USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 461 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ASP N :NH3+ -123:sc= 0.104 (180deg=-0.00722) USER MOD Single : A 4 ASN : amide:sc= -1.43! C(o=-1.4!,f=-8!) USER MOD Single : A 5 LYS NZ :NH3+ -113:sc= 0.0984 (180deg=-0.288) USER MOD Single : A 7 ASN : amide:sc= -1.99! C(o=-2!,f=-14!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -1.88! K(o=-1.9!,f=-0.035) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.514 K(o=-0.51,f=-1.6) USER MOD Single : A 22 ASN : amide:sc= -4.9! C(o=-4.9!,f=-4.8!) USER MOD Single : A 24 ASN : amide:sc= -5.59! C(o=-5.6!,f=-0.68!) USER MOD Single : A 27 GLN : amide:sc= -0.0975 K(o=-0.097,f=-0.85) USER MOD Single : A 29 ASN : amide:sc= -2.62! K(o=-2.6!,f=-1.1) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 34 SER OG : rot 82:sc= 0.0537 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -2.92! C(o=-2.9!,f=-5.1!) USER MOD Single : A 42 SER OG : rot -96:sc= -0.483 USER MOD Single : A 44 ASN : amide:sc= -2.24 K(o=-2.2,f=-0.39) USER MOD Single : A 50 LYS NZ :NH3+ 157:sc= -0.105 (180deg=-0.678) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -1.78 K(o=-1.8,f=-5.1!) USER MOD Single : A 56 GLN : amide:sc= -3.04! C(o=-3!,f=-4.3!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -2.803 10.484 73.895 1.00 4.00 N ATOM 2 CA ASP A 1 -2.299 11.479 74.883 1.00 0.02 C ATOM 3 C ASP A 1 -1.178 10.851 75.705 1.00 22.23 C ATOM 4 O ASP A 1 -0.684 9.772 75.378 1.00 11.23 O ATOM 5 CB ASP A 1 -3.445 11.903 75.803 1.00 4.31 C ATOM 6 CG ASP A 1 -4.492 12.678 75.010 1.00 21.31 C ATOM 7 OD1 ASP A 1 -4.199 13.052 73.887 1.00 62.33 O ATOM 8 OD2 ASP A 1 -5.573 12.885 75.537 1.00 55.03 O ATOM 0 H1 ASP A 1 -2.721 10.876 72.935 1.00 4.00 H new ATOM 0 H2 ASP A 1 -2.240 9.612 73.962 1.00 4.00 H new ATOM 0 H3 ASP A 1 -3.800 10.268 74.097 1.00 4.00 H new ATOM 0 HA ASP A 1 -1.914 12.355 74.362 1.00 0.02 H new ATOM 0 HB2 ASP A 1 -3.900 11.024 76.259 1.00 4.31 H new ATOM 0 HB3 ASP A 1 -3.061 12.521 76.615 1.00 4.31 H new ATOM 15 N VAL A 2 -0.786 11.531 76.778 1.00 72.12 N ATOM 16 CA VAL A 2 0.273 11.029 77.645 1.00 65.50 C ATOM 17 C VAL A 2 -0.081 9.641 78.173 1.00 40.21 C ATOM 18 O VAL A 2 0.792 8.794 78.363 1.00 54.31 O ATOM 19 CB VAL A 2 0.498 12.001 78.811 1.00 42.24 C ATOM 20 CG1 VAL A 2 -0.646 11.883 79.825 1.00 71.33 C ATOM 21 CG2 VAL A 2 1.820 11.665 79.503 1.00 32.35 C ATOM 0 H VAL A 2 -1.183 12.425 77.066 1.00 72.12 H new ATOM 0 HA VAL A 2 1.193 10.951 77.066 1.00 65.50 H new ATOM 0 HB VAL A 2 0.529 13.019 78.423 1.00 42.24 H new ATOM 0 HG11 VAL A 2 -0.476 12.577 80.648 1.00 71.33 H new ATOM 0 HG12 VAL A 2 -1.591 12.123 79.337 1.00 71.33 H new ATOM 0 HG13 VAL A 2 -0.686 10.865 80.212 1.00 71.33 H new ATOM 0 HG21 VAL A 2 1.982 12.354 80.332 1.00 32.35 H new ATOM 0 HG22 VAL A 2 1.783 10.644 79.882 1.00 32.35 H new ATOM 0 HG23 VAL A 2 2.638 11.757 78.789 1.00 32.35 H new ATOM 31 N ASP A 3 -1.369 9.422 78.410 1.00 64.54 N ATOM 32 CA ASP A 3 -1.838 8.139 78.918 1.00 51.40 C ATOM 33 C ASP A 3 -1.653 7.045 77.887 1.00 55.22 C ATOM 34 O ASP A 3 -1.830 7.242 76.685 1.00 31.52 O ATOM 35 CB ASP A 3 -3.316 8.238 79.300 1.00 2.12 C ATOM 36 CG ASP A 3 -3.488 9.188 80.481 1.00 2.21 C ATOM 37 OD1 ASP A 3 -2.490 9.522 81.098 1.00 31.33 O ATOM 38 OD2 ASP A 3 -4.616 9.568 80.751 1.00 53.33 O ATOM 0 H ASP A 3 -2.104 10.113 78.259 1.00 64.54 H new ATOM 0 HA ASP A 3 -1.248 7.887 79.799 1.00 51.40 H new ATOM 0 HB2 ASP A 3 -3.897 8.594 78.449 1.00 2.12 H new ATOM 0 HB3 ASP A 3 -3.700 7.251 79.558 1.00 2.12 H new ATOM 43 N ASN A 4 -1.293 5.893 78.405 1.00 21.22 N ATOM 44 CA ASN A 4 -1.060 4.701 77.617 1.00 74.53 C ATOM 45 C ASN A 4 -2.356 3.926 77.401 1.00 2.31 C ATOM 46 O ASN A 4 -2.350 2.812 76.879 1.00 73.04 O ATOM 47 CB ASN A 4 -0.031 3.874 78.376 1.00 35.42 C ATOM 48 CG ASN A 4 -0.678 3.284 79.620 1.00 15.25 C ATOM 49 OD1 ASN A 4 -1.826 3.598 79.934 1.00 73.42 O ATOM 50 ND2 ASN A 4 0.021 2.529 80.402 1.00 41.51 N ATOM 0 H ASN A 4 -1.151 5.754 79.405 1.00 21.22 H new ATOM 0 HA ASN A 4 -0.691 4.952 76.623 1.00 74.53 H new ATOM 0 HB2 ASN A 4 0.353 3.077 77.739 1.00 35.42 H new ATOM 0 HB3 ASN A 4 0.819 4.497 78.655 1.00 35.42 H new ATOM 0 HD21 ASN A 4 -0.379 2.194 81.279 1.00 41.51 H new ATOM 0 HD22 ASN A 4 0.972 2.268 80.143 1.00 41.51 H new ATOM 57 N LYS A 5 -3.465 4.532 77.812 1.00 24.34 N ATOM 58 CA LYS A 5 -4.772 3.904 77.668 1.00 63.52 C ATOM 59 C LYS A 5 -5.191 3.882 76.201 1.00 65.42 C ATOM 60 O LYS A 5 -5.020 4.863 75.478 1.00 22.02 O ATOM 61 CB LYS A 5 -5.814 4.675 78.495 1.00 32.14 C ATOM 62 CG LYS A 5 -7.175 3.948 78.515 1.00 62.41 C ATOM 63 CD LYS A 5 -7.142 2.732 79.455 1.00 65.43 C ATOM 64 CE LYS A 5 -8.539 2.116 79.528 1.00 5.34 C ATOM 65 NZ LYS A 5 -8.906 1.556 78.196 1.00 2.24 N ATOM 0 H LYS A 5 -3.484 5.455 78.246 1.00 24.34 H new ATOM 0 HA LYS A 5 -4.710 2.878 78.031 1.00 63.52 H new ATOM 0 HB2 LYS A 5 -5.451 4.797 79.516 1.00 32.14 H new ATOM 0 HB3 LYS A 5 -5.941 5.675 78.080 1.00 32.14 H new ATOM 0 HG2 LYS A 5 -7.954 4.639 78.837 1.00 62.41 H new ATOM 0 HG3 LYS A 5 -7.432 3.624 77.506 1.00 62.41 H new ATOM 0 HD2 LYS A 5 -6.425 1.996 79.092 1.00 65.43 H new ATOM 0 HD3 LYS A 5 -6.812 3.034 80.449 1.00 65.43 H new ATOM 0 HE2 LYS A 5 -8.563 1.331 80.283 1.00 5.34 H new ATOM 0 HE3 LYS A 5 -9.265 2.871 79.830 1.00 5.34 H new ATOM 0 HZ1 LYS A 5 -9.691 2.106 77.793 1.00 2.24 H new ATOM 0 HZ2 LYS A 5 -8.085 1.607 77.560 1.00 2.24 H new ATOM 0 HZ3 LYS A 5 -9.198 0.564 78.305 1.00 2.24 H new ATOM 79 N PHE A 6 -5.729 2.743 75.771 1.00 34.42 N ATOM 80 CA PHE A 6 -6.169 2.562 74.386 1.00 65.23 C ATOM 81 C PHE A 6 -7.674 2.298 74.385 1.00 31.13 C ATOM 82 O PHE A 6 -8.214 1.831 75.389 1.00 43.25 O ATOM 83 CB PHE A 6 -5.440 1.362 73.773 1.00 73.01 C ATOM 84 CG PHE A 6 -3.946 1.611 73.792 1.00 30.30 C ATOM 85 CD1 PHE A 6 -3.336 2.378 72.793 1.00 30.30 C ATOM 86 CD2 PHE A 6 -3.167 1.053 74.815 1.00 1.34 C ATOM 87 CE1 PHE A 6 -1.952 2.589 72.817 1.00 32.22 C ATOM 88 CE2 PHE A 6 -1.784 1.266 74.840 1.00 5.13 C ATOM 89 CZ PHE A 6 -1.177 2.033 73.841 1.00 14.35 C ATOM 0 H PHE A 6 -5.872 1.926 76.364 1.00 34.42 H new ATOM 0 HA PHE A 6 -5.945 3.455 73.802 1.00 65.23 H new ATOM 0 HB2 PHE A 6 -5.675 0.456 74.332 1.00 73.01 H new ATOM 0 HB3 PHE A 6 -5.779 1.202 72.750 1.00 73.01 H new ATOM 0 HD1 PHE A 6 -3.933 2.808 72.003 1.00 30.30 H new ATOM 0 HD2 PHE A 6 -3.635 0.458 75.585 1.00 1.34 H new ATOM 0 HE1 PHE A 6 -1.483 3.181 72.045 1.00 32.22 H new ATOM 0 HE2 PHE A 6 -1.186 0.838 75.631 1.00 5.13 H new ATOM 0 HZ PHE A 6 -0.110 2.196 73.860 1.00 14.35 H new ATOM 99 N ASN A 7 -8.366 2.606 73.287 1.00 24.33 N ATOM 100 CA ASN A 7 -9.812 2.389 73.264 1.00 2.44 C ATOM 101 C ASN A 7 -10.106 0.903 73.092 1.00 4.24 C ATOM 102 O