.00 61.31 H new ATOM 0 HE3 LYS A 64 -5.634 -9.007 14.500 1.00 61.31 H new ATOM 0 HZ1 LYS A 64 -5.229 -9.414 12.366 1.00 23.52 H new ATOM 0 HZ2 LYS A 64 -6.864 -9.850 12.225 1.00 23.52 H new ATOM 0 HZ3 LYS A 64 -6.367 -8.278 11.819 1.00 23.52 H new ATOM 920 N ASN A 65 -8.826 -8.627 9.429 1.00 14.22 N ATOM 921 CA ASN A 65 -8.228 -7.662 8.494 1.00 63.52 C ATOM 922 C ASN A 65 -9.216 -7.357 7.382 1.00 71.14 C ATOM 923 O ASN A 65 -8.920 -6.623 6.453 1.00 4.43 O ATOM 924 CB ASN A 65 -6.909 -8.202 7.880 1.00 2.12 C ATOM 925 CG ASN A 65 -5.689 -8.100 8.789 1.00 2.42 C ATOM 926 OD1 ASN A 65 -5.797 -8.092 10.031 1.00 30.22 O ATOM 927 ND2 ASN A 65 -4.519 -8.067 8.198 1.00 21.05 N ATOM 0 H ASN A 65 -8.726 -9.598 9.133 1.00 14.22 H new ATOM 0 HA ASN A 65 -7.994 -6.754 9.050 1.00 63.52 H new ATOM 0 HB2 ASN A 65 -7.054 -9.247 7.606 1.00 2.12 H new ATOM 0 HB3 ASN A 65 -6.704 -7.657 6.959 1.00 2.12 H new ATOM 0 HD21 ASN A 65 -3.666 -8.034 8.757 1.00 21.05 H new ATOM 0 HD22 ASN A 65 -4.462 -8.075 7.180 1.00 21.05 H new ATOM 934 N GLY A 66 -10.397 -7.945 7.485 1.00 72.30 N ATOM 935 CA GLY A 66 -11.423 -7.722 6.501 1.00 51.20 C ATOM 936 C GLY A 66 -11.341 -8.689 5.336 1.00 12.23 C ATOM 937 O GLY A 66 -11.992 -8.492 4.305 1.00 62.54 O ATOM 0 H GLY A 66 -10.661 -8.577 8.241 1.00 72.30 H new ATOM 0 HA2 GLY A 66 -12.400 -7.813 6.975 1.00 51.20 H new ATOM 0 HA3 GLY A 66 -11.345 -6.701 6.126 1.00 51.20 H new ATOM 941 N TYR A 67 -10.556 -9.728 5.473 1.00 51.33 N ATOM 942 CA TYR A 67 -10.428 -10.700 4.418 1.00 53.31 C ATOM 943 C TYR A 67 -11.508 -11.735 4.438 1.00 31.12 C ATOM 944 O TYR A 67 -11.729 -12.426 5.434 1.00 11.14 O ATOM 945 CB TYR A 67 -9.058 -11.338 4.387 1.00 45.34 C ATOM 946 CG TYR A 67 -8.036 -10.457 3.765 1.00 3.34 C ATOM 947 CD1 TYR A 67 -7.876 -10.454 2.401 1.00 44.21 C ATOM 948 CD2 TYR A 67 -7.244 -9.621 4.522 1.00 31.12 C ATOM 949 CE1 TYR A 67 -6.956 -9.651 1.798 1.00 32.25 C ATOM 950 CE2 TYR A 67 -6.315 -8.805 3.925 1.00 30.05 C ATOM 951 CZ TYR A 67 -6.174 -8.827 2.558 1.00 45.34 C ATOM 952 OH TYR A 67 -5.240 -8.031 1.949 1.00 74.23 O ATOM 0 H TYR A 67 -9.997 -9.922 6.304 1.00 51.33 H new ATOM 0 HA TYR A 67 -10.550 -10.139 3.491 1.00 53.31 H new ATOM 0 HB2 TYR A 67 -8.752 -11.583 5.404 1.00 45.34 H new ATOM 0 HB3 TYR A 67 -9.110 -12.276 3.834 1.00 45.34 H new ATOM 0 HD1 TYR A 67 -8.492 -11.101 1.794 1.00 44.21 H new ATOM 0 HD2 TYR A 67 -7.355 -9.608 5.596 1.00 31.12 H new ATOM 0 HE1 TYR A 67 -6.845 -9.665 0.724 1.00 32.25 H new ATOM 0 HE2 TYR A 67 -5.700 -8.151 4.525 1.00 30.05 H new ATOM 0 HH TYR A 67 -4.543 -7.791 2.595 1.00 74.23 H new ATOM 962 N ARG A 68 -12.180 -11.840 3.327 1.00 54.15 N ATOM 963 CA ARG A 68 -13.225 -12.795 3.160 1.00 1.02 C ATOM 964 C ARG A 68 -12.633 -14.102 2.655 1.00 33.14 C ATOM 965 O ARG A 68 -12.568 -14.363 1.445 1.00 63.32 O ATOM 966 CB ARG A 68 -14.322 -12.263 2.226 1.00 52.42 C ATOM 967 CG ARG A 68 -15.058 -11.031 2.747 1.00 63.24 C ATOM 