USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 628 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 113 HIS : no HD1:sc=-0.00249 X(o=-0.0025,f=0) USER MOD Set 1.2: A 117 GLN : amide:sc= 0 K(o=-0.0025,f=-1.8) USER MOD Set 2.1: A 63 MET CE :methyl 160:sc= -0.0997 (180deg=-0.497) USER MOD Set 2.2: A 103 MET CE :methyl -127:sc= -1.19 (180deg=-1.98!) USER MOD Set 3.1: A 79 SER OG : rot 180:sc= -0.0179 USER MOD Set 3.2: A 81 SER OG : rot 180:sc= 0.064 USER MOD Single : A 59 MET CE :methyl -140:sc= 0 (180deg=-0.952) USER MOD Single : A 60 THR OG1 : rot 120:sc= -0.144 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0102 USER MOD Single : A 67 LYS NZ :NH3+ 144:sc= 1.17 (180deg=0.533) USER MOD Single : A 68 GLN : amide:sc= -0.63 X(o=-0.63,f=-0.51) USER MOD Single : A 70 SER OG : rot 112:sc= 1.25 USER MOD Single : A 71 LYS NZ :NH3+ -156:sc= -0.0759 (180deg=-0.536) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot -90:sc= 1.25 USER MOD Single : A 75 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0452) USER MOD Single : A 76 MET CE :methyl 165:sc= -0.0549 (180deg=-0.376) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN :FLIP amide:sc= 0 F(o=-0.93,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot -120:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0293 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -118:sc= 0.731 USER MOD Single : A 108 LYS NZ :NH3+ 138:sc= -0.366 (180deg=-1.22) USER MOD Single : A 109 THR OG1 : rot 156:sc= -0.227 USER MOD Single : A 111 SER OG : rot 108:sc= 1.39 USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 133 SER OG : rot -115:sc= 0.573 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 58 11.617 5.458 5.648 1.00 0.67 N ATOM 2 CA GLU A 58 12.031 5.119 4.268 1.00 0.44 C ATOM 3 C GLU A 58 10.920 4.357 3.555 1.00 0.28 C ATOM 4 O GLU A 58 10.757 3.161 3.785 1.00 0.22 O ATOM 5 CB GLU A 58 13.303 4.286 4.313 1.00 0.74 C ATOM 6 CG GLU A 58 13.730 3.783 2.961 1.00 0.46 C ATOM 7 CD GLU A 58 15.003 2.974 3.029 1.00 1.11 C ATOM 8 OE1 GLU A 58 14.934 1.773 3.362 1.00 1.82 O ATOM 9 OE2 GLU A 58 16.080 3.537 2.748 1.00 1.28 O ATOM 0 HA GLU A 58 12.224 6.037 3.714 1.00 0.44 H new ATOM 0 HB2 GLU A 58 14.107 4.885 4.741 1.00 0.74 H new ATOM 0 HB3 GLU A 58 13.150 3.436 4.978 1.00 0.74 H new ATOM 0 HG2 GLU A 58 12.935 3.171 2.535 1.00 0.46 H new ATOM 0 HG3 GLU A 58 13.875 4.629 2.290 1.00 0.46 H new ATOM 16 N MET A 59 10.129 5.047 2.706 1.00 0.25 N ATOM 17 CA MET A 59 8.971 4.398 2.067 1.00 0.17 C ATOM 18 C MET A 59 8.164 5.310 1.125 1.00 0.20 C ATOM 19 O MET A 59 7.852 6.442 1.459 1.00 0.29 O ATOM 20 CB MET A 59 8.040 3.847 3.155 1.00 0.16 C ATOM 21 CG MET A 59 7.887 4.776 4.366 1.00 0.25 C ATOM 22 SD MET A 59 6.800 4.095 5.638 1.00 0.75 S ATOM 23 CE MET A 59 6.794 5.422 6.839 1.00 0.59 C ATOM 0 H MET A 59 10.267 6.026 2.454 1.00 0.25 H new ATOM 0 HA MET A 59 9.378 3.604 1.441 1.00 0.17 H new ATOM 0 HB2 MET A 59 7.057 3.666 2.721 1.00 0.16 H new ATOM 0 HB3 MET A 59 8.422 2.884 3.493 1.00 0.16 H new ATOM 0 HG2 MET A 59 8.869 4.967 4.798 1.00 0.25 H new ATOM 0 HG3 MET A 59 7.493 5.736 4.034 1.00 0.25 H new ATOM 0 HE1 MET A 59 6.832 5.003 7.844 1.00 0.59 H new ATOM 0 HE2 MET A 59 7.662 6.061 6.679 1.00 0.59 H new ATOM 0 HE3 MET A 59 5.884 6.011 6.726 1.00 0.59 H new ATOM 33 N THR A 60 7.815 4.772 -0.048 1.00 0.19 N ATOM 34 CA THR A 60 6.978 5.462 -1.038 1.00 0.22 C ATOM 35 C THR A 60 5.494 5.287 -0.727 1.00 0.18 C ATOM 36 O THR A 60 5.012 4.175 -0.585 1.00 0.17 O ATOM 37 CB THR A 60 7.235 4.923 -2.465 1.00 0.29 C ATOM 38 OG1 THR A 60 8.581 5.185 -2.877 1.00 0.37 O ATOM 39 CG2 THR A 60 6.258 5.525 -3.470 1.00 0.34 C ATOM 0 H THR A 60 8.107 3.839 -0.340 1.00 0.19 H new ATOM 0 HA THR A 60 7.245 6.518 -0.988 1.00 0.22 H new ATOM 0 HB THR A 60 7.080 3.845 -2.437 1.00 0.29 H new ATOM 0 HG1 THR A 60 9.035 4.338 -3.068 1.00 0.37 H new ATOM 0 HG21 THR A 60 6.465 5.126 -4.463 1.00 0.34 H new ATOM 0 HG22 THR A 60 5.238 5.271 -3.183 1.00 0.34 H new ATOM 0 HG23 THR A 60 6.372 6.609 -3.484 1.00 0.34 H new ATOM 47 N ARG A 61 4.779 6.390 -0.669 1.00 0.20 N ATOM 48 CA ARG A 61 3.366 6.392 -0.320 1.00 0.18 C ATOM 49 C ARG A 61 2.487 6.247 -1.567 1.00 0.17 C ATOM 50 O ARG A 61 2.574 7.057 -2.490 1.00 0.18 O ATOM 51 CB ARG A 61 3.077 7.698 0.422 1.00 0.22 C ATOM 52 CG ARG A 61 1.706 7.812 1.061 1.00 0.33 C ATOM 53 CD ARG A 61 1.810 8.578 2.372 1.00 0.42 C ATOM 54 NE ARG A 61 0.514 8.869 2.985 1.00 0.84 N ATOM 55 CZ ARG A 61 0.245 8.677 4.279 1.00 1.13 C ATOM 56 NH1 ARG A 61 1.134 8.083 5.067 1.00 1.32 N ATOM 57 NH2 ARG A 61 -0.928 9.060 4.780 1.00 1.91 N ATOM 0 H ARG A 61 5.159 7.317 -0.863 1.00 0.20 H new ATOM 0 HA ARG A 61 3.132 5.540 0.319 1.00 0.18 H new ATOM 0 HB2 ARG A 61 3.830 7.825 1.200 1.00 0.22 H new ATOM 0 HB3 ARG A 61 3.199 8.525 -0.278 1.00 0.22 H new ATOM 0 HG2 ARG A 61 1.021 8.323 0.384 1.00 0.33 H new ATOM 0 HG3 ARG A 61 1.295 6.819 1.241 1.00 0.33 H new ATOM 0 HD2 ARG A 61 2.413 8.001 3.073 1.00 0.42 H new ATOM 0 HD3 ARG A 61 2.337 9.515 2.195 1.00 0.42 H new ATOM 0 HE ARG A 61 -0.227 9.240 2.390 1.00 0.84 H new ATOM 0 HH11 ARG A 61 2.027 7.771 4.685 1.00 1.32 H new