ASN A 7 -9.210 0.113 72.795 1.00 63.22 O ATOM 103 CB ASN A 7 -10.463 3.193 72.130 1.00 1.34 C ATOM 104 CG ASN A 7 -10.154 2.556 70.781 1.00 61.41 C ATOM 105 OD1 ASN A 7 -9.292 1.690 70.695 1.00 31.24 O ATOM 106 ND2 ASN A 7 -10.811 2.939 69.721 1.00 44.11 N ATOM 0 H ASN A 7 -7.967 2.992 72.432 1.00 24.33 H new ATOM 0 HA ASN A 7 -10.233 2.731 74.210 1.00 2.44 H new ATOM 0 HB2 ASN A 7 -11.542 3.237 72.280 1.00 1.34 H new ATOM 0 HB3 ASN A 7 -10.097 4.219 72.147 1.00 1.34 H new ATOM 0 HD21 ASN A 7 -10.608 2.517 68.815 1.00 44.11 H new ATOM 0 HD22 ASN A 7 -11.528 3.661 69.798 1.00 44.11 H new ATOM 113 N LYS A 8 -11.355 0.522 73.320 1.00 61.30 N ATOM 114 CA LYS A 8 -11.733 -0.879 73.227 1.00 61.55 C ATOM 115 C LYS A 8 -11.538 -1.473 71.830 1.00 72.40 C ATOM 116 O LYS A 8 -11.122 -2.624 71.708 1.00 42.23 O ATOM 117 CB LYS A 8 -13.200 -1.031 73.655 1.00 32.14 C ATOM 118 CG LYS A 8 -14.122 -0.379 72.616 1.00 14.23 C ATOM 119 CD LYS A 8 -15.567 -0.419 73.116 1.00 51.30 C ATOM 120 CE LYS A 8 -16.512 -0.064 71.964 1.00 52.51 C ATOM 121 NZ LYS A 8 -17.923 -0.139 72.435 1.00 71.20 N ATOM 0 H LYS A 8 -12.115 1.156 73.568 1.00 61.30 H new ATOM 0 HA LYS A 8 -11.071 -1.434 73.892 1.00 61.55 H new ATOM 0 HB2 LYS A 8 -13.448 -2.087 73.762 1.00 32.14 H new ATOM 0 HB3 LYS A 8 -13.353 -0.568 74.630 1.00 32.14 H new ATOM 0 HG2 LYS A 8 -13.816 0.652 72.439 1.00 14.23 H new ATOM 0 HG3 LYS A 8 -14.041 -0.903 71.664 1.00 14.23 H new ATOM 0 HD2 LYS A 8 -15.803 -1.411 73.502 1.00 51.30 H new ATOM 0 HD3 LYS A 8 -15.699 0.283 73.939 1.00 51.30 H new ATOM 0 HE2 LYS A 8 -16.293 0.939 71.597 1.00 52.51 H new ATOM 0 HE3 LYS A 8 -16.359 -0.749 71.130 1.00 52.51 H new ATOM 0 HZ1 LYS A 8 -18.564 0.102 71.652 1.00 71.20 H new ATOM 0 HZ2 LYS A 8 -18.128 -1.104 72.765 1.00 71.20 H new ATOM 0 HZ3 LYS A 8 -18.064 0.532 73.217 1.00 71.20 H new ATOM 135 N GLU A 9 -11.857 -0.721 70.775 1.00 72.23 N ATOM 136 CA GLU A 9 -11.709 -1.277 69.430 1.00 15.52 C ATOM 137 C GLU A 9 -10.253 -1.576 69.080 1.00 22.04 C ATOM 138 O GLU A 9 -9.956 -2.579 68.431 1.00 4.12 O ATOM 139 CB GLU A 9 -12.281 -0.298 68.404 1.00 2.22 C ATOM 140 CG GLU A 9 -13.788 -0.150 68.625 1.00 55.14 C ATOM 141 CD GLU A 9 -14.383 0.771 67.566 1.00 44.44 C ATOM 142 OE1 GLU A 9 -13.616 1.374 66.833 1.00 35.20 O ATOM 143 OE2 GLU A 9 -15.598 0.861 67.503 1.00 40.33 O ATOM 0 H GLU A 9 -12.206 0.236 70.819 1.00 72.23 H new ATOM 0 HA GLU A 9 -12.256 -2.220 69.408 1.00 15.52 H new ATOM 0 HB2 GLU A 9 -11.792 0.671 68.499 1.00 2.22 H new ATOM 0 HB3 GLU A 9 -12.084 -0.657 67.394 1.00 2.22 H new ATOM 0 HG2 GLU A 9 -14.268 -1.128 68.580 1.00 55.14 H new ATOM 0 HG3 GLU A 9 -13.980 0.254 69.619 1.00 55.14 H new ATOM 150 N GLN A 10 -9.349 -0.708 69.520 1.00 44.42 N ATOM 151 CA GLN A 10 -7.927 -0.897 69.254 1.00 55.14 C ATOM 152 C GLN A 10 -7.379 -2.180 69.865 1.00 44.55 C ATOM 153 O GLN A 10 -6.517 -2.835 69.278 1.00 74.40 O ATOM 154 CB GLN A 10 -7.133 0.322 69.719 1.00 42.31 C ATOM 155 CG GLN A 10 -5.672 0.194 69.289 1.00 54.11 C ATOM 156 CD GLN A 10 -4.894 1.397 69.802 1.00 24.14 C ATOM 157 OE1 GLN A 10 -3.670 1.445 69.690 1.00 71.44 O ATOM 158 NE2 GLN A 10 -5.548 2.393 70.333 1.00 70.02 N ATOM 0 H GLN A 10 -9.573 0.128 70.059 1.00 44.42 H new ATOM 0 HA GLN A 10 -7.812 -1.001 68.175 1.00 55.14 H new ATOM 0 HB2 GLN A 10 -7.566 1.229 69.298 1.00 42.31 H new ATOM 0 HB3 GLN A 10 -7.194 0.413 70.803 1.00 42.31 H new ATOM 0 HG2 GLN A 10 -5.243 -0.727 69.684 1.00 54.11 H new ATOM 0 HG3 GLN A 10 -5.603 0.137 68.203 1.00 54.11 H new ATOM 0 HE21 GLN A 10 -6.563 2.347 70.423 1.00 70.02 H new ATOM 0 HE22 GLN A 10 -5.044 3.218 70.658 1.00 70.02 H new ATOM 167 N GLN A 11 -7.848 -2.517 71.061 1.00 23.31 N ATOM 168 CA GLN A 11 -7.347 -3.707 71.739 1.00 35.21 C ATOM 169 C GLN A 11 -7.532 -4.955 70.887 1.00 31.32 C ATOM 170 O GLN A 11 -6.652 -5.817 70.843 1.00 14.42 O ATOM 171 CB GLN A 11 -8.080 -3.887 73.069 1.00 43.44 C ATOM 172 CG GLN A 11 -7.418 -5.011 73.870 1.00 25.43 C ATOM 173 CD GLN A 11 -8.123 -5.178 75.211 1.00 5.02 C ATOM 174 OE1 GLN A 11 -8.981 -4.370 75.567 1.00 45.33 O ATOM 175 NE2 GLN A 11 -7.811 -6.185 75.979 1.00 62.12 N ATOM 0 H GLN A 11 -8.560 -1.996 71.573 1.00 23.31 H new ATOM 0 HA GLN A 11 -6.280 -3.570 71.914 1.00 35.21 H new ATOM 0 HB2 GLN A 11 -8.056 -2.958 73.638 1.00 43.44 H new ATOM 0 HB3 GLN A 11 -9.129 -4.123 72.889 1.00 43.44 H new ATOM 0 HG2 GLN A 11 -7.461 -5.944 73.308 1.00 25.43 H new ATOM 0 HG3 GLN A 11 -6.364 -4.784 74.029 1.00 25.43 H new ATOM 0 HE21 GLN A 11 -7.100 -6.853 75.681 1.00 62.12 H new ATOM 0 HE22 GLN A 11 -8.278 -6.305 76.878 1.00 62.12 H new ATOM 184 N ASN A 12 -8.663 -5.052 70.197 1.00 13.41 N ATOM 185 CA ASN A 12 -8.905 -6.208 69.347 1.00 72.10 C ATOM 186 C ASN A 12 -7.809 -6.363 68.309 1.00 64.04 C ATOM 187 O ASN A 12 -7.383 -7.477 67.995 1.00 71.12 O ATOM 188 CB ASN A 12 -10.251 -6.067 68.638 1.00 65.50 C ATOM 189 CG ASN A 12 -10.572 -7.350 67.875 1.00 14.44 C ATOM 190 OD1 ASN A 12 -10.498 -7.375 66.646 1.00 30.24 O ATOM 191 ND2 ASN A 12 -10.894 -8.427 68.533 1.00 22.34 N ATOM 0 H ASN A 12 -9.412 -4.359 70.209 1.00 13.41 H new ATOM 0 HA ASN A 12 -8.914 -7.093 69.983 1.00 72.10 H new ATOM 0 HB2 ASN A 12 -11.036 -5.860 69.366 1.00 65.50 H new ATOM 0 HB3 ASN A 12 -10.223 -5.222 67.950 1.00 65.50 H new ATOM 0 HD21 ASN A 12 -11.085 -9.294 68.030 1.00 22.34 H new ATOM 0 HD22 ASN A 12 -10.955 -8.404 69.551 1.00 22.34 H new ATOM 198 N ALA A 13 -7.365 -5.238 67.762 1.00 31.21 N ATOM 199 CA ALA A 13 -6.334 -5.270 66.746 1.00 71.52 C ATOM 200 C ALA A 13 -5.016 -5.804 67.284 1.00 24.53 C ATOM 201 O ALA A 13 -4.285 -6.489 66.575 1.00 54.55 O ATOM 202 CB ALA A 13 -6.117 -3.864 66.189 1.00 63.24 C ATOM 0 H ALA A 13 -7.701 -4.306 68.004 1.00 31.21 H new ATOM 0 HA ALA A 13 -6.672 -5.944 65.959 1.00 71.52 H new ATOM 0 HB1 ALA A 13 -5.340 -3.891 65.425 1.00 63.24 H new ATOM 0 HB2 ALA A 13 -7.046 -3.499 65.750 1.00 63.24 H new ATOM 0 HB3 ALA A 13 -5.810 -3.197 66.994 1.00 63.24 H new ATOM 208 N PHE A 14 -4.703 -5.463 68.530 1.00 65.22 N ATOM 209 CA PHE A 14 -3.444 -5.892 69.121 1.00 35.44 C ATOM 210 C PHE A 14 -3.317 -7.415 69.145 1.00 4.41 C ATOM 211 O PHE A 14 -2.278 -7.961 68.770 1.00 71.43 O ATOM 212 CB PHE A 14 -3.360 -5.318 70.540 1.00 55.01 C ATOM 213 CG PHE A 14 -2.017 -5.611 71.163 1.00 50.04 C ATOM 214 CD1 PHE A 14 -0.928 -4.775 70.890 1.00 74.13 C ATOM 215 CD2 PHE A 14 -1.863 -6.705 72.021 1.00 43.20 C ATOM 216 CE1 PHE A 14 0.318 -5.034 71.474 1.00 14.34 C ATOM 217 CE2 PHE A 14 -0.618 -6.961 72.608 1.00 42.42 C ATOM 218 CZ PHE A 14 0.472 -6.127 72.335 1.00 2.31 C ATOM 0 H PHE A 14 -5.295 -4.900 69.141 1.00 65.22 H new ATOM 0 HA PHE A 14 -2.619 -5.521 68.513 1.00 35.44 H new ATOM 0 HB2 PHE A 14 -3.524 -4.241 70.511 1.00 55.01 H new ATOM 0 