968 CD ARG A 68 -14.747 -9.800 1.911 1.00 10.23 C ATOM 969 NE ARG A 68 -13.358 -9.302 2.076 1.00 23.32 N ATOM 970 CZ ARG A 68 -12.501 -9.031 1.074 1.00 2.15 C ATOM 971 NH1 ARG A 68 -12.868 -9.244 -0.182 1.00 21.24 N ATOM 972 NH2 ARG A 68 -11.289 -8.532 1.346 1.00 35.13 N ATOM 0 H ARG A 68 -12.012 -11.257 2.507 1.00 54.15 H new ATOM 0 HA ARG A 68 -13.702 -12.979 4.123 1.00 1.02 H new ATOM 0 HB2 ARG A 68 -13.874 -12.022 1.262 1.00 52.42 H new ATOM 0 HB3 ARG A 68 -15.048 -13.057 2.051 1.00 52.42 H new ATOM 0 HG2 ARG A 68 -16.132 -11.217 2.737 1.00 63.24 H new ATOM 0 HG3 ARG A 68 -14.775 -10.849 3.784 1.00 63.24 H new ATOM 0 HD2 ARG A 68 -14.918 -10.033 0.860 1.00 10.23 H new ATOM 0 HD3 ARG A 68 -15.443 -9.005 2.178 1.00 10.23 H new ATOM 0 HE ARG A 68 -13.025 -9.153 3.029 1.00 23.32 H new ATOM 0 HH11 ARG A 68 -13.797 -9.612 -0.386 1.00 21.24 H new ATOM 0 HH12 ARG A 68 -12.221 -9.040 -0.944 1.00 21.24 H new ATOM 0 HH21 ARG A 68 -11.015 -8.357 2.313 1.00 35.13 H new ATOM 0 HH22 ARG A 68 -10.640 -8.327 0.587 1.00 35.13 H new ATOM 986 N LEU A 69 -12.102 -14.845 3.590 1.00 11.40 N ATOM 987 CA LEU A 69 -11.485 -16.125 3.340 1.00 32.44 C ATOM 988 C LEU A 69 -12.112 -17.126 4.264 1.00 33.40 C ATOM 989 O LEU A 69 -12.594 -16.756 5.350 1.00 31.54 O ATOM 990 CB LEU A 69 -9.979 -16.064 3.651 1.00 44.42 C ATOM 991 CG LEU A 69 -9.145 -15.066 2.857 1.00 32.12 C ATOM 992 CD1 LEU A 69 -7.701 -15.091 3.320 1.00 1.23 C ATOM 993 CD2 LEU A 69 -9.219 -15.380 1.389 1.00 31.30 C ATOM 0 H LEU A 69 -12.085 -14.571 4.572 1.00 11.40 H new ATOM 0 HA LEU A 69 -11.625 -16.399 2.294 1.00 32.44 H new ATOM 0 HB2 LEU A 69 -9.862 -15.836 4.710 1.00 44.42 H new ATOM 0 HB3 LEU A 69 -9.560 -17.058 3.491 1.00 44.42 H new ATOM 0 HG LEU A 69 -9.548 -14.068 3.027 1.00 32.12 H new ATOM 0 HD11 LEU A 69 -7.121 -14.372 2.742 1.00 1.23 H new ATOM 0 HD12 LEU A 69 -7.653 -14.829 4.377 1.00 1.23 H new ATOM 0 HD13 LEU A 69 -7.290 -16.090 3.175 1.00 1.23 H new ATOM 0 HD21 LEU A 69 -8.619 -14.660 0.832 1.00 31.30 H new ATOM 0 HD22 LEU A 69 -8.836 -16.385 1.212 1.00 31.30 H new ATOM 0 HD23 LEU A 69 -10.255 -15.323 1.056 1.00 31.30 H new ATOM 1005 N THR A 70 -12.151 -18.347 3.866 1.00 21.41 N ATOM 1006 CA THR A 70 -12.635 -19.379 4.705 1.00 74.14 C ATOM 1007 C THR A 70 -11.473 -20.285 5.093 1.00 52.35 C ATOM 1008 O THR A 70 -10.573 -20.539 4.303 1.00 22.03 O ATOM 1009 CB THR A 70 -13.740 -20.177 4.010 1.00 72.31 C ATOM 1010 OG1 THR A 70 -14.693 -19.258 3.477 1.00 1.44 O ATOM 1011 CG2 THR A 70 -14.461 -21.097 4.996 1.00 60.14 C ATOM 0 H THR A 70 -11.846 -18.658 2.944 1.00 21.41 H new ATOM 0 HA THR A 70 -13.069 -18.940 5.604 1.00 74.14 H new ATOM 0 HB THR A 70 -13.290 -20.786 3.226 1.00 72.31 H new ATOM 0 HG1 THR A 70 -15.408 -19.753 3.026 1.00 1.44 H new ATOM 0 HG21 THR A 70 -15.241 -21.651 4.473 1.00 60.14 H new ATOM 0 HG22 THR A 70 -13.747 -21.797 5.429 1.00 60.14 H new ATOM 0 HG23 THR A 70 -14.910 -20.500 5.789 1.00 