ATOM 0 HH12 ARG A 61 0.924 7.939 6.055 1.00 1.32 H new ATOM 0 HH21 ARG A 61 -1.622 9.500 4.175 1.00 1.91 H new ATOM 0 HH22 ARG A 61 -1.133 8.913 5.768 1.00 1.91 H new ATOM 71 N LEU A 62 1.681 5.187 -1.596 1.00 0.16 N ATOM 72 CA LEU A 62 0.720 4.948 -2.675 1.00 0.15 C ATOM 73 C LEU A 62 -0.695 4.952 -2.123 1.00 0.12 C ATOM 74 O LEU A 62 -1.043 4.111 -1.293 1.00 0.20 O ATOM 75 CB LEU A 62 0.972 3.605 -3.400 1.00 0.23 C ATOM 76 CG LEU A 62 1.981 2.669 -2.750 1.00 0.20 C ATOM 77 CD1 LEU A 62 1.747 1.257 -3.236 1.00 0.28 C ATOM 78 CD2 LEU A 62 3.407 3.098 -3.069 1.00 0.32 C ATOM 0 H LEU A 62 1.675 4.468 -0.872 1.00 0.16 H new ATOM 0 HA LEU A 62 0.849 5.753 -3.399 1.00 0.15 H new ATOM 0 HB2 LEU A 62 0.022 3.078 -3.485 1.00 0.23 H new ATOM 0 HB3 LEU A 62 1.309 3.821 -4.414 1.00 0.23 H new ATOM 0 HG LEU A 62 1.847 2.711 -1.669 1.00 0.20 H new ATOM 0 HD11 LEU A 62 2.470 0.587 -2.770 1.00 0.28 H new ATOM 0 HD12 LEU A 62 0.738 0.943 -2.970 1.00 0.28 H new ATOM 0 HD13 LEU A 62 1.864 1.221 -4.319 1.00 0.28 H new ATOM 0 HD21 LEU A 62 4.108 2.413 -2.593 1.00 0.32 H new ATOM 0 HD22 LEU A 62 3.559 3.081 -4.148 1.00 0.32 H new ATOM 0 HD23 LEU A 62 3.576 4.108 -2.695 1.00 0.32 H new ATOM 90 N MET A 63 -1.498 5.904 -2.570 1.00 0.10 N ATOM 91 CA MET A 63 -2.886 5.979 -2.149 1.00 0.13 C ATOM 92 C MET A 63 -3.704 4.879 -2.809 1.00 0.18 C ATOM 93 O MET A 63 -3.612 4.653 -4.019 1.00 0.39 O ATOM 94 CB MET A 63 -3.495 7.348 -2.467 1.00 0.18 C ATOM 95 CG MET A 63 -3.683 7.619 -3.953 1.00 0.29 C ATOM 96 SD MET A 63 -4.500 9.197 -4.285 1.00 1.09 S ATOM 97 CE MET A 63 -3.308 10.344 -3.597 1.00 1.80 C ATOM 0 H MET A 63 -1.213 6.634 -3.223 1.00 0.10 H new ATOM 0 HA MET A 63 -2.910 5.841 -1.068 1.00 0.13 H new ATOM 0 HB2 MET A 63 -4.462 7.427 -1.970 1.00 0.18 H new ATOM 0 HB3 MET A 63 -2.856 8.124 -2.046 1.00 0.18 H new ATOM 0 HG2 MET A 63 -2.710 7.609 -4.444 1.00 0.29 H new ATOM 0 HG3 MET A 63 -4.270 6.813 -4.392 1.00 0.29 H new ATOM 0 HE1 MET A 63 -3.471 11.335 -4.020 1.00 1.80 H new ATOM 0 HE2 MET A 63 -3.428 10.387 -2.514 1.00 1.80 H new ATOM 0 HE3 MET A 63 -2.299 10.008 -3.837 1.00 1.80 H new ATOM 107 N VAL A 64 -4.472 4.184 -1.999 1.00 0.11 N ATOM 108 CA VAL A 64 -5.373 3.154 -2.473 1.00 0.11 C ATOM 109 C VAL A 64 -6.798 3.524 -2.097 1.00 0.16 C ATOM 110 O VAL A 64 -7.097 3.694 -0.930 1.00 0.42 O ATOM 111 CB VAL A 64 -5.026 1.788 -1.845 1.00 0.14 C ATOM 112 CG1 VAL A 64 -6.032 0.736 -2.260 1.00 0.17 C ATOM 113 CG2 VAL A 64 -3.613 1.359 -2.220 1.00 0.18 C ATOM 0 H VAL A 64 -4.490 4.317 -0.988 1.00 0.11 H new ATOM 0 HA VAL A 64 -5.273 3.077 -3.556 1.00 0.11 H new ATOM 0 HB VAL A 64 -5.070 1.895 -0.761 1.00 0.14 H new ATOM 0 HG11 VAL A 64 -5.768 -0.219 -1.806 1.00 0.17 H new ATOM 0 HG12 VAL A 64 -7.027 1.033 -1.928 1.00 0.17 H new ATOM 0 HG13 VAL A 64 -6.027 0.635 -3.345 1.00 0.17 H new ATOM 0 HG21 VAL A 64 -3.393 0.393 -1.765 1.00 0.18 H new ATOM 0 HG22 VAL A 64 -3.534 1.276 -3.304 1.00 0.18 H new ATOM 0 HG23 VAL A 64 -2.900 2.101 -1.860 1.00 0.18 H new ATOM 123 N THR A 65 -7.674 3.683 -3.068 1.00 0.19 N ATOM 124 CA THR A 65 -9.051 4.015 -2.754 1.00 0.19 C ATOM 125 C THR A 65 -9.946 2.786 -2.771 1.00 0.20 C ATOM 126 O THR A 65 -9.943 2.015 -3.731 1.00 0.24 O ATOM 127 CB THR A 65 -9.616 5.076 -3.706 1.00 0.22 C ATOM 128 OG1 THR A 65 -9.069 4.909 -5.022 1.00 0.29 O ATOM 129 CG2 THR A 65 -9.321 6.473 -3.189 1.00 0.25 C ATOM 0 H THR A 65 -7.465 3.590 -4.062 1.00 0.19 H new ATOM 0 HA THR A 65 -9.041 4.426 -1.744 1.00 0.19 H new ATOM 0 HB THR A 65 -10.697 4.948 -3.757 1.00 0.22 H new ATOM 0 HG1 THR A 65 -9.440 5.592 -5.619 1.00 0.29 H new ATOM 0 HG21 THR A 65 -9.730 7.210 -3.879 1.00 0.25 H new ATOM 0 HG22 THR A 65 -9.778 6.602 -2.208 1.00 0.25 H new ATOM 0 HG23 THR A 65 -8.243 6.611 -3.108 1.00 0.25 H new ATOM 137 N GLU A 66 -10.695 2.609 -1.693 1.00 0.20 N ATOM 138 CA GLU A 66 -11.668 1.539 -1.590 1.00 0.22 C ATOM 139 C GLU A 66 -13.067 2.057 -1.910 1.00 0.24 C ATOM 140 O GLU A 66 -13.508 3.069 -1.359 1.00 0.31 O ATOM 141 CB GLU A 66 -11.670 0.893 -0.203 1.00 0.25 C ATOM 142 CG GLU A 66 -10.362 0.234 0.187 1.00 0.35 C ATOM 143 CD GLU A 66 -9.487 1.135 1.020 1.00 0.54 C ATOM 144 OE1 GLU A 66 -9.904 1.522 2.126 1.00 0.79 O ATOM 145 OE2 GLU A 66 -8.381 1.476 0.553 1.00 0.92 O ATOM 0 H GLU A 66 -10.643 3.205 -0.867 1.00 0.20 H new ATOM 0 HA GLU A 66 -11.381 0.778 -2.316 1.00 0.22 H new ATOM 0 HB2 GLU A 66 -11.913 1.655 0.538 1.00 0.25 H new ATOM 0 HB3 GLU A 66 -12.463 0.147 -0.165 1.00 0.25 H new ATOM 0 HG2 GLU A 66 -10.571 -0.680 0.744 1.00 0.35 H new ATOM 0 HG3 GLU A 66 -9.823 -0.058 -0.714 1.00 0.35 H new ATOM 152 N LYS A 67 -13.746 1.368 -2.817 1.00 0.23 N ATOM 153 CA LYS A 67 -15.128 1.679 -3.179 1.00 0.26 C ATOM 154 C LYS A 67 -15.731 0.480 -3.899 1.00 0.26 C ATOM 155 O LYS A 67 -15.177 -0.603 -3.812 1.00 0.27 O ATOM 156 CB LYS A 67 -15.226 2.949 -4.043 1.00 0.32 C ATOM 157 CG LYS A 67 -14.390 2.928 -5.318 1.00 0.36 C ATOM 158 CD LYS A 67 -12.932 3.273 -5.054 1.00 0.34 C ATOM 159 CE LYS A 67 -12.147 3.464 -6.345 1.00 0.53 C ATOM 160 NZ LYS A 67 -12.709 4.566 -7.176 1.00 0.93 N ATOM 0 H LYS A 67 -13.355 0.575 -3.326 1.00 0.23 H new ATOM 0 HA LYS A 67 -15.691 1.882 -2.268 1.00 0.26 H new ATOM 0 HB2 LYS A 67 -16.270 3.106 -4.314 1.00 0.32 H new ATOM 0 HB3 LYS A 67 -14.921 3.804 -3.440 1.00 0.32 H new ATOM 0 HG2 LYS A 67 -14.451 1.940 -5.774 1.00 0.36 H new ATOM 0 HG3 LYS A 67 -14.805 3.636 -6.035 1.00 0.36 H new ATOM 0 HD2 LYS A 67 -12.877 4.184 -4.459 1.00 0.34 H new ATOM 0 HD3 LYS A 67 -12.473 2.479 -4.465 1.00 0.34 H new ATOM 0 HE2 LYS A 67 -11.106 3.682 -6.108 1.00 0.53 H new ATOM 0 HE3 LYS A 67 -12.157 2.536 -6.917 1.00 0.53 H new ATOM 0 HZ1 LYS A 67 -11.935 5.072 -7.651 1.00 0.93 H new ATOM 0 HZ2 LYS A 67 -13.352 4.169 -7.890 1.00 0.93 H new ATOM 0 HZ3 LYS A 67 -13.233 5.227 -6.568 1.00 0.93 H new ATOM 174 N GLN A 68 -16.848 0.652 -4.606 1.00 0.33 N ATOM 175 CA GLN A 68 -17.492 -0.478 -5.292 1.00 0.41 C ATOM 176 C GLN A 68 -16.486 -1.233 -6.163 1.00 0.42 C ATOM 177 O GLN A 68 -16.593 -2.443 -6.355 1.00 0.53 O ATOM 178 CB GLN A 68 -18.681 -0.010 -6.140 1.00 0.49 C ATOM 179 CG GLN A 68 -19.945 0.279 -5.339 1.00 1.52 C ATOM 180 CD GLN A 68 -19.813 1.469 -4.404 1.00 2.26 C ATOM 181 OE1 GLN A 68 -20.079 2.607 -4.787 1.00 2.79 O ATOM 182 NE2 GLN A 68 -19.410 1.213 -3.168 1.00 3.05 N ATOM 0 H GLN A 68 -17.323 1.547 -4.721 1.00 0.33 H new ATOM 0 HA GLN A 68 -17.866 -1.156 -4.525 1.00 0.41 H new ATOM 0 HB2 GLN A 68 -18.394 0.891 -6.682 1.00 0.49 H new ATOM 0 HB3 GLN A 68 -18.904 -0.773 -6.886 1.00 0.49 H new ATOM 0 HG2 GLN A 68 -20.769 0.459 -6.029 1.00 1.52 H new ATOM 0 HG3 GLN A 68 -20.205 -0.604 -4.755 1.00 1.52 H new ATOM 0 HE21 GLN A 68 -19.199 0.255 -2.889 1.00 3.05 H new ATOM 0 HE22 GLN A 68 -19.311 1.974 -2.496 1.00 3.05 H new ATOM 191 N GLU A 69 -15.506 -0.499 -6.670 1.00 0.36 N ATOM 192 CA GLU A 69 -14.391 -1.083 -7.403 1.00 0.40 C ATOM 193 C GLU A 69 -13.538 -1.981 -6.515 1.00 0.33 C ATOM 194 O GLU A 69 -13.388 -3.173 -6.770 1.00 0.39 O ATOM 195 CB GLU A 69 -13.478 0.008 -7.961 1.00 0.45 C ATOM 196 CG GLU A 69 -14.095 0.864 -9.063 1.00 1.10 C ATOM 197 CD GLU A 69 -15.039 1.928 -8.541 1.00 1.52 C ATOM 198 OE1 GLU A 69 -16.218 1.608 -8.285 1.00 1.63 O ATOM 199 OE2 GLU A 69 -14.601 3.084 -8.375 1.00 2.34 O ATOM 0 H GLU A 69 -15.461 0.516 -6.585 1.00 0.36 H new ATOM 0 HA GLU A 69 -14.829 -1.671 -8.209 1.00 0.40 H new ATOM 0 HB2 GLU A 69 -13.174 0.660 -7.142 1.00 0.45 H new ATOM 0 HB3 GLU A 69 -12.573 -0.460 -8.349 1.00 0.45 H new ATOM 0 HG2 GLU A 69 -13.297 1.343 -9.630 1.00 1.10 H new ATOM 0 HG3 GLU A 69 -14.635 0.218 -9.755 1.00 1.10 H new ATOM 206 N SER A 70 -12.993 -1.393 -5.463 1.00 0.27 N ATOM 207 CA SER A 70 -11.888 -1.995 -4.740 1.00 0.22 C ATOM 208 C SER A 70 -12.122 -2.103 -3.237 1.00 0.17 C ATOM 209 O SER A 70 -11.164 -2.191 -2.475 1.00 0.16 O ATOM 210 CB SER A 70 -10.647 -1.156 -5.003 1.00 0.26 C ATOM 211 OG SER A 70 -11.010 0.202 -5.183 1.00 0.59 O ATOM 0 H SER A 70 -13.301 -0.495 -5.090 1.00 0.27 H new ATOM 0 HA SER A 70 -11.775 -3.018 -5.099 1.00 0.22 H new ATOM 0 HB2 SER A 70 -9.952 -1.248 -4.168 1.00 0.26 H new ATOM 0 HB3 SER A 70 -10.130 -1.524 -5.890 1.00 0.26 H new ATOM 0 HG SER A 70 -10.680 0.732 -4.427 1.00 0.59 H new ATOM 217 N LYS A 71 -13.373 -2.103 -2.794 1.00 0.19 N ATOM 218 CA LYS A 71 -13.650 -2.276 -1.372 1.00 0.20 C ATOM 219 C LYS A 71 -13.153 -3.627 -0.873 1.00 0.19 C ATOM 220 O LYS A 71 -12.983 -3.826 0.328 1.00 0.22 O ATOM 221 CB LYS A 71 -15.136 -2.109 -1.048 1.00 0.32 C ATOM 222 CG LYS A 71 -15.519 -0.680 -0.695 1.00 0.59 C ATOM 223 CD LYS A 71 -14.920 -0.236 0.637 1.00 0.42 C ATOM 224 CE LYS A 71 -15.732 -0.730 1.823 1.00 1.12 C ATOM 225 NZ LYS A 71 -17.102 -0.154 1.832 1.00 1.70 N ATOM 0 H LYS A 71 -14.197 -1.988 -3.384 1.00 0.19 H new ATOM 0 HA LYS A 71 -13.106 -1.488 -0.851 1.00 0.20 H new ATOM 0 HB2 LYS A 71 -15.726 -2.435 -1.905 1.00 0.32 H new ATOM 0 HB3 LYS A 71 -15.395 -2.763 -0.215 1.00 0.32 H new ATOM 0 HG2 LYS A 71 -15.181 -0.009 -1.485 1.00 0.59 H new ATOM 0 HG3 LYS A 71 -16.605 -0.597 -0.649 1.00 0.59 H new ATOM 0 HD2 LYS A 71 -13.899 -0.609 0.717 1.00 0.42 H new ATOM 0 HD3 LYS A 71 -14.865 0.852 0.664 1.00 0.42 H new ATOM 0 HE2 LYS A 71 -15.795 -1.818 1.792 1.00 1.12 H new ATOM 0 HE3 LYS A 71 -15.221 -0.466 2.749 1.00 1.12 H new ATOM 0 HZ1 LYS A 71 -17.476 -0.164 2.802 1.00 1.70 H new ATOM 0 HZ2 LYS A 71 -17.069 0.825 1.484 1.00 1.70 H new ATOM 0 HZ3 LYS A 71 -17.720 -0.720 1.216 1.00 1.70 H new ATOM 239 N ASN A 72 -12.912 -4.545 -1.803 1.00 0.19 N ATOM 240 CA ASN A 72 -12.306 -5.834 -1.481 1.00 0.22 C ATOM 241 C ASN A 72 -10.936 -5.639 -0.836 1.00 0.20 C ATOM 242 O ASN A 72 -10.465 -6.483 -0.074 1.00 0.27 O ATOM 243 CB ASN A 72 -12.161 -6.695 -2.740 1.00 0.26 C ATOM 244 CG ASN A 72 -13.485 -7.256 -3.226 1.00 1.15 C ATOM 245 OD1 ASN A 72 -13.936 -8.302 -2.759 1.00 2.13 O ATOM 246 ND2 ASN A 72 -14.107 -6.587 -4.182 1.00 1.62 N ATOM 0 H ASN A 72 -13.128 -4.420 -2.792 1.00 0.19 H new ATOM 0 HA ASN A 72 -12.962 -6.344 -0.776 1.00 0.22 H new ATOM 0 HB2 ASN A 72 -11.712 -6.097 -3.533 1.00 0.26 H new ATOM 0 HB3 ASN A 72 -11.477 -7.518 -2.535 1.00 0.26 H new ATOM 0 HD21 ASN A 72 -14.990 -6.935 -4.556 1.00 1.62 H new ATOM 0 HD22 ASN A 72 -13.704 -5.723 -4.545 1.00 1.62 H new ATOM 253 N PHE A 73 -10.315 -4.507 -1.134 