HB3 PHE A 14 -4.152 -5.744 71.156 1.00 55.01 H new ATOM 0 HD1 PHE A 14 -1.049 -3.930 70.229 1.00 74.13 H new ATOM 0 HD2 PHE A 14 -2.703 -7.351 72.230 1.00 43.20 H new ATOM 0 HE1 PHE A 14 1.159 -4.391 71.260 1.00 14.34 H new ATOM 0 HE2 PHE A 14 -0.499 -7.804 73.273 1.00 42.42 H new ATOM 0 HZ PHE A 14 1.432 -6.326 72.788 1.00 2.31 H new ATOM 228 N TRP A 15 -4.377 -8.102 69.564 1.00 12.23 N ATOM 229 CA TRP A 15 -4.353 -9.565 69.598 1.00 25.15 C ATOM 230 C TRP A 15 -4.139 -10.202 68.230 1.00 25.25 C ATOM 231 O TRP A 15 -3.465 -11.227 68.122 1.00 74.33 O ATOM 232 CB TRP A 15 -5.644 -10.109 70.221 1.00 34.13 C ATOM 233 CG TRP A 15 -5.643 -9.833 71.686 1.00 51.05 C ATOM 234 CD1 TRP A 15 -6.359 -8.874 72.313 1.00 42.54 C ATOM 235 CD2 TRP A 15 -4.889 -10.529 72.715 1.00 12.12 C ATOM 236 NE1 TRP A 15 -6.088 -8.936 73.670 1.00 41.15 N ATOM 237 CE2 TRP A 15 -5.186 -9.942 73.967 1.00 34.20 C ATOM 238 CE3 TRP A 15 -3.980 -11.606 72.680 1.00 4.10 C ATOM 239 CZ2 TRP A 15 -4.604 -10.406 75.147 1.00 4.31 C ATOM 240 CZ3 TRP A 15 -3.392 -12.075 73.866 1.00 73.32 C ATOM 241 CH2 TRP A 15 -3.704 -11.476 75.097 1.00 14.45 C ATOM 0 H TRP A 15 -5.250 -7.680 69.880 1.00 12.23 H new ATOM 0 HA TRP A 15 -3.495 -9.836 70.213 1.00 25.15 H new ATOM 0 HB2 TRP A 15 -6.511 -9.643 69.753 1.00 34.13 H new ATOM 0 HB3 TRP A 15 -5.723 -11.181 70.042 1.00 34.13 H new ATOM 0 HD1 TRP A 15 -7.031 -8.176 71.836 1.00 42.54 H new ATOM 0 HE1 TRP A 15 -6.503 -8.316 74.365 1.00 41.15 H new ATOM 0 HE3 TRP A 15 -3.735 -12.072 71.737 1.00 4.10 H new ATOM 0 HZ2 TRP A 15 -4.846 -9.943 76.092 1.00 4.31 H new ATOM 0 HZ3 TRP A 15 -2.696 -12.900 73.831 1.00 73.32 H new ATOM 0 HH2 TRP A 15 -3.249 -11.841 76.006 1.00 14.45 H new ATOM 252 N GLU A 16 -4.740 -9.633 67.191 1.00 74.21 N ATOM 253 CA GLU A 16 -4.607 -10.230 65.868 1.00 41.10 C ATOM 254 C GLU A 16 -3.162 -10.224 65.390 1.00 51.32 C ATOM 255 O GLU A 16 -2.717 -11.172 64.739 1.00 41.00 O ATOM 256 CB GLU A 16 -5.469 -9.460 64.866 1.00 2.25 C ATOM 257 CG GLU A 16 -6.959 -9.608 65.213 1.00 70.52 C ATOM 258 CD GLU A 16 -7.397 -11.070 65.133 1.00 51.23 C ATOM 259 OE1 GLU A 16 -6.697 -11.849 64.507 1.00 3.24 O ATOM 260 OE2 GLU A 16 -8.441 -11.384 65.681 1.00 0.43 O ATOM 0 H GLU A 16 -5.307 -8.786 67.234 1.00 74.21 H new ATOM 0 HA GLU A 16 -4.940 -11.266 65.937 1.00 41.10 H new ATOM 0 HB2 GLU A 16 -5.191 -8.406 64.872 1.00 2.25 H new ATOM 0 HB3 GLU A 16 -5.286 -9.832 63.858 1.00 2.25 H new ATOM 0 HG2 GLU A 16 -7.142 -9.224 66.217 1.00 70.52 H new ATOM 0 HG3 GLU A 16 -7.557 -9.007 64.528 1.00 70.52 H new ATOM 267 N ILE A 17 -2.419 -9.173 65.722 1.00 1.12 N ATOM 268 CA ILE A 17 -1.028 -9.118 65.308 1.00 74.12 C ATOM 269 C ILE A 17 -0.275 -10.298 65.912 1.00 52.43 C ATOM 270 O ILE A 17 0.529 -10.949 65.246 1.00 71.24 O ATOM 271 CB ILE A 17 -0.388 -7.794 65.767 1.00 31.21 C ATOM 272 CG1 ILE A 17 -1.187 -6.583 65.240 1.00 21.11 C ATOM 273 CG2 ILE A 17 1.055 -7.706 65.251 1.00 5.42 C ATOM 274 CD1 ILE A 17 -1.515 -6.740 63.750 1.00 11.10 C ATOM 0 H ILE A 17 -2.747 -8.371 66.261 1.00 1.12 H new ATOM 0 HA ILE A 17 -0.974 -9.171 64.221 1.00 74.12 H new ATOM 0 HB ILE A 17 -0.396 -7.774 66.857 1.00 31.21 H new ATOM 0 HG12 ILE A 17 -2.111 -6.478 65.809 1.00 21.11 H new ATOM 0 HG13 ILE A 17 -0.612 -5.670 65.394 1.00 21.11 H new ATOM 0 HG21 ILE A 17 1.502 -6.768 65.579 1.00 5.42 H new ATOM 0 HG22 ILE A 17 1.634 -8.541 65.645 1.00 5.42 H new ATOM 0 HG23 ILE A 17 1.055 -7.747 64.162 1.00 5.42 H new ATOM 0 HD11 ILE A 17 -2.078 -5.872 63.408 1.00 11.10 H new ATOM 0 HD12 ILE A 17 -0.589 -6.820 63.180 1.00 11.10 H new ATOM 0 HD13 ILE A 17 -2.111 -7.640 63.602 1.00 11.10 H new ATOM 286 N LEU A 18 -0.557 -10.570 67.183 1.00 13.32 N ATOM 287 CA LEU A 18 0.080 -11.680 67.881 1.00 64.35 C ATOM 288 C LEU A 18 -0.279 -13.023 67.244 1.00 73.55 C ATOM 289 O LEU A 18 0.513 -13.965 67.242 1.00 1.11 O ATOM 290 CB LEU A 18 -0.430 -11.731 69.327 1.00 23.24 C ATOM 291 CG LEU A 18 -0.177 -10.407 70.063 1.00 32.10 C ATOM 292 CD1 LEU A 18 -0.591 -10.562 71.533 1.00 51.45 C ATOM 293 CD2 LEU A 18 1.304 -10.021 69.979 1.00 62.50 C ATOM 0 H LEU A 18 -1.220 -10.039 67.748 1.00 13.32 H new ATOM 0 HA LEU A 18 1.157 -11.519 67.830 1.00 64.35 H new ATOM 0 HB2 LEU A 18 -1.498 -11.951 69.329 1.00 23.24 H new ATOM 0 HB3 LEU A 18 0.064 -12.544 69.859 1.00 23.24 H new ATOM 0 HG LEU A 18 -0.766 -9.619 69.594 1.00 32.10 H new ATOM 0 HD11 LEU A 18 -0.414 -9.625 72.062 1.00 51.45 H new ATOM 0 HD12 LEU A 18 -1.650 -10.815 71.588 1.00 51.45 H new ATOM 0 HD13 LEU A 18 -0.004 -11.356 71.995 1.00 51.45 H new ATOM 0 HD21 LEU A 18 1.465 -9.080 70.506 1.00 62.50 H new ATOM 0 HD22 LEU A 18 1.910 -10.802 70.438 1.00 62.50 H new ATOM 0 HD23 LEU A 18 1.591 -9.905 68.934 1.00 62.50 H new ATOM 305 N HIS A 19 -1.530 -13.110 66.799 1.00 44.31 N ATOM 306 CA HIS A 19 -2.081 -14.351 66.259 1.00 21.24 C ATOM 307 C HIS A 19 -1.377 -14.945 65.028 1.00 30.12 C ATOM 308 O HIS A 19 -1.174 -16.147 64.988 1.00 12.43 O ATOM 309 CB HIS A 19 -3.555 -14.123 65.915 1.00 12.43 C ATOM 310 CG HIS A 19 -4.174 -15.416 65.457 1.00 42.34 C ATOM 311 ND1 HIS A 19 -4.257 -15.762 64.118 1.00 65.23 N ATOM 312 CD2 HIS A 19 -4.742 -16.456 66.150 1.00 34.10 C ATOM 313 CE1 HIS A 19 -4.856 -16.965 64.048 1.00 13.41 C ATOM 314 NE2 HIS A 19 -5.172 -17.433 65.258 1.00 31.43 N ATOM 0 H HIS A 19 -2.186 -12.329 66.802 1.00 44.31 H new ATOM 0 HA HIS A 19 -1.927 -15.087 67.048 1.00 21.24 H new ATOM 0 HB2 HIS A 19 -4.087 -13.742 66.787 1.00 12.43 H new ATOM 0 HB3 HIS A 19 -3.644 -13.369 65.133 1.00 12.43 H new ATOM 0 HD2 HIS A 19 -4.840 -16.508 67.224 1.00 34.10 H new ATOM 0 HE1 HIS A 19 -5.057 -17.489 63.125 1.00 13.41 H new ATOM 0 HE2 HIS A 19 -5.630 -18.317 65.480 1.00 31.43 H new ATOM 323 N LEU A 20 -1.040 -14.118 64.029 1.00 53.41 N ATOM 324 CA LEU A 20 -0.436 -14.617 62.765 1.00 33.53 C ATOM 325 C LEU A 20 0.462 -15.845 62.977 1.00 54.01 C ATOM 326 O LEU A 20 1.674 -15.698 63.155 1.00 31.14 O ATOM 327 CB LEU A 20 0.397 -13.499 62.124 1.00 25.23 C ATOM 328 CG LEU A 20 -0.340 -12.160 62.242 1.00 15.11 C ATOM 329 CD1 LEU A 20 0.383 -11.107 61.400 1.00 11.51 C ATOM 330 CD2 LEU A 20 -1.780 -12.312 61.742 1.00 14.15 C ATOM 0 H LEU A 20 -1.170 -13.107 64.061 1.00 53.41 H new ATOM 0 HA LEU A 20 -1.258 -14.918 62.115 1.00 33.53 H new ATOM 0 HB2 LEU A 20 1.369 -13.433 62.613 1.00 25.23 H new ATOM 0 HB3 LEU A 20 0.583 -13.729 61.075 1.00 25.23 H new ATOM 0 HG LEU A 20 -0.355 -11.849 63.286 1.00 15.11 H new ATOM 0 HD11 LEU A 20 -0.139 -10.154 61.482 1.00 11.51 H new ATOM 0 HD12 LEU A 20 1.406 -10.993 61.760 1.00 11.51 H new ATOM 0 HD13 LEU A 20 0.399 -11.423 60.357 1.00 11.51 H new ATOM 0 HD21 LEU A 20 -2.298 -11.357 61.829 1.00 14.15 H new ATOM 0 HD22 LEU A 20 -1.772 -12.627 60.698 1.00 14.15 