60.14 H new ATOM 1019 N LEU A 71 -11.526 -20.774 6.302 1.00 55.13 N ATOM 1020 CA LEU A 71 -10.465 -21.587 6.903 1.00 20.25 C ATOM 1021 C LEU A 71 -10.201 -22.852 6.094 1.00 3.41 C ATOM 1022 O LEU A 71 -9.077 -23.315 5.975 1.00 23.44 O ATOM 1023 CB LEU A 71 -10.887 -21.978 8.318 1.00 33.24 C ATOM 1024 CG LEU A 71 -9.864 -22.748 9.134 1.00 10.13 C ATOM 1025 CD1 LEU A 71 -8.640 -21.921 9.370 1.00 75.41 C ATOM 1026 CD2 LEU A 71 -10.447 -23.196 10.443 1.00 54.25 C ATOM 0 H LEU A 71 -12.320 -20.623 6.924 1.00 55.13 H new ATOM 0 HA LEU A 71 -9.548 -20.998 6.919 1.00 20.25 H new ATOM 0 HB2 LEU A 71 -11.145 -21.069 8.862 1.00 33.24 H new ATOM 0 HB3 LEU A 71 -11.794 -22.578 8.251 1.00 33.24 H new ATOM 0 HG LEU A 71 -9.581 -23.632 8.563 1.00 10.13 H new ATOM 0 HD11 LEU A 71 -7.922 -22.494 9.957 1.00 75.41 H new ATOM 0 HD12 LEU A 71 -8.194 -21.650 8.413 1.00 75.41 H new ATOM 0 HD13 LEU A 71 -8.912 -21.016 9.913 1.00 75.41 H new ATOM 0 HD21 LEU A 71 -9.694 -23.745 11.008 1.00 54.25 H new ATOM 0 HD22 LEU A 71 -10.767 -22.326 11.016 1.00 54.25 H new ATOM 0 HD23 LEU A 71 -11.304 -23.843 10.257 1.00 54.25 H new ATOM 1038 N ARG A 72 -11.248 -23.357 5.504 1.00 2.10 N ATOM 1039 CA ARG A 72 -11.209 -24.609 4.788 1.00 23.25 C ATOM 1040 C ARG A 72 -10.491 -24.475 3.451 1.00 1.43 C ATOM 1041 O ARG A 72 -10.084 -25.463 2.871 1.00 52.43 O ATOM 1042 CB ARG A 72 -12.624 -25.147 4.644 1.00 11.52 C ATOM 1043 CG ARG A 72 -13.300 -25.299 6.007 1.00 40.21 C ATOM 1044 CD ARG A 72 -14.745 -25.753 5.934 1.00 3.13 C ATOM 1045 NE ARG A 72 -15.366 -25.707 7.278 1.00 53.10 N ATOM 1046 CZ ARG A 72 -16.648 -25.958 7.574 1.00 60.14 C ATOM 1047 NH1 ARG A 72 -17.503 -26.358 6.624 1.00 22.44 N ATOM 1048 NH2 ARG A 72 -17.063 -25.803 8.832 1.00 1.14 N ATOM 0 H ARG A 72 -12.164 -22.909 5.505 1.00 2.10 H new ATOM 0 HA ARG A 72 -10.626 -25.331 5.359 1.00 23.25 H new ATOM 0 HB2 ARG A 72 -13.210 -24.474 4.018 1.00 11.52 H new ATOM 0 HB3 ARG A 72 -12.599 -26.112 4.138 1.00 11.52 H new ATOM 0 HG2 ARG A 72 -12.735 -26.016 6.603 1.00 40.21 H new ATOM 0 HG3 ARG A 72 -13.256 -24.344 6.531 1.00 40.21 H new ATOM 0 HD2 ARG A 72 -15.300 -25.114 5.247 1.00 3.13 H new ATOM 0 HD3 ARG A 72 -14.795 -26.767 5.537 1.00 3.13 H new ATOM 0 HE ARG A 72 -14.756 -25.459 8.057 1.00 53.10 H new ATOM 0 HH11 ARG A 72 -17.180 -26.474 5.663 1.00 22.44 H new ATOM 0 HH12 ARG A 72 -18.477 -26.546 6.861 1.00 22.44 H new ATOM 0 HH21 ARG A 72 -16.407 -25.498 9.551 1.00 1.14 H new ATOM 0 HH22 ARG A 72 -18.036 -25.990 9.075 1.00 1.14 H new ATOM 1062 N GLU A 73 -10.319 -23.241 2.992 1.00 14.04 N ATOM 1063 CA GLU A 73 -9.588 -22.985 1.762 1.00 54.35 C ATOM 1064 C GLU A 73 -8.101 -23.136 2.054 1.00 73.32 C ATOM 1065 O GLU A 73 -7.390 -23.904 1.406 1.00 51.51 O ATOM 1066 CB GLU A 73 -9.872 -21.565 1.248 1.00 23.40 C ATOM 1067 CG GLU A 73 -11.337 -21.283 0.980 1.00 53.01 C ATOM 1068 CD GLU A 73 -11.589 -19.879 0.482 1.00 45.25 C ATOM 1069 OE1 GLU A 73 -11.805 -18.955 1.307 1.00 75.04 O ATOM 1070 OE2 GLU A 73 -11.578 -19.677 -0.725 1.00 74.03 O ATOM 0 H GLU A 73 -10.676 -22.405 3.454 1.00 14.04 H new ATOM 0 HA GLU A 73 -9.903 -23.693 0.995 1.00 54.35 H new ATOM 0 HB2 GLU A 73 -9.503 -20.845 1.979 1.00 23.40 H new ATOM 0 HB3 GLU A 73 -9.308 -21.404 0.329 1.00 23.40 H new ATOM 0 HG2 GLU A 73 -11.709 -21.995 0.244 1.00 53.01 H new ATOM 0 HG3 GLU A 73 -11.905 -21.445 1.896 1.00 53.01 H new ATOM 1077 N LEU A 74 -7.660 -22.418 3.080 1.00 3.22 N ATOM 1078 CA LEU A 74 -6.288 -22.423 3.530 1.00 42.41 C ATOM 1079 C LEU A 74 -5.818 -23.807 3.977 1.00 72.24 C ATOM 1080 O LEU A 74 -4.651 -24.107 3.884 1.00 3.31 O ATOM 1081 CB LEU A 74 -6.081 -21.443 4.683 1.00 33.12 C ATOM 1082 CG LEU A 74 -6.097 -19.942 4.370 1.00 13.53 C ATOM 1083 CD1 LEU A 74 -7.414 -19.473 3.871 1.00 35.13 C ATOM 1084 CD2 LEU A 74 -5.667 -19.133 5.566 1.00 50.04 C ATOM 0 H LEU A 74 -8.264 -21.806 3.628 1.00 3.22 H new ATOM 0 HA LEU A 74 -5.694 -22.118 2.668 1.00 42.41 H new ATOM 0 HB2 LEU A 74 -6.854 -21.636 5.427 1.00 33.12 H new ATOM 0 HB3 LEU A 74 -5.124 -21.676 5.150 1.00 33.12 H new ATOM 0 HG LEU A 74 -5.378 -19.789 3.565 1.00 13.53 H new ATOM 0 HD11 LEU A 74 -7.366 -18.403 3.666 1.00 35.13 H new ATOM 0 HD12 LEU A 74 -7.667 -20.007 2.955 1.00 35.13 H new ATOM 0 HD13 LEU A 74 -8.178 -19.664 4.625 1.00 35.13 H new ATOM 0 HD21 LEU A 74 -5.688 -18.073 5.315 1.00 50.04 H new ATOM 0 HD22 LEU A 74 -6.347 -19.322 6.397 1.00 50.04 H new ATOM 0 HD23 LEU A 74 -4.655 -19.418 5.853 1.00 50.04 H new ATOM 1096 N TYR A 75 -6.722 -24.628 4.502 1.00 23.51 N ATOM 1097 CA TYR A 75 -6.333 -25.985 4.902 1.00 35.34 C ATOM 1098 C TYR A 75 -6.127 -26.887 3.722 1.00 24.43 C ATOM 1099 O TYR A 75 -5.408 -27.877 3.815 1.00 42.10 O ATOM 1100 CB TYR A 75 -7.295 -26.641 5.907 1.00 42.02 C ATOM 1101 CG TYR A 75 -7.184 -26.146 7.293 1.00 72.24 C ATOM 1102 CD1 TYR A 75 -5.955 -25.862 7.848 1.00 34.14 C ATOM 1103 CD2 TYR A 75 -8.304 -25.991 8.059 1.00 50.43 C ATOM 1104 CE1 TYR A 75 -5.853 -25.420 9.143 1.00 22.32 C ATOM 1105 CE2 TYR A 75 -8.217 -25.556 9.349 1.00 42.31 C ATOM 1106 CZ TYR A 75 -6.994 -25.266 9.889 1.00 33.32 C ATOM 1107 OH TYR A 75 -6.918 -24.820 11.173 1.00 52.44 O ATOM 0 H TYR A 75 -7.702 -24.392 4.659 1.00 23.51 H new ATOM 0 HA TYR A 75 -5.381 -25.855 5.416 1.00 35.34 H new ATOM 0 HB2 TYR A 75 -8.317 -26.485 5.563 1.00 42.02 H new ATOM 0 HB3 TYR A 75 -7.119 -27.717 5.906 1.00 42.02 H new ATOM 0 HD1 TYR A 75 -5.061 -25.989 7.256 1.00 34.14 H new ATOM 0 HD2 TYR A 75 -9.272 -26.216 7.637 1.00 50.43 H new ATOM 0 HE1 TYR A 75 -4.886 -25.196 9.570 1.00 22.32 H new ATOM 0 HE2 TYR A 75 -9.112 -25.441 9.943 1.00 42.31 H new ATOM 0 HH TYR A 75 -7.819 -24.768 11.555 1.00 52.44 H new ATOM 1117 N ALA A 76 -6.739 -26.554 2.621 1.00 33.34 N ATOM 1118 CA ALA A 76 -6.596 -27.365 1.455 1.00 31.23 C ATOM 1119 C ALA A 76 -5.322 -26.979 0.712 1.00 55.55 C ATOM 1120 O ALA A 76 -4.643 -27.821 