1.00 0.16 N ATOM 254 CA PHE A 73 -8.986 -4.205 -0.640 1.00 0.14 C ATOM 255 C PHE A 73 -8.996 -3.844 0.847 1.00 0.14 C ATOM 256 O PHE A 73 -8.017 -4.097 1.550 1.00 0.14 O ATOM 257 CB PHE A 73 -8.376 -3.060 -1.457 1.00 0.14 C ATOM 258 CG PHE A 73 -7.053 -2.596 -0.930 1.00 0.13 C ATOM 259 CD1 PHE A 73 -6.994 -1.614 0.043 1.00 0.17 C ATOM 260 CD2 PHE A 73 -5.872 -3.166 -1.375 1.00 0.14 C ATOM 261 CE1 PHE A 73 -5.784 -1.210 0.558 1.00 0.19 C ATOM 262 CE2 PHE A 73 -4.659 -2.757 -0.865 1.00 0.16 C ATOM 263 CZ PHE A 73 -4.617 -1.783 0.106 1.00 0.15 C ATOM 0 H PHE A 73 -10.718 -3.778 -1.722 1.00 0.16 H new ATOM 0 HA PHE A 73 -8.377 -5.102 -0.754 1.00 0.14 H new ATOM 0 HB2 PHE A 73 -8.254 -3.385 -2.490 1.00 0.14 H new ATOM 0 HB3 PHE A 73 -9.070 -2.220 -1.467 1.00 0.14 H new ATOM 0 HD1 PHE A 73 -7.906 -1.160 0.401 1.00 0.17 H new ATOM 0 HD2 PHE A 73 -5.902 -3.939 -2.129 1.00 0.14 H new ATOM 0 HE1 PHE A 73 -5.750 -0.443 1.317 1.00 0.19 H new ATOM 0 HE2 PHE A 73 -3.743 -3.200 -1.227 1.00 0.16 H new ATOM 0 HZ PHE A 73 -3.668 -1.468 0.514 1.00 0.15 H new ATOM 273 N SER A 74 -10.104 -3.275 1.319 1.00 0.16 N ATOM 274 CA SER A 74 -10.176 -2.738 2.679 1.00 0.18 C ATOM 275 C SER A 74 -9.683 -3.750 3.722 1.00 0.18 C ATOM 276 O SER A 74 -8.894 -3.415 4.607 1.00 0.24 O ATOM 277 CB SER A 74 -11.602 -2.290 3.003 1.00 0.23 C ATOM 278 OG SER A 74 -12.536 -3.348 2.839 1.00 0.71 O ATOM 0 H SER A 74 -10.964 -3.173 0.781 1.00 0.16 H new ATOM 0 HA SER A 74 -9.514 -1.874 2.723 1.00 0.18 H new ATOM 0 HB2 SER A 74 -11.644 -1.923 4.029 1.00 0.23 H new ATOM 0 HB3 SER A 74 -11.878 -1.458 2.356 1.00 0.23 H new ATOM 0 HG SER A 74 -12.880 -3.341 1.921 1.00 0.71 H new ATOM 284 N LYS A 75 -10.139 -4.990 3.610 1.00 0.16 N ATOM 285 CA LYS A 75 -9.733 -6.029 4.546 1.00 0.18 C ATOM 286 C LYS A 75 -8.460 -6.740 4.096 1.00 0.15 C ATOM 287 O LYS A 75 -7.827 -7.435 4.889 1.00 0.20 O ATOM 288 CB LYS A 75 -10.852 -7.038 4.766 1.00 0.24 C ATOM 289 CG LYS A 75 -11.879 -6.582 5.792 1.00 0.76 C ATOM 290 CD LYS A 75 -12.651 -5.355 5.328 1.00 0.90 C ATOM 291 CE LYS A 75 -13.561 -4.817 6.419 1.00 1.87 C ATOM 292 NZ LYS A 75 -14.623 -5.788 6.787 1.00 2.17 N ATOM 0 H LYS A 75 -10.786 -5.300 2.885 1.00 0.16 H new ATOM 0 HA LYS A 75 -9.519 -5.533 5.493 1.00 0.18 H new ATOM 0 HB2 LYS A 75 -11.355 -7.225 3.817 1.00 0.24 H new ATOM 0 HB3 LYS A 75 -10.420 -7.985 5.090 1.00 0.24 H new ATOM 0 HG2 LYS A 75 -12.578 -7.395 5.990 1.00 0.76 H new ATOM 0 HG3 LYS A 75 -11.376 -6.358 6.732 1.00 0.76 H new ATOM 0 HD2 LYS A 75 -11.950 -4.578 5.023 1.00 0.90 H new ATOM 0 HD3 LYS A 75 -13.246 -5.610 4.451 1.00 0.90 H new ATOM 0 HE2 LYS A 75 -12.967 -4.578 7.301 1.00 1.87 H new ATOM 0 HE3 LYS A 75 -14.020 -3.888 6.082 1.00 1.87 H new ATOM 0 HZ1 LYS A 75 -15.271 -5.350 7.472 1.00 2.17 H new ATOM 0 HZ2 LYS A 75 -15.153 -6.062 5.935 1.00 2.17 H new ATOM 0 HZ3 LYS A 75 -14.189 -6.632 7.212 1.00 2.17 H new ATOM 306 N MET A 76 -8.086 -6.572 2.830 1.00 0.13 N ATOM 307 CA MET A 76 -6.857 -7.177 2.317 1.00 0.15 C ATOM 308 C MET A 76 -5.666 -6.556 3.010 1.00 0.16 C ATOM 309 O MET A 76 -4.797 -7.253 3.530 1.00 0.20 O ATOM 310 CB MET A 76 -6.712 -6.974 0.806 1.00 0.17 C ATOM 311 CG MET A 76 -5.567 -7.779 0.194 1.00 0.23 C ATOM 312 SD MET A 76 -5.724 -9.552 0.488 1.00 0.51 S ATOM 313 CE MET A 76 -7.230 -9.914 -0.412 1.00 1.35 C ATOM 0 H MET A 76 -8.610 -6.027 2.145 1.00 0.13 H new ATOM 0 HA MET A 76 -6.905 -8.248 2.515 1.00 0.15 H new ATOM 0 HB2 MET A 76 -7.645 -7.254 0.318 1.00 0.17 H new ATOM 0 HB3 MET A 76 -6.552 -5.915 0.603 1.00 0.17 H new ATOM 0 HG2 MET A 76 -5.533 -7.595 -0.880 1.00 0.23 H new ATOM 0 HG3 MET A 76 -4.621 -7.429 0.608 1.00 0.23 H new ATOM 0 HE1 MET A 76 -7.320 -10.991 -0.553 1.00 1.35 H new ATOM 0 HE2 MET A 76 -8.088 -9.549 0.153 1.00 1.35 H new ATOM 0 HE3 MET A 76 -7.200 -9.422 -1.384 1.00 1.35 H new ATOM 323 N ALA A 77 -5.654 -5.235 3.019 1.00 0.15 N ATOM 324 CA ALA A 77 -4.577 -4.480 3.632 1.00 0.19 C ATOM 325 C ALA A 77 -4.469 -4.775 5.123 1.00 0.26 C ATOM 326 O ALA A 77 -3.373 -4.894 5.665 1.00 0.47 O ATOM 327 CB ALA A 77 -4.784 -2.994 3.406 1.00 0.17 C ATOM 0 H ALA A 77 -6.386 -4.659 2.604 1.00 0.15 H new ATOM 0 HA ALA A 77 -3.643 -4.787 3.161 1.00 0.19 H new ATOM 0 HB1 ALA A 77 -3.969 -2.438 3.871 1.00 0.17 H new ATOM 0 HB2 ALA A 77 -4.800 -2.787 2.336 1.00 0.17 H new ATOM 0 HB3 ALA A 77 -5.731 -2.687 3.849 1.00 0.17 H new ATOM 333 N LYS A 78 -5.616 -4.900 5.778 1.00 0.17 N ATOM 334 CA LYS A 78 -5.660 -5.135 7.207 1.00 0.21 C ATOM 335 C LYS A 78 -5.542 -6.609 7.562 1.00 0.19 C ATOM 336 O LYS A 78 -5.589 -6.976 8.737 1.00 0.33 O ATOM 337 CB LYS A 78 -6.929 -4.550 7.771 1.00 0.32 C ATOM 338 CG LYS A 78 -6.864 -3.049 7.751 1.00 0.54 C ATOM 339 CD LYS A 78 -7.842 -2.415 8.715 1.00 0.46 C ATOM 340 CE LYS A 78 -9.125 -1.969 8.033 1.00 0.58 C ATOM 341 NZ LYS A 78 -10.054 -1.306 8.986 1.00 1.30 N ATOM 0 H LYS A 78 -6.532 -4.841 5.334 1.00 0.17 H new ATOM 0 HA LYS A 78 -4.796 -4.642 7.653 1.00 0.21 H new ATOM 0 HB2 LYS A 78 -7.785 -4.892 7.189 1.00 0.32 H new ATOM 0 HB3 LYS A 78 -7.077 -4.901 8.792 1.00 0.32 H new ATOM 0 HG2 LYS A 78 -5.853 -2.729 8.001 1.00 0.54 H new ATOM 0 HG3 LYS A 78 -7.071 -2.693 6.742 1.00 0.54 H new ATOM 0 HD2 LYS A 78 -8.083 -3.127 9.504 1.00 0.46 H new ATOM 0 HD3 LYS A 78 -7.371 -1.556 9.193 1.00 0.46 H new ATOM 0 HE2 LYS A 78 -8.886 -1.282 7.221 1.00 0.58 H new ATOM 0 HE3 LYS A 78 -9.618 -2.832 7.585 1.00 0.58 H new ATOM 0 HZ1 LYS A 78 -10.917 -1.016 8.484 1.00 1.30 H new ATOM 0 HZ2 LYS A 78 -10.302 -1.970 9.747 1.00 1.30 H new ATOM 0 HZ3 LYS A 78 -9.593 -0.468 9.394 1.00 1.30 H new ATOM 355 N SER A 79 -5.376 -7.444 6.555 1.00 0.13 N ATOM 356 CA SER A 79 -5.247 -8.875 6.769 1.00 0.14 C ATOM 357 C SER A 79 -3.878 -9.194 7.368 1.00 0.15 C ATOM 358 O SER A 79 -2.964 -8.371 7.300 1.00 0.17 O ATOM 359 CB SER A 79 -5.445 -9.626 5.453 1.00 0.21 C ATOM 360 OG SER A 79 -5.417 -11.031 5.646 1.00 0.30 O ATOM 0 H SER A 79 -5.327 -7.157 5.578 1.00 0.13 H new ATOM 0 HA SER A 79 -6.017 -9.199 7.469 1.00 0.14 H new ATOM 0 HB2 SER A 79 -6.398 -9.338 5.008 1.00 0.21 H new ATOM 0 HB3 SER A 79 -4.665 -9.339 4.748 1.00 0.21 H new ATOM 0 HG SER A 79 -5.548 -11.482 4.786 1.00 0.30 H new ATOM 366 N GLN A 80 -3.739 -10.389 7.939 1.00 0.26 N ATOM 367 CA GLN A 80 -2.501 -10.793 8.610 1.00 0.33 C ATOM 368 C GLN A 80 -1.295 -10.653 7.684 1.00 0.27 C ATOM 369 O GLN A 80 -0.210 -10.262 8.113 1.00 0.32 O ATOM 370 CB GLN A 80 -2.609 -12.238 9.108 1.00 0.45 C ATOM 371 CG GLN A 80 -2.761 -13.264 7.992 1.00 1.51 C ATOM 372 CD GLN A 80 -2.861 -14.689 8.496 1.00 1.98 C ATOM 373 OE1 GLN A 80 -3.404 -14.869 9.688 1.00 2.65 O flip ATOM 374 NE2 GLN A 80 -2.449 -15.626 7.814 1.00 2.42 N flip ATOM 0 H GLN A 80 -4.471 -11.099 7.951 1.00 0.26 H new ATOM 0 HA GLN A 80 -2.356 -10.129 9.462 1.00 0.33 H new ATOM 0 HB2 GLN A 80 -1.720 -12.479 9.691 1.00 0.45 H new ATOM 0 HB3 GLN A 80 -3.463 -12.318 9.781 1.00 0.45 H new ATOM 0 HG2 GLN A 80 -3.652 -13.028 7.411 1.00 1.51 H new ATOM 0 HG3 GLN A 80 -1.909 -13.184 7.316 1.00 1.51 H new ATOM 0 HE21 GLN A 80 -2.036 -15.448 6.899 1.00 2.42 H new ATOM 0 HE22 GLN A 80 -2.520 -16.581 8.164 1.00 2.42 H new ATOM 383 N SER A 81 -1.500 -10.950 6.410 1.00 0.24 N ATOM 384 CA SER A 81 -0.428 -10.927 5.435 1.00 0.22 C ATOM 385 C SER A 81 -0.017 -9.497 5.092 1.00 0.16 C ATOM 386 O SER A 81 1.167 -9.152 5.130 1.00 0.18 O ATOM 387 CB SER A 81 -0.868 -11.678 4.179 1.00 0.27 C ATOM 388 OG SER A 81 -2.217 -11.373 3.853 1.00 0.99 O ATOM 0 H SER A 81 -2.409 -11.212 6.028 1.00 0.24 H new ATOM 0 HA SER A 81 0.444 -11.420 5.865 1.00 0.22 H new ATOM 0 HB2 SER A 81 -0.219 -11.412 3.345 1.00 0.27 H new ATOM 0 HB3 SER A 81 -0.761 -12.751 4.336 1.00 0.27 H new ATOM 0 HG SER A 81 -2.477 -11.863 3.045 1.00 0.99 H new ATOM 394 N PHE A 82 -0.994 -8.653 4.790 1.00 0.12 N ATOM 395 CA PHE A 82 -0.694 -7.310 4.326 1.00 0.11 C ATOM 396 C PHE A 82 -0.420 -6.360 5.487 1.00 0.12 C ATOM 397 O PHE A 82 0.150 -5.297 5.297 1.00 0.14 O ATOM 398 CB PHE A 82 -1.794 -6.740 3.445 1.00 0.12 C ATOM 399 CG PHE A 82 -1.241 -5.910 2.326 1.00 0.11 C ATOM 400 CD1 PHE A 82 -0.470 -6.498 1.336 1.00 0.09 C ATOM 401 CD2 PHE A 82 -1.472 -4.548 2.271 1.00 0.14 C ATOM 402 CE1 PHE A 82 0.057 -5.740 0.312 1.00 0.10 C ATOM 403 CE2 PHE A 82 -0.950 -3.786 1.251 1.00 0.13 C ATOM 404 CZ PHE A 82 -0.182 -4.381 0.271 1.00 0.09 C ATOM 0 H PHE A 82 -1.988 -8.872 4.857 1.00 0.12 H new ATOM 0 HA PHE A 82 0.209 -7.398 3.723 1.00 0.11 H new ATOM 0 HB2 PHE A 82 -2.388 -7.556 3.033 1.00 0.12 H new ATOM 0 HB3 PHE A 82 -2.465 -6.131 4.051 1.00 0.12 H new ATOM 0 HD1 PHE A 82 -0.280 -7.561 1.367 1.00 0.09 H new ATOM 0 HD2 PHE A 82 -2.069 -4.077 3.038 1.00 0.14 H new ATOM 0 HE1 PHE A 82 0.655 -6.208 -0.456 1.00 0.10 H new ATOM 0 HE2 PHE A 82 -1.141 -2.724 1.217 1.00 0.13 H new ATOM 0 HZ PHE A 82 0.232 -3.784 -0.528 1.00 0.09 H new ATOM 414 N SER A 83 -0.861 -6.696 6.676 1.00 0.13 N ATOM 415 CA SER A 83 -0.568 -5.856 7.821 1.00 0.17 C ATOM 416 C SER A 83 0.945 -5.760 8.031 1.00 0.21 C ATOM 417 O SER A 83 1.461 -4.707 8.390 1.00 0.40 O ATOM 418 CB SER A 83 -1.256 -6.403 9.074 1.00 0.21 C ATOM 419 OG SER A 83 -1.275 -5.440 10.116 1.00 1.17 O ATOM 0 H SER A 83 -1.414 -7.529 6.878 1.00 0.13 H new ATOM 0 HA SER A 83 -0.954 -4.855 7.631 1.00 0.17 H new ATOM 0 HB2 SER A 83 -2.277 -6.699 8.831 1.00 0.21 H new ATOM 0 HB3 SER A 83 -0.737 -7.299 9.414 1.00 0.21 H new ATOM 0 HG SER A 83 -1.722 -5.818 10.902 1.00 1.17 H new ATOM 425 N THR A 84 1.647 -6.851 7.756 1.00 0.17 N ATOM 426 CA THR A 84 3.070 -6.943 8.002 1.00 0.22 C ATOM 427 C THR A 84 3.927 -6.637 6.763 1.00 0.16 C ATOM 428 O THR A 84 4.948 -5.958 6.869 1.00 0.21 O ATOM 429 CB THR A 84 3.390 -8.360 8.503 1.00 0.36 C ATOM 430 OG1 THR A 84 2.951 -8.523 9.855 1.00 0.80 O ATOM 431 CG2 THR A 84 4.857 -8.660 8.385 1.00 0.64 C ATOM 0 H THR A 84 1.240 -7.696 7.355 1.00 0.17 H new ATOM 0 HA THR A 84 3.319 -6.187 8.747 1.00 0.22 H new ATOM 0 HB THR A 84 2.852 -9.069 7.873 1.00 0.36 H new ATOM 0 HG1 THR A 84 3.160 -9.431 10.160 1.00 0.80 H new ATOM 0 HG21 THR A 84 5.052 -9.669 8.747 1.00 0.64 H new ATOM 0 HG22 THR A 84 5.161 -8.584 7.341 1.00 0.64 H new ATOM 0 HG23 THR A 84 5.424 -7.945 8.981 1.00 0.64 H new ATOM 439 N ARG A 85 3.469 -7.101 5.599 1.00 0.15 N ATOM 440 CA ARG A 85 4.313 -7.262 4.402 1.00 0.16 C ATOM 441 C ARG A 85 