H new ATOM 0 HD23 LEU A 20 -2.297 -13.061 62.343 1.00 14.15 H new ATOM 342 N PRO A 21 -0.089 -17.058 62.996 1.00 5.43 N ATOM 343 CA PRO A 21 0.743 -18.271 63.259 1.00 4.55 C ATOM 344 C PRO A 21 1.738 -18.577 62.137 1.00 42.01 C ATOM 345 O PRO A 21 2.842 -19.064 62.382 1.00 40.55 O ATOM 346 CB PRO A 21 -0.294 -19.396 63.426 1.00 51.03 C ATOM 347 CG PRO A 21 -1.474 -18.962 62.615 1.00 52.01 C ATOM 348 CD PRO A 21 -1.504 -17.425 62.676 1.00 10.12 C ATOM 0 HA PRO A 21 1.378 -18.141 64.135 1.00 4.55 H new ATOM 0 HB2 PRO A 21 0.098 -20.349 63.072 1.00 51.03 H new ATOM 0 HB3 PRO A 21 -0.564 -19.531 64.473 1.00 51.03 H new ATOM 0 HG2 PRO A 21 -1.385 -19.308 61.585 1.00 52.01 H new ATOM 0 HG3 PRO A 21 -2.396 -19.384 63.015 1.00 52.01 H new ATOM 0 HD2 PRO A 21 -1.826 -16.992 61.729 1.00 10.12 H new ATOM 0 HD3 PRO A 21 -2.194 -17.067 63.441 1.00 10.12 H new ATOM 356 N ASN A 22 1.313 -18.310 60.904 1.00 21.44 N ATOM 357 CA ASN A 22 2.139 -18.581 59.733 1.00 1.13 C ATOM 358 C ASN A 22 3.477 -17.842 59.759 1.00 54.44 C ATOM 359 O ASN A 22 4.491 -18.374 59.313 1.00 64.32 O ATOM 360 CB ASN A 22 1.351 -18.212 58.467 1.00 64.41 C ATOM 361 CG ASN A 22 0.134 -19.118 58.336 1.00 1.31 C ATOM 362 OD1 ASN A 22 0.076 -20.177 58.961 1.00 33.00 O ATOM 363 ND2 ASN A 22 -0.854 -18.758 57.562 1.00 41.12 N ATOM 0 H ASN A 22 0.401 -17.906 60.691 1.00 21.44 H new ATOM 0 HA ASN A 22 2.378 -19.645 59.738 1.00 1.13 H new ATOM 0 HB2 ASN A 22 1.037 -17.169 58.514 1.00 64.41 H new ATOM 0 HB3 ASN A 22 1.988 -18.314 57.588 1.00 64.41 H new ATOM 0 HD21 ASN A 22 -1.677 -19.355 57.474 1.00 41.12 H new ATOM 0 HD22 ASN A 22 -0.803 -17.880 57.045 1.00 41.12 H new ATOM 370 N LEU A 23 3.478 -16.607 60.274 1.00 72.44 N ATOM 371 CA LEU A 23 4.707 -15.790 60.327 1.00 24.15 C ATOM 372 C LEU A 23 5.448 -15.904 61.649 1.00 4.35 C ATOM 373 O LEU A 23 4.849 -16.061 62.712 1.00 20.33 O ATOM 374 CB LEU A 23 4.464 -14.301 60.006 1.00 62.31 C ATOM 375 CG LEU A 23 3.954 -14.057 58.562 1.00 5.24 C ATOM 376 CD1 LEU A 23 5.137 -14.034 57.585 1.00 2.41 C ATOM 377 CD2 LEU A 23 2.983 -15.129 58.105 1.00 50.21 C ATOM 0 H LEU A 23 2.651 -16.150 60.658 1.00 72.44 H new ATOM 0 HA LEU A 23 5.336 -16.212 59.543 1.00 24.15 H new ATOM 0 HB2 LEU A 23 3.738 -13.899 60.713 1.00 62.31 H new ATOM 0 HB3 LEU A 23 5.392 -13.749 60.154 1.00 62.31 H new ATOM 0 HG LEU A 23 3.435 -13.098 58.570 1.00 5.24 H new ATOM 0 HD11 LEU A 23 4.770 -13.862 56.573 1.00 2.41 H new ATOM 0 HD12 LEU A 23 5.823 -13.234 57.863 1.00 2.41 H new ATOM 0 HD13 LEU A 23 5.660 -14.990 57.624 1.00 2.41 H new ATOM 0 HD21 LEU A 23 2.655 -14.913 57.088 1.00 50.21 H new ATOM 0 HD22 LEU A 23 3.476 -16.101 58.129 1.00 50.21 H new ATOM 0 HD23 LEU A 23 2.119 -15.145 58.769 1.00 50.21 H new ATOM 389 N ASN A 24 6.777 -15.827 61.553 1.00 53.33 N ATOM 390 CA ASN A 24 7.640 -15.923 62.721 1.00 34.12 C ATOM 391 C ASN A 24 7.562 -14.646 63.555 1.00 21.20 C ATOM 392 O ASN A 24 6.914 -13.675 63.165 1.00 4.03 O ATOM 393 CB ASN A 24 9.086 -16.170 62.283 1.00 54.45 C ATOM 394 CG ASN A 24 9.635 -14.950 61.548 1.00 14.24 C ATOM 395 OD1 ASN A 24 10.797 -14.943 61.142 1.00 52.10 O ATOM 396 ND2 ASN A 24 8.864 -13.917 61.340 1.00 10.10 N ATOM 0 H ASN A 24 7.276 -15.698 60.673 1.00 53.33 H new ATOM 0 HA ASN A 24 7.301 -16.759 63.333 1.00 34.12 H new ATOM 0 HB2 ASN A 24 9.705 -16.387 63.154 1.00 54.45 H new ATOM 0 HB3 ASN A 24 9.132 -17.045 61.634 1.00 54.45 H new ATOM 0 HD21 ASN A 24 9.225 -13.104 60.841 1.00 10.10 H new ATOM 0 HD22 ASN A 24 7.901 -13.923 61.677 1.00 10.10 H new ATOM 403 N GLU A 25 8.183 -14.682 64.726 1.00 2.50 N ATOM 404 CA GLU A 25 8.139 -13.552 65.649 1.00 70.01 C ATOM 405 C GLU A 25 8.757 -12.263 65.096 1.00 23.41 C ATOM 406 O GLU A 25 8.298 -11.177 65.437 1.00 54.44 O ATOM 407 CB GLU A 25 8.865 -13.931 66.941 1.00 41.34 C ATOM 408 CG GLU A 25 8.117 -15.071 67.633 1.00 14.41 C ATOM 409 CD GLU A 25 8.796 -15.410 68.955 1.00 31.22 C ATOM 410 OE1 GLU A 25 9.875 -14.892 69.195 1.00 53.54 O ATOM 411 OE2 GLU A 25 8.229 -16.185 69.708 1.00 60.43 O ATOM 0 H GLU A 25 8.723 -15.480 65.061 1.00 2.50 H new ATOM 0 HA GLU A 25 7.084 -13.342 65.822 1.00 70.01 H new ATOM 0 HB2 GLU A 25 9.888 -14.235 66.720 1.00 41.34 H new ATOM 0 HB3 GLU A 25 8.925 -13.067 67.603 1.00 41.34 H new ATOM 0 HG2 GLU A 25 7.081 -14.783 67.810 1.00 14.41 H new ATOM 0 HG3 GLU A 25 8.098 -15.950 66.988 1.00 14.41 H new ATOM 418 N GLU A 26 9.806 -12.339 64.283 1.00 15.03 N ATOM 419 CA GLU A 26 10.404 -11.094 63.795 1.00 73.00 C ATOM 420 C GLU A 26 9.418 -10.296 62.938 1.00 60.10 C ATOM 421 O GLU A 26 9.363 -9.059 63.011 1.00 20.24 O ATOM 422 CB GLU A 26 11.651 -11.410 62.968 1.00 33.15 C ATOM 423 CG GLU A 26 12.711 -12.053 63.864 1.00 23.24 C ATOM 424 CD GLU A 26 13.984 -12.311 63.065 1.00 21.30 C ATOM 425 OE1 GLU A 26 13.942 -12.147 61.856 1.00 33.33 O ATOM 426 OE2 GLU A 26 14.979 -12.667 63.673 1.00 64.52 O ATOM 0 H GLU A 26 10.244 -13.201 63.959 1.00 15.03 H new ATOM 0 HA GLU A 26 10.672 -10.490 64.662 1.00 73.00 H new ATOM 0 HB2 GLU A 26 11.396 -12.083 62.149 1.00 33.15 H new ATOM 0 HB3 GLU A 26 12.044 -10.497 62.520 1.00 33.15 H new ATOM 0 HG2 GLU A 26 12.929 -11.400 64.709 1.00 23.24 H new ATOM 0 HG3 GLU A 26 12.333 -12.990 64.274 1.00 23.24 H new ATOM 433 N GLN A 27 8.612 -11.003 62.154 1.00 53.11 N ATOM 434 CA GLN A 27 7.616 -10.338 61.323 1.00 10.33 C ATOM 435 C GLN A 27 6.646 -9.555 62.187 1.00 42.41 C ATOM 436 O GLN A 27 6.216 -8.455 61.839 1.00 34.43 O ATOM 437 CB GLN A 27 6.834 -11.391 60.544 1.00 64.43 C ATOM 438 CG GLN A 27 5.907 -10.728 59.519 1.00 31.30 C ATOM 439 CD GLN A 27 6.721 -10.126 58.380 1.00 54.30 C ATOM 440 OE1 GLN A 27 7.681 -10.737 57.910 1.00 43.24 O ATOM 441 NE2 GLN A 27 6.381 -8.963 57.895 1.00 5.41 N ATOM 0 H GLN A 27 8.627 -12.020 62.076 1.00 53.11 H new ATOM 0 HA GLN A 27 8.124 -9.655 60.642 1.00 10.33 H new ATOM 0 HB2 GLN A 27 7.526 -12.063 60.035 1.00 64.43 H new ATOM 0 HB3 GLN A 27 6.247 -11.999 61.233 1.00 64.43 H new ATOM 0 HG2 GLN A 27 5.205 -11.463 59.124 1.00 31.30 H new ATOM 0 HG3 GLN A 27 5.316 -9.951 60.003 1.00 31.30 H new ATOM 0 HE21 GLN A 27 5.585 -8.460 58.287 1.00 5.41 H new ATOM 0 HE22 GLN A 27 6.911 -8.557 57.124 1.00 5.41 H new ATOM 450 N ARG A 28 6.293 -10.162 63.310 1.00 62.14 N ATOM 451 CA ARG A 28 5.352 -9.563 64.237 1.00 4.15 C ATOM 452 C ARG A 28 5.828 -8.193 64.702 1.00 35.40 C ATOM 453 O ARG A 28 5.037 -7.259 64.828 1.00 32.24 O ATOM 454 CB ARG A 28 5.204 -10.512 65.427 1.00 51.12 C ATOM 455 CG ARG A 28 4.138 -10.014 66.388 1.00 62.14 C ATOM 456 CD ARG A 28 4.110 -10.946 67.597 1.00 71.02 C ATOM 457 NE ARG A 28 3.756 -12.298 67.180 1.00 31.13 N ATOM 458 CZ ARG A 28 3.893 -13.330 68.007 1.00 54.21 C ATOM 459 NH1 ARG A 28 4.356 -13.143 69.212 1.00 41.20 N ATOM 460 