0.128 1.00 41.12 O ATOM 1121 CB ALA A 76 -7.820 -27.265 0.561 1.00 33.13 C ATOM 0 H ALA A 76 -7.335 -25.734 2.510 1.00 33.34 H new ATOM 0 HA ALA A 76 -6.513 -28.408 1.760 1.00 31.23 H new ATOM 0 HB1 ALA A 76 -7.681 -27.894 -0.318 1.00 33.13 H new ATOM 0 HB2 ALA A 76 -8.700 -27.599 1.110 1.00 33.13 H new ATOM 0 HB3 ALA A 76 -7.959 -26.230 0.249 1.00 33.13 H new ATOM 1127 N ALA A 77 -5.004 -25.703 0.752 1.00 41.42 N ATOM 1128 CA ALA A 77 -3.799 -25.192 0.151 1.00 24.30 C ATOM 1129 C ALA A 77 -3.146 -24.199 1.091 1.00 12.34 C ATOM 1130 O ALA A 77 -3.514 -23.022 1.101 1.00 40.53 O ATOM 1131 CB ALA A 77 -4.090 -24.527 -1.194 1.00 53.24 C ATOM 0 H ALA A 77 -5.578 -24.992 1.205 1.00 41.42 H new ATOM 0 HA ALA A 77 -3.122 -26.027 -0.028 1.00 24.30 H new ATOM 0 HB1 ALA A 77 -3.161 -24.151 -1.623 1.00 53.24 H new ATOM 0 HB2 ALA A 77 -4.534 -25.256 -1.872 1.00 53.24 H new ATOM 0 HB3 ALA A 77 -4.783 -23.699 -1.048 1.00 53.24 H new ATOM 1137 N PRO A 78 -2.252 -24.652 1.977 1.00 42.02 N ATOM 1138 CA PRO A 78 -1.561 -23.766 2.865 1.00 43.53 C ATOM 1139 C PRO A 78 -0.198 -23.382 2.313 1.00 63.40 C ATOM 1140 O PRO A 78 0.834 -24.014 2.641 1.00 2.31 O ATOM 1141 CB PRO A 78 -1.406 -24.607 4.143 1.00 14.20 C ATOM 1142 CG PRO A 78 -1.615 -26.046 3.714 1.00 54.34 C ATOM 1143 CD PRO A 78 -1.891 -26.041 2.226 1.00 62.42 C ATOM 0 HA PRO A 78 -2.091 -22.827 3.022 1.00 43.53 H new ATOM 0 HB2 PRO A 78 -0.419 -24.469 4.585 1.00 14.20 H new ATOM 0 HB3 PRO A 78 -2.137 -24.313 4.896 1.00 14.20 H new ATOM 0 HG2 PRO A 78 -0.732 -26.645 3.938 1.00 54.34 H new ATOM 0 HG3 PRO A 78 -2.449 -26.491 4.257 1.00 54.34 H new ATOM 0 HD2 PRO A 78 -1.016 -26.342 1.650 1.00 62.42 H new ATOM 0 HD3 PRO A 78 -2.698 -26.724 1.961 1.00 62.42 H new ATOM 1151 N THR A 79 -0.200 -22.357 1.499 1.00 60.43 N ATOM 1152 CA THR A 79 0.975 -21.833 0.864 1.00 63.23 C ATOM 1153 C THR A 79 0.790 -20.325 0.713 1.00 30.43 C ATOM 1154 O THR A 79 -0.335 -19.860 0.518 1.00 2.13 O ATOM 1155 CB THR A 79 1.205 -22.487 -0.537 1.00 12.41 C ATOM 1156 OG1 THR A 79 0.034 -22.390 -1.355 1.00 0.31 O ATOM 1157 CG2 THR A 79 1.636 -23.946 -0.444 1.00 10.41 C ATOM 0 H THR A 79 -1.050 -21.850 1.254 1.00 60.43 H new ATOM 0 HA THR A 79 1.850 -22.058 1.474 1.00 63.23 H new ATOM 0 HB THR A 79 2.018 -21.926 -0.997 1.00 12.41 H new ATOM 0 HG1 THR A 79 0.297 -22.219 -2.283 1.00 0.31 H new ATOM 0 HG21 THR A 79 1.781 -24.347 -1.447 1.00 10.41 H new ATOM 0 HG22 THR A 79 2.571 -24.015 0.113 1.00 10.41 H new ATOM 0 HG23 THR A 79 0.865 -24.521 0.069 1.00 10.41 H new ATOM 1165 N LEU A 80 1.859 -19.574 0.808 1.00 20.33 N ATOM 1166 CA LEU A 80 1.787 -18.130 0.769 1.00 22.42 C ATOM 1167 C LEU A 80 1.311 -17.569 -0.541 1.00 52.12 C ATOM 1168 O LEU A 80 0.399 -16.783 -0.533 1.00 30.40 O ATOM 1169 CB LEU A 80 3.078 -17.479 1.249 1.00 73.11 C ATOM 1170 CG LEU A 80 3.009 -16.907 2.667 1.00 0.33 C ATOM 1171 CD1 LEU A 80 4.362 -16.439 3.134 1.00 63.13 C ATOM 1172 CD2 