5.345 -6.130 4.190 1.00 0.15 C ATOM 442 O ARG A 85 6.534 -6.400 4.033 1.00 0.15 O ATOM 443 CB ARG A 85 3.437 -7.470 3.144 1.00 0.19 C ATOM 444 CG ARG A 85 2.921 -6.196 2.497 1.00 0.17 C ATOM 445 CD ARG A 85 2.114 -5.395 3.468 1.00 0.14 C ATOM 446 NE ARG A 85 1.828 -4.039 3.004 1.00 0.14 N ATOM 447 CZ ARG A 85 1.790 -2.970 3.805 1.00 0.14 C ATOM 448 NH1 ARG A 85 1.924 -3.113 5.123 1.00 0.14 N ATOM 449 NH2 ARG A 85 1.594 -1.762 3.287 1.00 0.19 N ATOM 0 H ARG A 85 2.498 -7.378 5.454 1.00 0.15 H new ATOM 0 HA ARG A 85 4.910 -8.157 4.577 1.00 0.16 H new ATOM 0 HB2 ARG A 85 4.016 -8.025 2.406 1.00 0.19 H new ATOM 0 HB3 ARG A 85 2.584 -8.093 3.414 1.00 0.19 H new ATOM 0 HG2 ARG A 85 3.760 -5.601 2.137 1.00 0.17 H new ATOM 0 HG3 ARG A 85 2.311 -6.445 1.629 1.00 0.17 H new ATOM 0 HD2 ARG A 85 1.174 -5.911 3.661 1.00 0.14 H new ATOM 0 HD3 ARG A 85 2.648 -5.342 4.417 1.00 0.14 H new ATOM 0 HE ARG A 85 1.647 -3.900 2.010 1.00 0.14 H new ATOM 0 HH11 ARG A 85 2.056 -4.041 5.524 1.00 0.14 H new ATOM 0 HH12 ARG A 85 1.894 -2.294 5.730 1.00 0.14 H new ATOM 0 HH21 ARG A 85 1.473 -1.652 2.280 1.00 0.19 H new ATOM 0 HH22 ARG A 85 1.565 -0.944 3.896 1.00 0.19 H new ATOM 463 N ILE A 86 4.903 -4.873 4.192 1.00 0.13 N ATOM 464 CA ILE A 86 5.795 -3.763 3.911 1.00 0.13 C ATOM 465 C ILE A 86 6.399 -3.205 5.196 1.00 0.14 C ATOM 466 O ILE A 86 7.536 -2.741 5.201 1.00 0.16 O ATOM 467 CB ILE A 86 5.096 -2.619 3.144 1.00 0.10 C ATOM 468 CG1 ILE A 86 4.481 -3.132 1.849 1.00 0.14 C ATOM 469 CG2 ILE A 86 6.077 -1.514 2.840 1.00 0.13 C ATOM 470 CD1 ILE A 86 5.369 -4.103 1.125 1.00 0.21 C ATOM 0 H ILE A 86 3.938 -4.605 4.384 1.00 0.13 H new ATOM 0 HA ILE A 86 6.585 -4.165 3.276 1.00 0.13 H new ATOM 0 HB ILE A 86 4.300 -2.226 3.777 1.00 0.10 H new ATOM 0 HG12 ILE A 86 3.529 -3.614 2.071 1.00 0.14 H new ATOM 0 HG13 ILE A 86 4.266 -2.287 1.195 1.00 0.14 H new ATOM 0 HG21 ILE A 86 5.569 -0.715 2.299 1.00 0.13 H new ATOM 0 HG22 ILE A 86 6.482 -1.121 3.772 1.00 0.13 H new ATOM 0 HG23 ILE A 86 6.889 -1.907 2.228 1.00 0.13 H new ATOM 0 HD11 ILE A 86 4.877 -4.434 0.210 1.00 0.21 H new ATOM 0 HD12 ILE A 86 6.312 -3.617 0.875 1.00 0.21 H new ATOM 0 HD13 ILE A 86 5.563 -4.964 1.764 1.00 0.21 H new ATOM 482 N GLU A 87 5.616 -3.231 6.274 1.00 0.16 N ATOM 483 CA GLU A 87 6.065 -2.760 7.581 1.00 0.20 C ATOM 484 C GLU A 87 7.414 -3.361 7.959 1.00 0.22 C ATOM 485 O GLU A 87 8.284 -2.676 8.499 1.00 0.28 O ATOM 486 CB GLU A 87 5.031 -3.103 8.653 1.00 0.27 C ATOM 487 CG GLU A 87 3.674 -2.459 8.428 1.00 0.40 C ATOM 488 CD GLU A 87 2.910 -2.256 9.716 1.00 0.44 C ATOM 489 OE1 GLU A 87 2.954 -3.145 10.590 1.00 0.56 O ATOM 490 OE2 GLU A 87 2.260 -1.200 9.858 1.00 0.89 O ATOM 0 H GLU A 87 4.657 -3.578 6.265 1.00 0.16 H new ATOM 0 HA GLU A 87 6.179 -1.678 7.519 1.00 0.20 H new ATOM 0 HB2 GLU A 87 4.907 -4.185 8.691 1.00 0.27 H new ATOM 0 HB3 GLU A 87 5.413 -2.792 9.625 1.00 0.27 H new ATOM 0 HG2 GLU A 87 3.809 -1.497 7.934 1.00 0.40 H new ATOM 0 HG3 GLU A 87 3.086 -3.083 7.755 1.00 0.40 H new ATOM 497 N GLU A 88 7.586 -4.637 7.647 1.00 0.25 N ATOM 498 CA GLU A 88 8.807 -5.353 7.958 1.00 0.30 C ATOM 499 C GLU A 88 9.922 -4.982 6.995 1.00 0.32 C ATOM 500 O GLU A 88 11.102 -5.177 7.277 1.00 0.37 O ATOM 501 CB GLU A 88 8.532 -6.832 7.905 1.00 0.42 C ATOM 502 CG GLU A 88 8.006 -7.364 9.218 1.00 0.52 C ATOM 503 CD GLU A 88 7.311 -6.324 10.085 1.00 1.09 C ATOM 504 OE1 GLU A 88 7.998 -5.646 10.873 1.00 1.54 O ATOM 505 OE2 GLU A 88 6.076 -6.164 9.957 1.00 1.64 O ATOM 0 H GLU A 88 6.882 -5.202 7.172 1.00 0.25 H new ATOM 0 HA GLU A 88 9.137 -5.076 8.959 1.00 0.30 H new ATOM 0 HB2 GLU A 88 7.808 -7.037 7.116 1.00 0.42 H new ATOM 0 HB3 GLU A 88 9.448 -7.361 7.642 1.00 0.42 H new ATOM 0 HG2 GLU A 88 7.307 -8.175 9.013 1.00 0.52 H new ATOM 0 HG3 GLU A 88 8.835 -7.793 9.781 1.00 0.52 H new ATOM 512 N LEU A 89 9.530 -4.432 5.861 1.00 0.34 N ATOM 513 CA LEU A 89 10.466 -4.073 4.814 1.00 0.35 C ATOM 514 C LEU A 89 10.938 -2.631 4.962 1.00 0.34 C ATOM 515 O LEU A 89 11.983 -2.248 4.433 1.00 0.38 O ATOM 516 CB LEU A 89 9.816 -4.272 3.450 1.00 0.33 C ATOM 517 CG LEU A 89 10.583 -5.177 2.496 1.00 0.32 C ATOM 518 CD1 LEU A 89 12.065 -4.856 2.504 1.00 0.32 C ATOM 519 CD2 LEU A 89 10.350 -6.629 2.848 1.00 0.37 C ATOM 0 H LEU A 89 8.556 -4.222 5.641 1.00 0.34 H new ATOM 0 HA LEU A 89 11.338 -4.722 4.900 1.00 0.35 H new ATOM 0 HB2 LEU A 89 8.819 -4.687 3.597 1.00 0.33 H new ATOM 0 HB3 LEU A 89 9.690 -3.297 2.979 1.00 0.33 H new ATOM 0 HG LEU A 89 10.211 -4.997 1.488 1.00 0.32 H new ATOM 0 HD11 LEU A 89 12.585 -5.519 1.813 1.00 0.32 H new ATOM 0 HD12 LEU A 89 12.215 -3.821 2.196 1.00 0.32 H new ATOM 0 HD13 LEU A 89 12.462 -4.996 3.509 1.00 0.32 H new ATOM 0 HD21 LEU A 89 10.905 -7.264 2.157 1.00 0.37 H new ATOM 0 HD22 LEU A 89 10.691 -6.816 3.866 1.00 0.37 H new ATOM 0 HD23 LEU A 89 9.286 -6.855 2.774 1.00 0.37 H new ATOM 531 N GLY A 90 10.166 -1.834 5.676 1.00 0.31 N ATOM 532 CA GLY A 90 10.546 -0.460 5.901 1.00 0.31 C ATOM 533 C GLY A 90 9.379 0.499 5.765 1.00 0.26 C ATOM 534 O GLY A 90 9.418 1.615 6.281 1.00 0.29 O ATOM 0 H GLY A 90 9.283 -2.113 6.104 1.00 0.31 H new ATOM 0 HA2 GLY A 90 10.975 -0.365 6.898 