NH2 ARG A 28 3.563 -14.530 67.614 1.00 12.35 N ATOM 0 H ARG A 28 6.647 -11.073 63.600 1.00 62.14 H new ATOM 0 HA ARG A 28 4.392 -9.414 63.743 1.00 4.15 H new ATOM 0 HB2 ARG A 28 4.942 -11.509 65.072 1.00 51.12 H new ATOM 0 HB3 ARG A 28 6.157 -10.599 65.948 1.00 51.12 H new ATOM 0 HG2 ARG A 28 4.356 -8.993 66.701 1.00 62.14 H new ATOM 0 HG3 ARG A 28 3.164 -9.997 65.899 1.00 62.14 H new ATOM 0 HD2 ARG A 28 5.085 -10.951 68.085 1.00 71.02 H new ATOM 0 HD3 ARG A 28 3.389 -10.583 68.329 1.00 71.02 H new ATOM 0 HE ARG A 28 3.397 -12.454 66.238 1.00 31.13 H new ATOM 0 HH11 ARG A 28 4.613 -12.205 69.520 1.00 41.20 H new ATOM 0 HH12 ARG A 28 4.461 -13.935 69.847 1.00 41.20 H new ATOM 0 HH21 ARG A 28 3.200 -14.676 66.672 1.00 12.35 H new ATOM 0 HH22 ARG A 28 3.668 -15.321 68.249 1.00 12.35 H new ATOM 474 N ASN A 29 7.128 -8.081 64.954 1.00 24.15 N ATOM 475 CA ASN A 29 7.700 -6.819 65.403 1.00 60.44 C ATOM 476 C ASN A 29 7.456 -5.686 64.420 1.00 75.34 C ATOM 477 O ASN A 29 7.257 -4.542 64.831 1.00 70.51 O ATOM 478 CB ASN A 29 9.204 -6.959 65.634 1.00 73.24 C ATOM 479 CG ASN A 29 9.724 -5.709 66.334 1.00 64.23 C ATOM 480 OD1 ASN A 29 10.931 -5.561 66.530 1.00 23.13 O ATOM 481 ND2 ASN A 29 8.876 -4.794 66.723 1.00 22.23 N ATOM 0 H ASN A 29 7.800 -8.842 64.856 1.00 24.15 H new ATOM 0 HA ASN A 29 7.198 -6.572 66.339 1.00 60.44 H new ATOM 0 HB2 ASN A 29 9.410 -7.841 66.240 1.00 73.24 H new ATOM 0 HB3 ASN A 29 9.718 -7.098 64.683 1.00 73.24 H new ATOM 0 HD21 ASN A 29 9.213 -3.953 67.191 1.00 22.23 H new ATOM 0 HD22 ASN A 29 7.877 -4.921 66.558 1.00 22.23 H new ATOM 488 N GLY A 30 7.529 -5.976 63.122 1.00 62.31 N ATOM 489 CA GLY A 30 7.369 -4.902 62.147 1.00 31.33 C ATOM 490 C GLY A 30 6.046 -4.150 62.303 1.00 73.22 C ATOM 491 O GLY A 30 6.030 -2.921 62.252 1.00 3.32 O ATOM 0 H GLY A 30 7.691 -6.905 62.734 1.00 62.31 H new ATOM 0 HA2 GLY A 30 8.195 -4.199 62.250 1.00 31.33 H new ATOM 0 HA3 GLY A 30 7.428 -5.319 61.142 1.00 31.33 H new ATOM 495 N PHE A 31 4.946 -4.865 62.535 1.00 73.50 N ATOM 496 CA PHE A 31 3.668 -4.182 62.738 1.00 73.42 C ATOM 497 C PHE A 31 3.642 -3.318 63.993 1.00 41.15 C ATOM 498 O PHE A 31 3.062 -2.232 63.988 1.00 74.33 O ATOM 499 CB PHE A 31 2.489 -5.165 62.758 1.00 34.44 C ATOM 500 CG PHE A 31 2.257 -5.730 61.375 1.00 40.40 C ATOM 501 CD1 PHE A 31 1.477 -4.996 60.473 1.00 60.55 C ATOM 502 CD2 PHE A 31 2.795 -6.964 60.992 1.00 40.02 C ATOM 503 CE1 PHE A 31 1.232 -5.487 59.191 1.00 24.35 C ATOM 504 CE2 PHE A 31 2.546 -7.460 59.700 1.00 64.45 C ATOM 505 CZ PHE A 31 1.762 -6.717 58.802 1.00 32.21 C ATOM 0 H PHE A 31 4.910 -5.883 62.586 1.00 73.50 H new ATOM 0 HA PHE A 31 3.559 -3.518 61.880 1.00 73.42 H new ATOM 0 HB2 PHE A 31 2.692 -5.974 63.460 1.00 34.44 H new ATOM 0 HB3 PHE A 31 1.589 -4.658 63.107 1.00 34.44 H new ATOM 0 HD1 PHE A 31 1.063 -4.044 60.772 1.00 60.55 H new ATOM 0 HD2 PHE A 31 3.398 -7.532 61.685 1.00 40.02 H new ATOM 0 HE1 PHE A 31 0.632 -4.915 58.499 1.00 24.35 H new ATOM 0 HE2 PHE A 31 2.957 -8.412 59.398 1.00 64.45 H new ATOM 0 HZ PHE A 31 1.570 -7.098 57.810 1.00 32.21 H new ATOM 515 N ILE A 32 4.226 -3.812 65.082 1.00 5.31 N ATOM 516 CA ILE A 32 4.191 -3.057 66.328 1.00 13.12 C ATOM 517 C ILE A 32 4.828 -1.687 66.191 1.00 53.33 C ATOM 518 O ILE A 32 4.307 -0.702 66.713 1.00 22.52 O ATOM 519 CB ILE A 32 4.920 -3.813 67.441 1.00 3.21 C ATOM 520 CG1 ILE A 32 4.246 -5.172 67.658 1.00 51.24 C ATOM 521 CG2 ILE A 32 4.847 -2.979 68.731 1.00 2.52 C ATOM 522 CD1 ILE A 32 5.048 -5.995 68.669 1.00 12.55 C ATOM 0 H ILE A 32 4.715 -4.706 65.127 1.00 5.31 H new ATOM 0 HA ILE A 32 3.137 -2.932 66.578 1.00 13.12 H new ATOM 0 HB ILE A 32 5.963 -3.975 67.167 1.00 3.21 H new ATOM 0 HG12 ILE A 32 3.227 -5.029 68.019 1.00 51.24 H new ATOM 0 HG13 ILE A 32 4.177 -5.709 66.712 1.00 51.24 H new ATOM 0 HG21 ILE A 32 5.363 -3.505 69.534 1.00 2.52 H new ATOM 0 HG22 ILE A 32 5.323 -2.012 68.567 1.00 2.52 H new ATOM 0 HG23 ILE A 32 3.804 -2.828 69.008 1.00 2.52 H new ATOM 0 HD11 ILE A 32 4.563 -6.960 68.819 1.00 12.55 H new ATOM 0 HD12 ILE A 32 6.058 -6.151 68.291 1.00 12.55 H new ATOM 0 HD13 ILE A 32 5.094 -5.461 69.618 1.00 12.55 H new ATOM 534 N GLN A 33 5.973 -1.619 65.527 1.00 33.25 N ATOM 535 CA GLN A 33 6.644 -0.339 65.410 1.00 44.43 C ATOM 536 C GLN A 33 5.749 0.656 64.683 1.00 41.02 C ATOM 537 O GLN A 33 5.660 1.828 65.059 1.00 62.52 O ATOM 538 CB GLN A 33 7.943 -0.538 64.633 1.00 11.33 C ATOM 539 CG GLN A 33 8.863 -1.454 65.444 1.00 23.13 C ATOM 540 CD GLN A 33 10.154 -1.725 64.681 1.00 61.31 C ATOM 541 OE1 GLN A 33 10.258 -1.402 63.498 1.00 3.21 O ATOM 542 NE2 GLN A 33 11.131 -2.349 65.281 1.00 22.34 N ATOM 0 H GLN A 33 6.441 -2.406 65.077 1.00 33.25 H new ATOM 0 HA GLN A 33 6.863 0.055 66.402 1.00 44.43 H new ATOM 0 HB2 GLN A 33 7.736 -0.978 63.657 1.00 11.33 H new ATOM 0 HB3 GLN A 33 8.427 0.422 64.454 1.00 11.33 H new ATOM 0 HG2 GLN A 33 9.091 -0.992 66.404 1.00 23.13 H new ATOM 0 HG3 GLN A 33 8.355 -2.395 65.656 1.00 23.13 H new ATOM 0 HE21 GLN A 33 11.040 -2.615 66.262 1.00 22.34 H new ATOM 0 HE22 GLN A 33 11.985 -2.571 64.769 1.00 22.34 H new ATOM 551 N SER A 34 5.050 0.165 63.665 1.00 11.43 N ATOM 552 CA SER A 34 4.126 1.002 62.922 1.00 62.44 C ATOM 553 C SER A 34 3.011 1.519 63.818 1.00 44.14 C ATOM 554 O SER A 34 2.547 2.649 63.665 1.00 31.42 O ATOM 555 CB SER A 34 3.522 0.208 61.763 1.00 73.44 C ATOM 556 OG SER A 34 4.569 -0.327 60.965 1.00 55.11 O ATOM 0 H SER A 34 5.107 -0.800 63.341 1.00 11.43 H new ATOM 0 HA SER A 34 4.681 1.856 62.534 1.00 62.44 H new ATOM 0 HB2 SER A 34 2.894 -0.596 62.146 1.00 73.44 H new ATOM 0 HB3 SER A 34 2.882 0.852 61.160 1.00 73.44 H new ATOM 0 HG SER A 34 4.908 -1.149 61.378 1.00 55.11 H new ATOM 562 N LEU A 35 2.557 0.660 64.735 1.00 61.32 N ATOM 563 CA LEU A 35 1.465 1.031 65.622 1.00 34.02 C ATOM 564 C LEU A 35 1.810 2.251 66.461 1.00 42.43 C ATOM 565 O LEU A 35 0.970 3.130 66.659 1.00 22.40 O ATOM 566 CB LEU A 35 1.158 -0.161 66.549 1.00 22.42 C ATOM 567 CG LEU A 35 -0.052 0.117 67.463 1.00 55.54 C ATOM 568 CD1 LEU A 35 -1.357 0.060 66.666 1.00 32.21 C ATOM 569 CD2 LEU A 35 -0.098 -0.945 68.565 1.00 41.21 C ATOM 0 H LEU A 35 2.925 -0.281 64.877 1.00 61.32 H new ATOM 0 HA LEU A 35 0.596 1.284 65.015 1.00 34.02 H new ATOM 0 HB2 LEU A 35 0.961 -1.048 65.947 1.00 22.42 H new ATOM 0 HB3 LEU A 35 2.033 -0.379 67.161 1.00 22.42 H new ATOM 0 HG LEU A 35 0.055 1.113 67.894 1.00 55.54 H new ATOM 0 HD11 LEU A 35 -2.198 0.259 67.330 1.00 32.21 H new ATOM 0 HD12 LEU A 35 -1.334 0.810 65.875 1.00 32.21 H new ATOM 0 HD13 LEU A 35 -1.470 -0.930 66.224 1.00 32.21 H new ATOM 0 HD21 LEU A 35 -0.951 -0.756 69.217 1.00 41.21 H new ATOM 0 HD22 LEU A 35 -0.197 -1.933 68.115 1.00 41.21 H new ATOM 0 HD23 LEU A 35 0.821 -0.903 69.149 1.00 