LEU A 80 2.049 -15.745 2.695 1.00 52.41 C ATOM 0 H LEU A 80 2.804 -19.943 0.914 1.00 20.33 H new ATOM 0 HA LEU A 80 1.006 -17.864 1.482 1.00 22.42 H new ATOM 0 HB2 LEU A 80 3.880 -18.216 1.206 1.00 73.11 H new ATOM 0 HB3 LEU A 80 3.345 -16.678 0.560 1.00 73.11 H new ATOM 0 HG LEU A 80 2.666 -17.698 3.335 1.00 0.33 H new ATOM 0 HD11 LEU A 80 4.280 -16.038 4.144 1.00 63.13 H new ATOM 0 HD12 LEU A 80 5.058 -17.278 3.132 1.00 63.13 H new ATOM 0 HD13 LEU A 80 4.729 -15.662 2.464 1.00 63.13 H new ATOM 0 HD21 LEU A 80 2.000 -15.338 3.705 1.00 52.41 H new ATOM 0 HD22 LEU A 80 2.394 -14.972 2.008 1.00 52.41 H new ATOM 0 HD23 LEU A 80 1.058 -16.084 2.392 1.00 52.41 H new ATOM 1184 N ALA A 81 1.821 -18.046 -1.664 1.00 71.04 N ATOM 1185 CA ALA A 81 1.472 -17.448 -2.948 1.00 64.51 C ATOM 1186 C ALA A 81 0.020 -17.713 -3.298 1.00 25.13 C ATOM 1187 O ALA A 81 -0.648 -16.856 -3.909 1.00 73.00 O ATOM 1188 CB ALA A 81 2.411 -17.876 -4.069 1.00 62.25 C ATOM 0 H ALA A 81 2.468 -18.833 -1.717 1.00 71.04 H new ATOM 0 HA ALA A 81 1.599 -16.371 -2.841 1.00 64.51 H new ATOM 0 HB1 ALA A 81 2.105 -17.401 -5.001 1.00 62.25 H new ATOM 0 HB2 ALA A 81 3.430 -17.574 -3.826 1.00 62.25 H new ATOM 0 HB3 ALA A 81 2.371 -18.959 -4.183 1.00 62.25 H new ATOM 1194 N ALA A 82 -0.490 -18.871 -2.895 1.00 4.31 N ATOM 1195 CA ALA A 82 -1.898 -19.158 -3.091 1.00 65.13 C ATOM 1196 C ALA A 82 -2.728 -18.268 -2.204 1.00 12.33 C ATOM 1197 O ALA A 82 -3.752 -17.751 -2.632 1.00 51.41 O ATOM 1198 CB ALA A 82 -2.246 -20.602 -2.823 1.00 62.03 C ATOM 0 H ALA A 82 0.042 -19.612 -2.439 1.00 4.31 H new ATOM 0 HA ALA A 82 -2.118 -18.963 -4.141 1.00 65.13 H new ATOM 0 HB1 ALA A 82 -3.313 -20.756 -2.986 1.00 62.03 H new ATOM 0 HB2 ALA A 82 -1.680 -21.244 -3.498 1.00 62.03 H new ATOM 0 HB3 ALA A 82 -1.997 -20.851 -1.791 1.00 62.03 H new ATOM 1204 N TRP A 83 -2.274 -18.059 -0.972 1.00 54.41 N ATOM 1205 CA TRP A 83 -2.984 -17.196 -0.053 1.00 65.21 C ATOM 1206 C TRP A 83 -2.972 -15.793 -0.538 1.00 74.13 C ATOM 1207 O TRP A 83 -3.955 -15.112 -0.424 1.00 53.43 O ATOM 1208 CB TRP A 83 -2.432 -17.263 1.346 1.00 33.21 C ATOM 1209 CG TRP A 83 -2.672 -18.556 2.033 1.00 4.54 C ATOM 1210 CD1 TRP A 83 -3.264 -19.678 1.532 1.00 73.14 C ATOM 1211 CD2 TRP A 83 -2.342 -18.841 3.359 1.00 32.32 C ATOM 1212 NE1 TRP A 83 -3.274 -20.653 2.471 1.00 53.45 N ATOM 1213 CE2 TRP A 83 -2.725 -20.161 3.613 1.00 22.00 C ATOM 1214 CE3 TRP A 83 -1.747 -18.102 4.355 1.00 50.23 C ATOM 1215 CZ2 TRP A 83 -2.536 -20.757 4.832 1.00 25.42 C ATOM 1216 CZ3 TRP A 83 -1.562 -18.690 5.588 1.00 21.53 C ATOM 1217 CH2 TRP A 83 -1.962 -20.014 5.811 1.00 4.24 C ATOM 0 H TRP A 83 -1.423 -18.475 -0.595 1.00 54.41 H new ATOM 0 HA TRP A 83 -4.012 -17.557 -0.014 1.00 65.21 H new ATOM 0 HB2 TRP A 83 -1.359 -17.077 1.310 1.00 33.21 H new ATOM 0 HB3 TRP A 83 -2.875 -16.462 1.938 1.00 33.21 H new ATOM 0 HD1 TRP A 83 -3.665 -19.774 0.534 1.00 73.14 H new ATOM 0 HE1 TRP A 83 -3.633 -21.599 2.343 1.00 53.45 H new ATOM 0 HE3 TRP A 83 -1.432 -17.085 4.175 1.00 50.23 H new ATOM 0 HZ2 TRP A 83 -2.833 -21.780 5.007 1.00 25.42 H new ATOM 0 HZ3 TRP A 83 -1.105 -18.126 6.388 1.00 21.53 H new ATOM 0 HH2 TRP A 83 -1.810 -20.454 6.786 1.00 4.24 H new ATOM 1228 N ASN A 84 -1.846 -15.364 -1.071 1.00 50.43 N ATOM 1229 CA ASN A 84 -1.736 -14.046 -1.703 1.00 54.21 C ATOM 1230 C ASN A 84 -2.827 -13.891 -2.731 1.00 45.13 C ATOM 1231 O ASN A 84 -3.501 -12.886 -2.757 1.00 32.32 O ATOM 1232 CB ASN A 84 -0.385 -13.814 -2.405 1.00 24.51 C ATOM 1233 CG ASN A 84 0.797 -14.081 -1.543 1.00 62.42 C ATOM 1234 OD1 ASN A 84 0.724 -13.970 -0.339 1.00 10.20 O ATOM 1235 ND2 ASN A 84 1.904 -14.426 -2.156 1.00 71.32 N ATOM 0 H ASN A 84 -0.983 -15.907 -1.083 1.00 50.43 H new ATOM 0 HA ASN A 84 -1.825 -13.313 -0.901 1.00 54.21 H new ATOM 0 HB2 ASN A 84 -0.331 -14.453 -3.287 1.00 24.51 H new ATOM 0 HB3 ASN A 84 -0.341 -12.783 -2.755 1.00 24.51 H new ATOM 0 HD21 ASN A 84 2.749 -14.613 -1.616 1.00 71.32 H new ATOM 0 HD22 ASN A 84 1.920 -14.507 -3.173 1.00 71.32 H new ATOM 1242 N GLN A 85 -3.021 -14.922 -3.545 1.00 24.13 N ATOM 1243 CA GLN A 85 -4.060 -14.923 -4.569 1.00 34.12 C ATOM 1244 C GLN A 85 -5.433 -14.796 -3.886 1.00 25.11 C ATOM 1245 O GLN A 85 -6.246 -13.947 -4.252 1.00 31.21 O ATOM 1246 CB GLN A 85 -3.952 -16.222 -5.424 1.00 33.10 C ATOM 1247 CG GLN A 85 -4.782 -16.244 -6.724 1.00 51.33 C ATOM 1248 CD GLN A 85 -6.292 -16.374 -6.535 1.00 30.00 C ATOM 1249 OE1 GLN A 85 -6.776 -16.998 -5.599 1.00 30.42 O ATOM 1250 NE2 GLN A 85 -7.041 -15.761 -7.414 1.00 34.35 N ATOM 0 H GLN A 85 -2.466 -15.777 -3.515 1.00 24.13 H new ATOM 0 HA GLN A 85 -3.935 -14.076 -5.244 1.00 34.12 H new ATOM 0 HB2 GLN A 85 -2.905 -16.378 -5.682 1.00 33.10 H new ATOM 0 HB3 GLN A 85 -4.257 -17.067 -4.806 1.00 33.10 H new ATOM 0 HG2 GLN A 85 -4.580 -15.328 -7.280 1.00 51.33 H new ATOM 0 HG3 GLN A 85 -4.437 -17.074 -7.341 1.00 51.33 H new ATOM 0 HE21 GLN A 85 -6.609 -15.249 -8.183 1.00 34.35 H new ATOM 0 HE22 GLN A 85 -8.057 -15.795 -7.330 1.00 34.35 H new ATOM 1259 N LEU A 86 -5.640 -15.605 -2.857 1.00 35.45 N ATOM 1260 CA LEU A 86 -6.876 -15.613 -2.082 1.00 31.23 C ATOM 1261 C LEU A 86 -7.132 -14.229 -1.423 1.00 65.34 C ATOM 1262 O LEU A 86 -8.257 -13.804 -1.259 1.00 5.12 O ATOM 1263 CB LEU A 86 -6.795 -16.684 -0.968 1.00 74.45 C ATOM 1264 CG LEU A 86 -6.486 -18.138 -1.388 1.00 11.31 C ATOM 1265 CD1 LEU A 86 -6.393 -19.019 -0.177 1.00 70.12 C ATOM 1266 CD2 LEU A 86 -7.538 -18.705 -2.306 1.00 5.01 C ATOM 0 H LEU A 86 -4.949 -16.281 -2.532 1.00 35.45 H new ATOM 0 HA LEU A 86 -7.695 -15.840 -2.765 1.00 31.23 H new ATOM 0 HB2 LEU A 86 -6.030 -16.371 -0.257 1.00 74.45 H new ATOM 0 HB3 LEU A 86 -7.745 -16.684 -0.434 1.00 74.45 H new ATOM 0 HG LEU A 86 -5.536 -18.113 -1.922 1.00 11.31 H new ATOM 0 HD11 LEU A 86 -6.175 -20.041 -0.487 1.00 70.12 H new ATOM 0 HD12 LEU A 86 -5.596 -18.659 0.474 1.00 70.12 H new ATOM 