1.00 0.31 H new ATOM 0 HA3 GLY A 90 11.325 -0.182 5.191 1.00 0.31 H new ATOM 538 N GLY A 91 8.334 0.061 5.074 1.00 0.22 N ATOM 539 CA GLY A 91 7.168 0.904 4.872 1.00 0.18 C ATOM 540 C GLY A 91 6.049 0.570 5.844 1.00 0.14 C ATOM 541 O GLY A 91 6.324 0.079 6.939 1.00 0.16 O ATOM 0 H GLY A 91 8.272 -0.864 4.649 1.00 0.22 H new ATOM 0 HA2 GLY A 91 7.452 1.950 4.991 1.00 0.18 H new ATOM 0 HA3 GLY A 91 6.808 0.786 3.850 1.00 0.18 H new ATOM 545 N SER A 92 4.788 0.817 5.448 1.00 0.12 N ATOM 546 CA SER A 92 3.640 0.507 6.301 1.00 0.12 C ATOM 547 C SER A 92 2.310 0.896 5.651 1.00 0.11 C ATOM 548 O SER A 92 2.266 1.326 4.498 1.00 0.12 O ATOM 549 CB SER A 92 3.783 1.185 7.665 1.00 0.16 C ATOM 550 OG SER A 92 4.021 2.578 7.525 1.00 0.21 O ATOM 0 H SER A 92 4.544 1.228 4.547 1.00 0.12 H new ATOM 0 HA SER A 92 3.629 -0.574 6.439 1.00 0.12 H new ATOM 0 HB2 SER A 92 2.877 1.025 8.250 1.00 0.16 H new ATOM 0 HB3 SER A 92 4.604 0.727 8.217 1.00 0.16 H new ATOM 0 HG SER A 92 4.107 2.986 8.412 1.00 0.21 H new ATOM 556 N ILE A 93 1.225 0.674 6.391 1.00 0.14 N ATOM 557 CA ILE A 93 -0.128 1.002 5.942 1.00 0.13 C ATOM 558 C ILE A 93 -0.620 2.292 6.614 1.00 0.14 C ATOM 559 O ILE A 93 -0.331 2.530 7.786 1.00 0.25 O ATOM 560 CB ILE A 93 -1.122 -0.132 6.306 1.00 0.18 C ATOM 561 CG1 ILE A 93 -0.838 -1.419 5.538 1.00 0.18 C ATOM 562 CG2 ILE A 93 -2.544 0.299 6.031 1.00 0.22 C ATOM 563 CD1 ILE A 93 -1.061 -2.659 6.369 1.00 0.24 C ATOM 0 H ILE A 93 1.259 0.260 7.323 1.00 0.14 H new ATOM 0 HA ILE A 93 -0.088 1.129 4.860 1.00 0.13 H new ATOM 0 HB ILE A 93 -0.990 -0.331 7.369 1.00 0.18 H new ATOM 0 HG12 ILE A 93 -1.477 -1.459 4.656 1.00 0.18 H new ATOM 0 HG13 ILE A 93 0.193 -1.405 5.184 1.00 0.18 H new ATOM 0 HG21 ILE A 93 -3.226 -0.510 6.293 1.00 0.22 H new ATOM 0 HG22 ILE A 93 -2.779 1.180 6.628 1.00 0.22 H new ATOM 0 HG23 ILE A 93 -2.654 0.538 4.973 1.00 0.22 H new ATOM 0 HD11 ILE A 93 -0.843 -3.543 5.769 1.00 0.24 H new ATOM 0 HD12 ILE A 93 -0.403 -2.638 7.237 1.00 0.24 H new ATOM 0 HD13 ILE A 93 -2.099 -2.693 6.701 1.00 0.24 H new ATOM 575 N SER A 94 -1.345 3.121 5.872 1.00 0.09 N ATOM 576 CA SER A 94 -2.045 4.259 6.458 1.00 0.12 C ATOM 577 C SER A 94 -3.495 4.280 6.000 1.00 0.14 C ATOM 578 O SER A 94 -3.781 4.589 4.848 1.00 0.19 O ATOM 579 CB SER A 94 -1.382 5.581 6.072 1.00 0.15 C ATOM 580 OG SER A 94 0.029 5.496 6.174 1.00 0.17 O ATOM 0 H SER A 94 -1.464 3.027 4.863 1.00 0.09 H new ATOM 0 HA SER A 94 -2.000 4.147 7.541 1.00 0.12 H new ATOM 0 HB2 SER A 94 -1.660 5.846 5.052 1.00 0.15 H new ATOM 0 HB3 SER A 94 -1.749 6.377 6.720 1.00 0.15 H new ATOM 0 HG SER A 94 0.351 6.159 6.820 1.00 0.17 H new ATOM 586 N PHE A 95 -4.406 3.953 6.895 1.00 0.15 N ATOM 587 CA PHE A 95 -5.816 3.947 6.555 1.00 0.16 C ATOM 588 C PHE A 95 -6.438 5.304 6.781 1.00 0.18 C ATOM 589 O PHE A 95 -6.591 5.761 7.916 1.00 0.26 O ATOM 590 CB PHE A 95 -6.579 2.895 7.348 1.00 0.18 C ATOM 591 CG PHE A 95 -6.786 1.615 6.598 1.00 0.26 C ATOM 592 CD1 PHE A 95 -5.744 0.720 6.435 1.00 0.39 C ATOM 593 CD2 PHE A 95 -8.017 1.308 6.058 1.00 0.39 C ATOM 594 CE1 PHE A 95 -5.926 -0.461 5.748 1.00 0.50 C ATOM 595 CE2 PHE A 95 -8.209 0.127 5.367 1.00 0.50 C ATOM 596 CZ PHE A 95 -7.175 -0.753 5.204 1.00 0.52 C ATOM 0 H PHE A 95 -4.198 3.689 7.858 1.00 0.15 H new ATOM 0 HA PHE A 95 -5.885 3.699 5.496 1.00 0.16 H new ATOM 0 HB2 PHE A 95 -6.038 2.683 8.270 1.00 0.18 H new ATOM 0 HB3 PHE A 95 -7.550 3.300 7.634 1.00 0.18 H new ATOM 0 HD1 PHE A 95 -4.774 0.950 6.852 1.00 0.39 H new ATOM 0 HD2 PHE A 95 -8.840 1.998 6.176 1.00 0.39 H new ATOM 0 HE1 PHE A 95 -5.107 -1.155 5.632 1.00 0.50 H new ATOM 0 HE2 PHE A 95 -9.180 -0.102 4.954 1.00 0.50 H new ATOM 0 HZ PHE A 95 -7.326 -1.671 4.656 1.00 0.52 H new ATOM 606 N LEU A 96 -6.776 5.947 5.689 1.00 0.16 N ATOM 607 CA LEU A 96 -7.486 7.203 5.727 1.00 0.18 C ATOM 608 C LEU A 96 -8.941 6.920 5.353 1.00 0.21 C ATOM 609 O LEU A 96 -9.408 7.268 4.262 1.00 0.23 O ATOM 610 CB LEU A 96 -6.832 8.212 4.767 1.00 0.20 C ATOM 611 CG LEU A 96 -5.291 8.230 4.789 1.00 0.21 C ATOM 612 CD1 LEU A 96 -4.742 9.308 3.880 1.00 0.70 C ATOM 613 CD2 LEU A 96 -4.767 8.421 6.203 1.00 0.79 C ATOM 0 H LEU A 96 -6.566 5.614 4.748 1.00 0.16 H new ATOM 0 HA LEU A 96 -7.447 7.647 6.722 1.00 0.18 H new ATOM 0 HB2 LEU A 96 -7.163 7.992 3.752 1.00 0.20 H new ATOM 0 HB3 LEU A 96 -7.195 9.210 5.011 1.00 0.20 H new ATOM 0 HG LEU A 96 -4.949 7.263 4.420 1.00 0.21 H new ATOM 0 HD11 LEU A 96 -3.653 9.295 3.917 1.00 0.70 H new ATOM 0 HD12 LEU A 96 -5.072 9.125 2.858 1.00 0.70 H new ATOM 0 HD13 LEU A 96 -5.105 10.282 4.210 1.00 0.70 H new ATOM 0 HD21 LEU A 96 -3.677 8.430 6.189 1.00 0.79 H new ATOM 0 HD22 LEU A 96 -5.132 9.367 6.602 1.00 0.79 H new ATOM 0 HD23 LEU A 96 -5.115 7.603 6.834 1.00 0.79 H new ATOM 625 N THR A 97 -9.642 6.261 6.276 1.00 0.24 N ATOM 626 CA THR A 97 -10.959 5.680 6.015 1.00 0.29 C ATOM 627 C THR A 97 -12.036 6.734 5.762 1.00 0.34 C ATOM 628 O THR A 97 -13.143 6.407 5.331 1.00 0.41 O ATOM 629 CB THR A 97 -11.392 4.775 7.185 1.00 0.33 C ATOM 630 OG1 THR A 97 -11.098 5.427 8.427 1.00 0.36 O ATOM 631 CG2 THR A 97 -10.681 3.426 7.128 1.00 0.35 C ATOM 0 H THR A 97 -9.311 6.115 7.230 