41.21 H new ATOM 581 N LYS A 36 3.041 2.312 66.955 1.00 14.21 N ATOM 582 CA LYS A 36 3.434 3.454 67.764 1.00 33.34 C ATOM 583 C LYS A 36 3.340 4.763 66.984 1.00 11.12 C ATOM 584 O LYS A 36 2.921 5.787 67.524 1.00 20.33 O ATOM 585 CB LYS A 36 4.865 3.261 68.282 1.00 73.11 C ATOM 586 CG LYS A 36 5.226 4.392 69.254 1.00 31.42 C ATOM 587 CD LYS A 36 6.674 4.225 69.721 1.00 4.15 C ATOM 588 CE LYS A 36 6.985 5.260 70.806 1.00 25.42 C ATOM 589 NZ LYS A 36 8.267 4.908 71.479 1.00 71.12 N ATOM 0 H LYS A 36 3.764 1.606 66.815 1.00 14.21 H new ATOM 0 HA LYS A 36 2.742 3.516 68.604 1.00 33.34 H new ATOM 0 HB2 LYS A 36 4.953 2.297 68.783 1.00 73.11 H new ATOM 0 HB3 LYS A 36 5.565 3.250 67.447 1.00 73.11 H new ATOM 0 HG2 LYS A 36 5.100 5.359 68.766 1.00 31.42 H new ATOM 0 HG3 LYS A 36 4.553 4.377 70.111 1.00 31.42 H new ATOM 0 HD2 LYS A 36 6.828 3.218 70.109 1.00 4.15 H new ATOM 0 HD3 LYS A 36 7.355 4.349 68.879 1.00 4.15 H new ATOM 0 HE2 LYS A 36 7.055 6.254 70.365 1.00 25.42 H new ATOM 0 HE3 LYS A 36 6.176 5.291 71.536 1.00 25.42 H new ATOM 0 HZ1 LYS A 36 8.477 5.612 72.216 1.00 71.12 H new ATOM 0 HZ2 LYS A 36 8.184 3.967 71.913 1.00 71.12 H new ATOM 0 HZ3 LYS A 36 9.036 4.900 70.779 1.00 71.12 H new ATOM 603 N ASP A 37 3.773 4.734 65.721 1.00 24.34 N ATOM 604 CA ASP A 37 3.770 5.950 64.907 1.00 34.10 C ATOM 605 C ASP A 37 2.382 6.571 64.720 1.00 0.00 C ATOM 606 O ASP A 37 2.237 7.792 64.772 1.00 4.30 O ATOM 607 CB ASP A 37 4.355 5.627 63.531 1.00 73.02 C ATOM 608 CG ASP A 37 4.578 6.914 62.745 1.00 31.53 C ATOM 609 OD1 ASP A 37 4.372 7.974 63.313 1.00 72.31 O ATOM 610 OD2 ASP A 37 4.949 6.822 61.587 1.00 40.14 O ATOM 0 H ASP A 37 4.123 3.901 65.248 1.00 24.34 H new ATOM 0 HA ASP A 37 4.371 6.684 65.443 1.00 34.10 H new ATOM 0 HB2 ASP A 37 5.298 5.092 63.644 1.00 73.02 H new ATOM 0 HB3 ASP A 37 3.679 4.970 62.984 1.00 73.02 H new ATOM 615 N ASP A 38 1.364 5.736 64.495 1.00 14.53 N ATOM 616 CA ASP A 38 -0.007 6.235 64.294 1.00 52.01 C ATOM 617 C ASP A 38 -1.034 5.416 65.078 1.00 55.12 C ATOM 618 O ASP A 38 -1.746 4.616 64.473 1.00 54.45 O ATOM 619 CB ASP A 38 -0.351 6.182 62.801 1.00 64.33 C ATOM 620 CG ASP A 38 -1.555 7.074 62.511 1.00 75.33 C ATOM 621 OD1 ASP A 38 -2.465 7.084 63.324 1.00 43.12 O ATOM 622 OD2 ASP A 38 -1.545 7.735 61.487 1.00 43.15 O ATOM 0 H ASP A 38 1.457 4.721 64.447 1.00 14.53 H new ATOM 0 HA ASP A 38 -0.047 7.261 64.661 1.00 52.01 H new ATOM 0 HB2 ASP A 38 0.505 6.509 62.210 1.00 64.33 H new ATOM 0 HB3 ASP A 38 -0.569 5.156 62.506 1.00 64.33 H new ATOM 627 N PRO A 39 -1.154 5.547 66.372 1.00 2.35 N ATOM 628 CA PRO A 39 -2.155 4.723 67.108 1.00 63.52 C ATOM 629 C PRO A 39 -3.587 4.940 66.591 1.00 2.21 C ATOM 630 O PRO A 39 -4.401 4.016 66.609 1.00 61.23 O ATOM 631 CB PRO A 39 -1.994 5.167 68.581 1.00 53.14 C ATOM 632 CG PRO A 39 -1.269 6.482 68.527 1.00 51.34 C ATOM 633 CD PRO A 39 -0.402 6.445 67.266 1.00 64.23 C ATOM 0 HA PRO A 39 -1.985 3.655 66.975 1.00 63.52 H new ATOM 0 HB2 PRO A 39 -2.964 5.273 69.067 1.00 53.14 H new ATOM 0 HB3 PRO A 39 -1.430 4.431 69.153 1.00 53.14 H new ATOM 0 HG2 PRO A 39 -1.974 7.313 68.490 1.00 51.34 H new ATOM 0 HG3 PRO A 39 -0.655 6.624 69.416 1.00 51.34 H new ATOM 0 HD2 PRO A 39 -0.279 7.437 66.831 1.00 64.23 H new ATOM 0 HD3 PRO A 39 0.597 6.063 67.474 1.00 64.23 H new ATOM 641 N SER A 40 -3.887 6.151 66.116 1.00 4.33 N ATOM 642 CA SER A 40 -5.224 6.440 65.582 1.00 13.21 C ATOM 643 C SER A 40 -5.559 5.542 64.389 1.00 51.10 C ATOM 644 O SER A 40 -6.697 5.105 64.218 1.00 32.13 O ATOM 645 CB SER A 40 -5.304 7.905 65.155 1.00 51.14 C ATOM 646 OG SER A 40 -6.645 8.219 64.802 1.00 23.14 O ATOM 0 H SER A 40 -3.237 6.936 66.089 1.00 4.33 H new ATOM 0 HA SER A 40 -5.949 6.241 66.371 1.00 13.21 H new ATOM 0 HB2 SER A 40 -4.969 8.551 65.966 1.00 51.14 H new ATOM 0 HB3 SER A 40 -4.641 8.086 64.309 1.00 51.14 H new ATOM 0 HG SER A 40 -6.700 9.159 64.529 1.00 23.14 H new ATOM 652 N GLN A 41 -4.543 5.283 63.568 1.00 64.11 N ATOM 653 CA GLN A 41 -4.677 4.447 62.370 1.00 21.21 C ATOM 654 C GLN A 41 -4.469 2.972 62.639 1.00 63.34 C ATOM 655 O GLN A 41 -4.299 2.195 61.702 1.00 64.12 O ATOM 656 CB GLN A 41 -3.751 4.913 61.250 1.00 4.21 C ATOM 657 CG GLN A 41 -4.169 6.314 60.816 1.00 53.11 C ATOM 658 CD GLN A 41 -3.251 6.822 59.717 1.00 73.40 C ATOM 659 OE1 GLN A 41 -2.108 6.381 59.600 1.00 23.22 O ATOM 660 NE2 GLN A 41 -3.720 7.678 58.855 1.00 31.31 N ATOM 0 H GLN A 41 -3.601 5.646 63.712 1.00 64.11 H new ATOM 0 HA GLN A 41 -5.711 4.570 62.048 1.00 21.21 H new ATOM 0 HB2 GLN A 41 -2.716 4.917 61.593 1.00 4.21 H new ATOM 0 HB3 GLN A 41 -3.804 4.225 60.406 1.00 4.21 H new ATOM 0 HG2 GLN A 41 -5.199 6.300 60.461 1.00 53.11 H new ATOM 0 HG3 GLN A 41 -4.135 6.991 61.669 1.00 53.11 H new ATOM 0 HE21 GLN A 41 -4.668 8.039 58.959 1.00 31.31 H new ATOM 0 HE22 GLN A 41 -3.139 7.988 58.076 1.00 31.31 H new ATOM 669 N SER A 42 -4.442 2.576 63.896 1.00 22.41 N ATOM 670 CA SER A 42 -4.201 1.178 64.191 1.00 32.10 C ATOM 671 C SER A 42 -5.245 0.319 63.510 1.00 23.14 C ATOM 672 O SER A 42 -4.956 -0.811 63.115 1.00 21.14 O ATOM 673 CB SER A 42 -4.296 0.954 65.695 1.00 2.01 C ATOM 674 OG SER A 42 -5.642 1.156 66.103 1.00 23.11 O ATOM 0 H SER A 42 -4.579 3.180 64.706 1.00 22.41 H new ATOM 0 HA SER A 42 -3.209 0.907 63.830 1.00 32.10 H new ATOM 0 HB2 SER A 42 -3.972 -0.056 65.948 1.00 2.01 H new ATOM 0 HB3 SER A 42 -3.635 1.642 66.222 1.00 2.01 H new ATOM 0 HG SER A 42 -5.750 2.073 66.433 1.00 23.11 H new ATOM 680 N ALA A 43 -6.448 0.846 63.332 1.00 65.21 N ATOM 681 CA ALA A 43 -7.460 0.069 62.647 1.00 63.33 C ATOM 682 C ALA A 43 -7.033 -0.184 61.205 1.00 54.34 C ATOM 683 O ALA A 43 -7.184 -1.291 60.681 1.00 22.33 O ATOM 684 CB ALA A 43 -8.777 0.843 62.643 1.00 1.04 C ATOM 0 H ALA A 43 -6.737 1.774 63.641 1.00 65.21 H new ATOM 0 HA ALA A 43 -7.587 -0.883 63.163 1.00 63.33 H new ATOM 0 HB1 ALA A 43 -9.540 0.260 62.128 1.00 1.04 H new ATOM 0 HB2 ALA A 43 -9.093 1.028 63.670 1.00 1.04 H new ATOM 0 HB3 ALA A 43 -8.639 1.794 62.129 1.00 1.04 H new ATOM 690 N ASN A 44 -6.481 0.852 60.567 1.00 0.42 N ATOM 691 CA ASN A 44 -6.023 0.714 59.192 1.00 64.12 C ATOM 692 C ASN A 44 -4.939 -0.353 59.078 1.00 64.33 C ATOM 693 O ASN A 44 -4.904 -1.121 58.117 1.00 73.11 O ATOM 694 CB ASN A 44 -5.454 2.049 58.710 1.00 33.42 C ATOM 695 CG ASN A 44 -6.524 3.140 58.746 1.00 41.31 C ATOM 696 OD1 ASN A 44 -7.683 2.891 58.411 1.00 74.23 O ATOM 697 ND2 ASN A 44 -6.199 4.337 59.162 1.00 54.12 N ATOM 0 H ASN A 44 -6.344 1.777 60.975 1.00 0.42 H new ATOM 0 HA ASN A 44 -6.873 0.417 58.578 1.00 64.12 H new ATOM 0 HB2 ASN A 44 -4.612 2.339 59.338 1.00 33.42 H new ATOM 0 HB3 ASN A 44 -5.072 1.941 57.695 1.00 33.42 H new ATOM 0 HD21 ASN A 44 -6.907 5.070 59.210 1.00 54.12 H new ATOM 0 HD22 ASN A 44 -5.238 4.537 59.438 1.00 54.12 H new ATOM 704 N LEU A 45 -4.058 -0.388 60.079 1.00 41.32 N ATOM 705 CA LEU A 45 -2.970 -1.360 60.098 1.00 63.54 C ATOM 706 C LEU A 45 -3.506 -2.776 60.183 1.00 61.15 C ATOM 707 O LEU A 45 -2.935 -3.709 59.618 1.00 54.24 O ATOM 708 CB LEU A 45 -2.053 -1.103 61.302 1.00 51.25 C ATOM 709 CG LEU A 45 -1.483 0.325 61.265 1.00 25.51 C ATOM 710 CD1 LEU A 45 -0.489 0.492 62.419 1.00 1.03 C ATOM 711 CD2 LEU A 45 -0.763 0.586 59.929 1.00 11.44 C ATOM 0 H LEU A 45 -4.078 0.242 60.881 1.00 41.32 H new ATOM 0 HA LEU A 45 -2.408 -1.248 59.171 1.00 63.54 H new ATOM 0 HB2 LEU A 45 -2.610 -1.252 62.227 1.00 51.25 H new ATOM 0 HB3 LEU A 45 -1.236 -1.825 61.302 1.00 51.25 H new ATOM 0 HG LEU A 45 -2.301 1.038 61.364 1.00 25.51 H new ATOM 0 HD11 LEU A 45 -0.078 1.502 62.402 1.00 1.03 H new ATOM 0 HD12 LEU A 45 -1.000 0.324 63.367 1.00 1.03 H new ATOM 0 HD13 LEU A 45 0.320 -0.230 62.310 1.00 1.03 H new ATOM 0 HD21 LEU A 45 -0.367 1.601 59.922 1.00 11.44 H new ATOM 0 HD22 LEU A 45 0.056 -0.124 59.812 1.00 11.44 H new ATOM 0 HD23 LEU A 45 -1.468 0.466 59.106 1.00 11.44 H new ATOM 723 N LEU A 46 -4.587 -2.929 60.933 1.00 71.41 N ATOM 724 CA LEU A 46 -5.174 -4.237 61.136 1.00 61.10 C ATOM 725 C LEU A 46 -5.586 -4.891 59.827 1.00 31.50 C ATOM 726 O LEU A 46 -5.417 -6.099 59.658 1.00 54.02 O ATOM 727 CB LEU A 46 -6.391 -4.077 62.056 1.00 60.53 C ATOM 728 CG LEU A 46 -7.012 -5.446 62.390 1.00 44.45 C ATOM 729 CD1 LEU A 46 -6.065 -6.255 63.290 1.00 64.30 C ATOM 730 CD2 LEU A 46 -8.346 -5.219 63.120 1.00 0.20 C ATOM 0 H LEU A 46 -5.070 -2.166 61.407 1.00 71.41 H new ATOM 0 HA LEU A 46 -4.429 -4.890 61.590 1.00 61.10 H new ATOM 0 HB2 LEU A 46 -6.093 -3.574 62.976 1.00 60.53 H new ATOM 0 HB3 LEU A 46 -7.135 -3.444 61.574 1.00 60.53 H new ATOM 0 HG LEU A 46 -7.178 -6.003 61.468 1.00 44.45 H new ATOM 0 HD11 LEU A 46 -6.516 -7.220 63.518 1.00 64.30 H new ATOM 0 HD12 LEU A 46 -5.117 -6.410 62.774 1.00 64.30 H new ATOM 0 HD13 LEU A 46 -5.889 -5.709 64.217 1.00 64.30 H new ATOM 0 HD21 LEU A 46 -8.796 -6.181 63.362 1.00 0.20 H new ATOM 0 HD22 LEU A 46 -8.168 -4.660 64.039 1.00 0.20 H new ATOM 0 HD23 LEU A 46 -9.021 -4.654 62.477 1.00 0.20 H new ATOM 742 N ALA A 47 -6.138 -4.114 58.905 1.00 34.35 N ATOM 743 CA ALA A 47 -6.563 -4.699 57.642 1.00 53.05 C ATOM 744 C ALA A 47 -5.392 -5.220 56.807 1.00 12.35 C ATOM 745 O ALA A 47 -5.484 -6.290 56.207 1.00 23.24 O ATOM 746 CB ALA A 47 -7.333 -3.656 56.832 1.00 33.42 C ATOM 0 H ALA A 47 -6.298 -3.111 59.001 1.00 34.35 H new ATOM 0 HA ALA A 47 -7.198 -5.552 57.880 1.00 53.05 H new ATOM 0 HB1 ALA A 47 -7.652 -4.093 55.886 1.00 33.42 H new ATOM 0 HB2 ALA A 47 -8.208 -3.332 57.395 1.00 33.42 H new ATOM 0 HB3 ALA A 47 -6.689 -2.799 56.637 1.00 33.42 H new ATOM 752 N GLU A 48 -4.301 -4.454 56.751 1.00 4.11 N ATOM 753 CA GLU A 48 -3.144 -4.861 55.961 1.00 71.31 C ATOM 754 C GLU A 48 -2.462 -6.110 56.507 1.00 53.14 C ATOM 755 O GLU A 48 -1.948 -6.928 55.744 1.00 1.34 O ATOM 756 CB GLU A 48 -2.121 -3.714 55.928 1.00 1.10 C ATOM 757 CG GLU A 48 -2.677 -2.493 55.171 1.00 43.35 C ATOM 758 CD GLU A 48 -3.130 -2.870 53.762 1.00 0.13 C ATOM 759 OE1 GLU A 48 -2.353 -3.493 53.058 1.00 1.25 O ATOM 760 OE2 GLU A 48 -4.247 -2.528 53.409 1.00 22.11 O ATOM 0 H GLU A 48 -4.197 -3.563 57.236 1.00 4.11 H new ATOM 0 HA GLU A 48 -3.508 -5.095 54.961 1.00 71.31 H new ATOM 0 HB2 GLU A 48 -1.861 -3.426 56.947 1.00 1.10 H new ATOM 0 HB3 GLU A 48 -1.203 -4.055 55.449 1.00 1.10 H new ATOM 0 HG2 GLU A 48 -3.516 -2.071 55.724 1.00 43.35 H new ATOM 0 HG3 GLU A 48 -1.912 -1.719 55.114 1.00 43.35 H new ATOM 767 N ALA A 49 -2.416 -6.233 57.830 1.00 33.23 N ATOM 768 CA ALA A 49 -1.736 -7.369 58.437 1.00 2.00 C ATOM 769 C ALA A 49 -2.400 -8.703 58.139 1.00 71.01 C ATOM 770 O ALA A 49 -1.718 -9.701 57.908 1.00 35.52 O ATOM 771 CB ALA A 49 -1.666 -7.170 59.952 1.00 23.43 C ATOM 0 H ALA A 49 -2.832 -5.575 58.489 1.00 33.23 H new ATOM 0 HA ALA A 49 -0.739 -7.406 57.998 1.00 2.00 H new ATOM 0 HB1 ALA A 49 -1.157 -8.020 60.407 1.00 23.43 H new ATOM 0 HB2 ALA A 49 -1.115 -6.256 60.174 1.00 23.43 H new ATOM 0 HB3 ALA A 49 -2.675 -7.093 60.356 1.00 23.43 H new ATOM 777 N LYS A 50 -3.727 -8.737 58.172 1.00 4.25 N ATOM 778 CA LYS A 50 -4.420 -9.991 57.927 1.00 23.31 C ATOM 779 C LYS A 50 -4.119 -10.552 56.541 1.00 72.12 C ATOM 780 O LYS A 50 -3.920 -11.756 56.382 1.00 75.31 O ATOM 781 CB LYS A 50 -5.928 -9.777 58.085 1.00 25.20 C ATOM 782 CG LYS A 50 -6.665 -11.117 57.979 1.00 15.54 C ATOM 783 CD LYS A 50 -8.172 -10.878 58.081 1.00 73.13 C ATOM 784 CE LYS A 50 -8.899 -12.222 58.140 1.00 33.33 C ATOM 785 NZ LYS A 50 -8.539 -12.925 59.403 1.00 30.21 N ATOM 0 H LYS A 50 -4.328 -7.935 58.360 1.00 4.25 H new ATOM 0 HA LYS A 50 -4.064 -10.718 58.657 1.00 23.31 H new ATOM 0 HB2 LYS A 50 -6.138 -9.313 59.049 1.00 25.20 H new ATOM 0 HB3 LYS A 50 -6.288 -9.093 57.317 1.00 25.20 H new ATOM 0 HG2 LYS A 50 -6.426 -11.602 57.033 1.00 15.54 H new ATOM 0 HG3 LYS A 50 -6.338 -11.788 58.773 1.00 15.54 H new ATOM 0 HD2 LYS A 50 -8.398 -10.291 58.971 1.00 73.13 H new ATOM 0 HD3 LYS A 50 -8.519 -10.302 57.223 1.00 73.13 H new ATOM 0 HE2 LYS A 50 -9.977 -12.067 58.092 1.00 33.33 H new ATOM 0 HE3 LYS A 50 -8.626 -12.834 57.280 1.00 33.33 H new ATOM 0 HZ1 LYS A 50 -9.282 -13.612 59.642 1.00 30.21 H new ATOM 0 HZ2 LYS A 50 -7.635 -13.423 59.278 1.00 30.21 H new ATOM 0 HZ3 LYS A 50 -8.449 -12.231 60.173 1.00 30.21 H new ATOM 799 N LYS A 51 -4.109 -9.681 55.535 1.00 23.43 N ATOM 800 CA LYS A 51 -3.855 -10.132 54.171 1.00 54.50 C ATOM 801 C LYS A 51 -2.483 -10.773 53.993 1.00 75.32 C ATOM 802 O LYS A 51 -2.345 -11.756 53.265 1.00 61.01 O ATOM 803 CB LYS A 51 -3.983 -8.950 53.209 1.00 24.15 C ATOM 804 CG LYS A 51 -5.428 -8.445 53.210 1.00 5.50 C ATOM 805 CD LYS A 51 -5.562 -7.248 52.257 1.00 53.11 C ATOM 806 CE LYS A 51 -5.387 -7.699 50.798 1.00 31.35 C ATOM 807 NZ LYS A 51 -6.050 -6.716 49.897 1.00 54.42 N ATOM 0 H LYS A 51 -4.270 -8.679 55.635 1.00 23.43 H new ATOM 0 HA LYS A 51 -4.599 -10.898 53.952 1.00 54.50 H new ATOM 0 HB2 LYS A 51 -3.307 -8.149 53.508 1.00 24.15 H new ATOM 0 HB3 LYS A 51 -3.693 -9.253 52.203 1.00 24.15 H new ATOM 0 HG2 LYS A 51 -6.102 -9.244 52.902 1.00 5.50 H new ATOM 0 HG3 LYS A 51 -5.720 -8.153 54.219 1.00 5.50 H new ATOM 0 HD2 LYS A 51 -6.539 -6.781 52.385 1.00 53.11 H new ATOM 0 HD3 LYS A 51 -4.814 -6.494 52.503 1.00 53.11 H new ATOM 0 HE2 LYS A 51 -4.328 -7.777 50.554 1.00 31.35 H new ATOM 0 HE3 LYS A 51 -5.820 -8.689 50.657 1.00 31.35 H new ATOM 0 HZ1 LYS A 51 -5.934 -7.018 48.909 1.00 54.42 H new ATOM 0 HZ2 LYS A 51 -7.063 -6.663 50.126 1.00 54.42 H new ATOM 0 HZ3 LYS A 51 -5.617 -5.779 50.026 1.00 54.42 H new ATOM 821 N LEU A 52 -1.461 -10.203 54.631 1.00 14.24 N ATOM 822 CA