0 HD13 LEU A 86 -7.340 -18.997 0.362 1.00 70.12 H new ATOM 0 HD21 LEU A 86 -7.275 -19.729 -2.572 1.00 5.01 H new ATOM 0 HD22 LEU A 86 -8.504 -18.698 -1.801 1.00 5.01 H new ATOM 0 HD23 LEU A 86 -7.597 -18.099 -3.210 1.00 5.01 H new ATOM 1278 N MET A 87 -6.070 -13.543 -1.072 1.00 3.24 N ATOM 1279 CA MET A 87 -6.143 -12.302 -0.331 1.00 13.25 C ATOM 1280 C MET A 87 -6.363 -11.150 -1.246 1.00 51.34 C ATOM 1281 O MET A 87 -7.390 -10.447 -1.210 1.00 54.42 O ATOM 1282 CB MET A 87 -4.835 -12.088 0.467 1.00 5.01 C ATOM 1283 CG MET A 87 -4.686 -13.010 1.663 1.00 3.22 C ATOM 1284 SD MET A 87 -3.163 -12.747 2.576 1.00 4.22 S ATOM 1285 CE MET A 87 -3.461 -11.122 3.276 1.00 72.34 C ATOM 0 H MET A 87 -5.118 -13.833 -1.295 1.00 3.24 H new ATOM 0 HA MET A 87 -6.986 -12.364 0.358 1.00 13.25 H new ATOM 0 HB2 MET A 87 -3.986 -12.235 -0.200 1.00 5.01 H new ATOM 0 HB3 MET A 87 -4.796 -11.054 0.810 1.00 5.01 H new ATOM 0 HG2 MET A 87 -5.533 -12.864 2.333 1.00 3.22 H new ATOM 0 HG3 MET A 87 -4.723 -14.045 1.322 1.00 3.22 H new ATOM 0 HE1 MET A 87 -2.741 -10.931 4.072 1.00 72.34 H new ATOM 0 HE2 MET A 87 -3.352 -10.366 2.499 1.00 72.34 H new ATOM 0 HE3 MET A 87 -4.471 -11.081 3.683 1.00 72.34 H new ATOM 1295 N LEU A 88 -5.416 -11.015 -2.094 1.00 63.40 N ATOM 1296 CA LEU A 88 -5.250 -9.945 -2.955 1.00 24.43 C ATOM 1297 C LEU A 88 -6.291 -9.913 -4.060 1.00 32.10 C ATOM 1298 O LEU A 88 -6.954 -8.915 -4.223 1.00 34.52 O ATOM 1299 CB LEU A 88 -3.842 -10.061 -3.489 1.00 22.23 C ATOM 1300 CG LEU A 88 -3.554 -9.302 -4.698 1.00 43.14 C ATOM 1301 CD1 LEU A 88 -3.505 -7.797 -4.403 1.00 14.13 C ATOM 1302 CD2 LEU A 88 -2.305 -9.806 -5.391 1.00 52.15 C ATOM 0 H LEU A 88 -4.684 -11.718 -2.200 1.00 63.40 H new ATOM 0 HA LEU A 88 -5.394 -9.000 -2.432 1.00 24.43 H new ATOM 0 HB2 LEU A 88 -3.151 -9.740 -2.709 1.00 22.23 H new ATOM 0 HB3 LEU A 88 -3.635 -11.113 -3.686 1.00 22.23 H new ATOM 0 HG LEU A 88 -4.373 -9.460 -5.400 1.00 43.14 H new ATOM 0 HD11 LEU A 88 -3.288 -7.253 -5.322 1.00 14.13 H new ATOM 0 HD12 LEU A 88 -4.467 -7.472 -4.007 1.00 14.13 H new ATOM 0 HD13 LEU A 88 -2.724 -7.595 -3.669 1.00 14.13 H new ATOM 0 HD21 LEU A 88 -2.123 -9.215 -6.289 1.00 52.15 H new ATOM 0 HD22 LEU A 88 -1.453 -9.714 -4.717 1.00 52.15 H new ATOM 0 HD23 LEU A 88 -2.439 -10.852 -5.667 1.00 52.15 H new ATOM 1314 N SER A 89 -6.495 -11.021 -4.749 1.00 14.32 N ATOM 1315 CA SER A 89 -7.396 -11.032 -5.893 1.00 51.14 C ATOM 1316 C SER A 89 -8.892 -10.986 -5.480 1.00 32.02 C ATOM 1317 O SER A 89 -9.785 -11.143 -6.309 1.00 3.52 O ATOM 1318 CB SER A 89 -7.103 -12.242 -6.772 1.00 11.24 C ATOM 1319 OG SER A 89 -5.732 -12.257 -7.160 1.00 62.11 O ATOM 0 H SER A 89 -6.055 -11.918 -4.542 1.00 14.32 H new ATOM 0 HA SER A 89 -7.213 -10.122 -6.464 1.00 51.14 H new ATOM 0 HB2 SER A 89 -7.344 -13.158 -6.232 1.00 11.24 H new ATOM 0 HB3 SER A 89 -7.737 -12.217 -7.658 1.00 11.24 H new ATOM 0 HG SER A 89 -5.560 -13.041 -7.722 1.00 62.11 H new