LEU A 52 -0.115 -10.743 54.481 1.00 55.12 C ATOM 823 C LEU A 52 -0.015 -12.173 54.995 1.00 73.34 C ATOM 824 O LEU A 52 0.682 -13.004 54.410 1.00 73.02 O ATOM 825 CB LEU A 52 0.897 -9.856 55.224 1.00 71.21 C ATOM 826 CG LEU A 52 2.341 -10.343 54.973 1.00 72.12 C ATOM 827 CD1 LEU A 52 2.783 -10.008 53.538 1.00 53.43 C ATOM 828 CD2 LEU A 52 3.278 -9.654 55.967 1.00 45.20 C ATOM 0 H LEU A 52 -1.537 -9.389 55.241 1.00 14.24 H new ATOM 0 HA LEU A 52 0.115 -10.753 53.416 1.00 55.12 H new ATOM 0 HB2 LEU A 52 0.794 -8.823 54.892 1.00 71.21 H new ATOM 0 HB3 LEU A 52 0.684 -9.870 56.293 1.00 71.21 H new ATOM 0 HG LEU A 52 2.380 -11.424 55.106 1.00 72.12 H new ATOM 0 HD11 LEU A 52 3.803 -10.359 53.380 1.00 53.43 H new ATOM 0 HD12 LEU A 52 2.117 -10.498 52.828 1.00 53.43 H new ATOM 0 HD13 LEU A 52 2.743 -8.929 53.387 1.00 53.43 H new ATOM 0 HD21 LEU A 52 4.300 -9.992 55.797 1.00 45.20 H new ATOM 0 HD22 LEU A 52 3.225 -8.574 55.829 1.00 45.20 H new ATOM 0 HD23 LEU A 52 2.977 -9.905 56.984 1.00 45.20 H new ATOM 840 N ASN A 53 -0.682 -12.450 56.111 1.00 30.55 N ATOM 841 CA ASN A 53 -0.604 -13.780 56.688 1.00 12.22 C ATOM 842 C ASN A 53 -1.077 -14.817 55.681 1.00 20.35 C ATOM 843 O ASN A 53 -0.499 -15.898 55.558 1.00 22.15 O ATOM 844 CB ASN A 53 -1.471 -13.842 57.948 1.00 4.55 C ATOM 845 CG ASN A 53 -1.139 -15.092 58.755 1.00 21.40 C ATOM 846 OD1 ASN A 53 -0.032 -15.217 59.264 1.00 11.02 O ATOM 847 ND2 ASN A 53 -2.025 -16.027 58.912 1.00 12.51 N ATOM 0 H ASN A 53 -1.267 -11.788 56.620 1.00 30.55 H new ATOM 0 HA ASN A 53 0.432 -13.995 56.951 1.00 12.22 H new ATOM 0 HB2 ASN A 53 -1.305 -12.953 58.556 1.00 4.55 H new ATOM 0 HB3 ASN A 53 -2.526 -13.848 57.673 1.00 4.55 H new ATOM 0 HD21 ASN A 53 -1.797 -16.859 59.456 1.00 12.51 H new ATOM 0 HD22 ASN A 53 -2.949 -15.930 58.491 1.00 12.51 H new ATOM 854 N ASP A 54 -2.134 -14.465 54.960 1.00 50.01 N ATOM 855 CA ASP A 54 -2.697 -15.348 53.952 1.00 62.34 C ATOM 856 C ASP A 54 -1.707 -15.694 52.842 1.00 11.11 C ATOM 857 O ASP A 54 -1.713 -16.814 52.330 1.00 73.25 O ATOM 858 CB ASP A 54 -3.936 -14.697 53.336 1.00 11.40 C ATOM 859 CG ASP A 54 -4.664 -15.698 52.445 1.00 5.23 C ATOM 860 OD1 ASP A 54 -4.254 -16.846 52.418 1.00 12.01 O ATOM 861 OD2 ASP A 54 -5.622 -15.299 51.801 1.00 44.54 O ATOM 0 H ASP A 54 -2.618 -13.572 55.056 1.00 50.01 H new ATOM 0 HA ASP A 54 -2.957 -16.279 54.456 1.00 62.34 H new ATOM 0 HB2 ASP A 54 -4.603 -14.347 54.124 1.00 11.40 H new ATOM 0 HB3 ASP A 54 -3.646 -13.823 52.753 1.00 11.40 H new ATOM 866 N ALA A 55 -0.900 -14.716 52.423 1.00 63.33 N ATOM 867 CA ALA A 55 0.022 -14.958 51.317 1.00 75.40 C ATOM 868 C ALA A 55 1.083 -16.007 51.631 1.00 54.24 C ATOM 869 O ALA A 55 1.356 -16.871 50.797 1.00 42.04 O ATOM 870 CB ALA A 55 0.710 -13.650 50.931 1.00 14.55 C ATOM 0 H ALA A 55 -0.867 -13.777 52.820 1.00 63.33 H new ATOM 0 HA ALA A 55 -0.576 -15.346 50.492 1.00 75.40 H new ATOM 0 HB1 ALA A 55 1.398 -13.831 50.105 1.00 14.55 H new ATOM 0 HB2 ALA A 55 -0.040 -12.921 50.625 1.00 14.55 H new ATOM 0 HB3 ALA A 55 1.264 -13.264 51.787 1.00 14.55 H new ATOM 876 N GLN A 56 1.675 -15.961 52.821 1.00 13.12 N ATOM 877 CA GLN A 56 2.678 -16.967 53.150 1.00 70.45 C ATOM 878 C GLN A 56 2.041 -18.349 53.115 1.00 74.21 C ATOM 879 O GLN A 56 2.658 -19.332 52.704 1.00 61.33 O ATOM 880 CB GLN A 56 3.311 -16.724 54.520 1.00 75.40 C ATOM 881 CG GLN A 56 4.503 -17.679 54.679 1.00 42.42 C ATOM 882 CD GLN A 56 5.086 -17.573 56.077 1.00 1.22 C ATOM 883 OE1 GLN A 56 4.442 -17.969 57.039 1.00 75.44 O ATOM 884 NE2 GLN A 56 6.274 -17.061 56.245 1.00 25.51 N ATOM 0 H GLN A 56 1.489 -15.269 53.546 1.00 13.12 H new ATOM 0 HA GLN A 56 3.472 -16.899 52.407 1.00 70.45 H new ATOM 0 HB2 GLN A 56 3.640 -15.689 54.607 1.00 75.40 H new ATOM 0 HB3 GLN A 56 2.581 -16.894 55.311 1.00 75.40 H new ATOM 0 HG2 GLN A 56 4.184 -18.704 54.488 1.00 42.42 H new ATOM 0 HG3 GLN A 56 5.268 -17.441 53.940 1.00 42.42 H new ATOM 0 HE21 GLN A 56 6.806 -16.733 55.439 1.00 25.51 H new ATOM 0 HE22 GLN A 56 6.671 -16.989 57.182 1.00 25.51 H new ATOM 893 N ALA A 57 0.792 -18.400 53.586 1.00 41.45 N ATOM 894 CA ALA A 57 0.021 -19.640 53.661 1.00 3.34 C ATOM 895 C ALA A 57 -1.326 -19.470 52.941 1.00 45.42 C ATOM 896 O ALA A 57 -2.356 -19.225 53.571 1.00 70.24 O ATOM 897 CB ALA A 57 -0.191 -20.030 55.142 1.00 15.43 C ATOM 0 H ALA A 57 0.288 -17.581 53.926 1.00 41.45 H new ATOM 0 HA ALA A 57 0.571 -20.440 53.165 1.00 3.34 H new ATOM 0 HB1 ALA A 57 -0.766 -20.954 55.196 1.00 15.43 H new ATOM 0 HB2 ALA A 57 0.777 -20.176 55.622 1.00 15.43 H new ATOM 0 HB3 ALA A 57 -0.734 -19.235 55.654 1.00 15.43 H new ATOM 903 N PRO A 58 -1.340 -19.578 51.644 1.00 72.22 N ATOM 904 CA PRO A 58 -2.589 -19.416 50.846 1.00 5.45 C ATOM 905 C PRO A 58 -3.694 -20.351 51.339 1.00 32.31 C ATOM 906 O PRO A 58 -4.869 -20.137 51.041 1.00 74.14 O ATOM 907 CB PRO A 58 -2.155 -19.759 49.409 1.00 52.14 C ATOM 908 CG PRO A 58 -0.679 -19.513 49.384 1.00 51.21 C ATOM 909 CD PRO A 58 -0.177 -19.857 50.786 1.00 1.22 C ATOM 0 HA PRO A 58 -3.011 -18.414 50.926 1.00 5.45 H new ATOM 0 HB2 PRO A 58 -2.387 -20.795 49.163 1.00 52.14 H new ATOM 0 HB3 PRO A 58 -2.672 -19.135 48.680 1.00 52.14 H new ATOM 0 HG2 PRO A 58 -0.192 -20.133 48.631 1.00 51.21 H new ATOM 0 HG3 PRO A 58 -0.460 -18.475 49.134 1.00 51.21 H new ATOM 0 HD2 PRO A 58 0.133 -20.899 50.857 1.00 1.22 H new ATOM 0 HD3 PRO A 58 0.683 -19.249 51.065 1.00 1.22 H new ATOM 917 N LYS A 59 -3.293 -21.389 52.087 1.00 51.24 N ATOM 918 CA LYS A 59 -4.230 -22.383 52.636 1.00 3.44 C ATOM 919 C LYS A 59 -5.635 -21.809 52.823 1.00 22.42 C ATOM 920 O LYS A 59 -5.738 -20.687 53.290 1.00 61.53 O ATOM 921 CB LYS A 59 -3.718 -22.877 53.990 1.00 35.24 C ATOM 922 CG LYS A 59 -2.384 -23.603 53.807 1.00 25.14 C ATOM 923 CD LYS A 59 -1.940 -24.193 55.148 1.00 31.13 C ATOM 924 CE LYS A 59 -0.549 -24.811 55.000 1.00 53.14 C ATOM 925 NZ LYS A 59 -0.112 -25.372 56.310 1.00 14.35 N ATOM 926 OXT LYS A 59 -6.585 -22.502 52.497 1.00 61.53 O ATOM 0 H LYS A 59 -2.317 -21.564 52.328 1.00 51.24 H new ATOM 0 HA LYS A 59 -4.289 -23.203 51.921 1.00 3.44 H new ATOM 0 HB2 LYS A 59 -3.594 -22.035 54.671 1.00 35.24 H new ATOM 0 HB3 LYS A 59 -4.448 -23.548 54.442 1.00 35.24 H new ATOM 0 HG2 LYS A 59 -2.487 -24.395 53.065 1.00 25.14 H new ATOM 0 HG3 LYS A 59 -1.629 -22.911 53.433 1.00 25.14 H new ATOM 0 HD2 LYS A 59 -1.924 -23.415 55.912 1.00 31.13 H new ATOM 0 HD3 LYS A 59 -2.652 -24.949 55.478 1.00 31.13 H new ATOM 0 HE2 LYS A 59 -0.567 -25.596 54.244 1.00 53.14 H new ATOM 0 HE3 LYS A 59 0.161 -24.057 54.660 1.00 53.14 H new ATOM 0 HZ1 LYS A 59 0.834 -25.792 56.209 1.00 14.35 H new ATOM 0 HZ2 LYS A 59 -0.080 -24.612 57.020 1.00 14.35 H new ATOM 0 HZ3 LYS A 59 -0.785 -26.103 56.616 1.00 14.35 H new TER 940 LYS A 59