1.00 0.24 H new ATOM 0 HA THR A 97 -10.858 5.090 5.104 1.00 0.29 H new ATOM 0 HB THR A 97 -12.464 4.597 7.106 1.00 0.33 H new ATOM 0 HG1 THR A 97 -11.375 4.853 9.171 1.00 0.36 H new ATOM 0 HG21 THR A 97 -11.005 2.808 7.965 1.00 0.35 H new ATOM 0 HG22 THR A 97 -10.925 2.925 6.191 1.00 0.35 H new ATOM 0 HG23 THR A 97 -9.604 3.580 7.187 1.00 0.35 H new ATOM 639 N GLU A 98 -11.708 7.996 6.013 1.00 0.34 N ATOM 640 CA GLU A 98 -12.626 9.097 5.740 1.00 0.42 C ATOM 641 C GLU A 98 -13.082 9.089 4.286 1.00 0.38 C ATOM 642 O GLU A 98 -14.235 9.391 3.979 1.00 0.39 O ATOM 643 CB GLU A 98 -11.963 10.435 6.046 1.00 0.52 C ATOM 644 CG GLU A 98 -10.555 10.574 5.495 1.00 0.85 C ATOM 645 CD GLU A 98 -9.989 11.956 5.728 1.00 1.14 C ATOM 646 OE1 GLU A 98 -10.600 12.940 5.261 1.00 1.39 O ATOM 647 OE2 GLU A 98 -8.917 12.064 6.362 1.00 1.45 O ATOM 0 H GLU A 98 -10.812 8.283 6.406 1.00 0.34 H new ATOM 0 HA GLU A 98 -13.495 8.963 6.384 1.00 0.42 H new ATOM 0 HB2 GLU A 98 -12.581 11.235 5.639 1.00 0.52 H new ATOM 0 HB3 GLU A 98 -11.933 10.574 7.127 1.00 0.52 H new ATOM 0 HG2 GLU A 98 -9.907 9.833 5.964 1.00 0.85 H new ATOM 0 HG3 GLU A 98 -10.561 10.360 4.426 1.00 0.85 H new ATOM 654 N THR A 99 -12.170 8.742 3.398 1.00 0.37 N ATOM 655 CA THR A 99 -12.450 8.728 1.976 1.00 0.37 C ATOM 656 C THR A 99 -12.211 7.321 1.408 1.00 0.34 C ATOM 657 O THR A 99 -12.289 7.086 0.200 1.00 0.55 O ATOM 658 CB THR A 99 -11.556 9.770 1.266 1.00 0.44 C ATOM 659 OG1 THR A 99 -11.678 11.040 1.916 1.00 0.50 O ATOM 660 CG2 THR A 99 -11.918 9.927 -0.204 1.00 0.49 C ATOM 0 H THR A 99 -11.219 8.463 3.641 1.00 0.37 H new ATOM 0 HA THR A 99 -13.494 8.990 1.805 1.00 0.37 H new ATOM 0 HB THR A 99 -10.529 9.410 1.326 1.00 0.44 H new ATOM 0 HG1 THR A 99 -11.108 11.696 1.463 1.00 0.50 H new ATOM 0 HG21 THR A 99 -11.264 10.669 -0.662 1.00 0.49 H new ATOM 0 HG22 THR A 99 -11.795 8.971 -0.713 1.00 0.49 H new ATOM 0 HG23 THR A 99 -12.954 10.254 -0.291 1.00 0.49 H new ATOM 668 N GLY A 100 -11.945 6.377 2.306 1.00 0.19 N ATOM 669 CA GLY A 100 -11.631 5.022 1.892 1.00 0.18 C ATOM 670 C GLY A 100 -10.292 4.945 1.202 1.00 0.16 C ATOM 671 O GLY A 100 -10.153 4.257 0.206 1.00 0.21 O ATOM 0 H GLY A 100 -11.941 6.527 3.315 1.00 0.19 H new ATOM 0 HA2 GLY A 100 -11.630 4.367 2.763 1.00 0.18 H new ATOM 0 HA3 GLY A 100 -12.408 4.658 1.220 1.00 0.18 H new ATOM 675 N VAL A 101 -9.317 5.692 1.689 1.00 0.13 N ATOM 676 CA VAL A 101 -7.999 5.665 1.094 1.00 0.14 C ATOM 677 C VAL A 101 -6.993 4.984 2.007 1.00 0.12 C ATOM 678 O VAL A 101 -6.694 5.472 3.093 1.00 0.23 O ATOM 679 CB VAL A 101 -7.473 7.070 0.788 1.00 0.16 C ATOM 680 CG1 VAL A 101 -6.196 6.965 -0.017 1.00 0.21 C ATOM 681 CG2 VAL A 101 -8.508 7.904 0.057 1.00 0.23 C ATOM 0 H VAL A 101 -9.414 6.319 2.488 1.00 0.13 H new ATOM 0 HA VAL A 101 -8.107 5.106 0.164 1.00 0.14 H new ATOM 0 HB VAL A 101 -7.262 7.576 1.730 1.00 0.16 H new ATOM 0 HG11 VAL A 101 -5.820 7.965 -0.236 1.00 0.21 H new ATOM 0 HG12 VAL A 101 -5.450 6.414 0.555 1.00 0.21 H new ATOM 0 HG13 VAL A 101 -6.397 6.441 -0.951 1.00 0.21 H new ATOM 0 HG21 VAL A 101 -8.101 8.895 -0.144 1.00 0.23 H new ATOM 0 HG22 VAL A 101 -8.766 7.420 -0.885 1.00 0.23 H new ATOM 0 HG23 VAL A 101 -9.402 7.997 0.674 1.00 0.23 H new ATOM 691 N THR A 102 -6.480 3.863 1.566 1.00 0.10 N ATOM 692 CA THR A 102 -5.399 3.204 2.251 1.00 0.09 C ATOM 693 C THR A 102 -4.069 3.574 1.610 1.00 0.09 C ATOM 694 O THR A 102 -3.740 3.105 0.525 1.00 0.10 O ATOM 695 CB THR A 102 -5.574 1.684 2.211 1.00 0.10 C ATOM 696 OG1 THR A 102 -6.855 1.335 2.739 1.00 0.11 O ATOM 697 CG2 THR A 102 -4.483 0.992 3.012 1.00 0.12 C ATOM 0 H THR A 102 -6.799 3.383 0.724 1.00 0.10 H new ATOM 0 HA THR A 102 -5.409 3.533 3.290 1.00 0.09 H new ATOM 0 HB THR A 102 -5.502 1.354 1.175 1.00 0.10 H new ATOM 0 HG1 THR A 102 -6.739 0.779 3.537 1.00 0.11 H new ATOM 0 HG21 THR A 102 -4.629 -0.087 2.969 1.00 0.12 H new ATOM 0 HG22 THR A 102 -3.509 1.244 2.593 1.00 0.12 H new ATOM 0 HG23 THR A 102 -4.528 1.323 4.050 1.00 0.12 H new ATOM 705 N MET A 103 -3.313 4.433 2.264 1.00 0.10 N ATOM 706 CA MET A 103 -2.005 4.806 1.756 1.00 0.10 C ATOM 707 C MET A 103 -0.968 3.769 2.158 1.00 0.10 C ATOM 708 O MET A 103 -0.725 3.557 3.341 1.00 0.13 O ATOM 709 CB MET A 103 -1.572 6.176 2.262 1.00 0.12 C ATOM 710 CG MET A 103 -1.859 7.314 1.301 1.00 0.20 C ATOM 711 SD MET A 103 -3.575 7.829 1.315 1.00 1.26 S ATOM 712 CE MET A 103 -3.472 9.381 0.423 1.00 1.19 C ATOM 0 H MET A 103 -3.577 4.883 3.140 1.00 0.10 H new ATOM 0 HA MET A 103 -2.080 4.851 0.670 1.00 0.10 H new ATOM 0 HB2 MET A 103 -2.076 6.378 3.207 1.00 0.12 H new ATOM 0 HB3 MET A 103 -0.502 6.152 2.470 1.00 0.12 H new ATOM 0 HG2 MET A 103 -1.228 8.165 1.557 1.00 0.20 H new ATOM 0 HG3 MET A 103 -1.586 7.007 0.291 1.00 0.20 H new ATOM 0 HE1 MET A 103 -3.936 10.171 1.013 1.00 1.19 H new ATOM 0 HE2 MET A 103 -2.426 9.629 0.243 1.00 1.19 H new ATOM 0 HE3 MET A 103 -3.992 9.288 -0.531 1.00 1.19 H new ATOM 722 N ILE A 104 -0.379 3.101 1.185 1.00 0.08 N ATOM 723 CA ILE A 104 0.705 2.177 1.472 1.00 0.08 C ATOM 724 C ILE A 104 2.036 2.834 1.217 1.00 0.08 C ATOM 725 O ILE A 104 2.288 3.336 0.134 1.00 0.12 O ATOM 726 CB ILE A 104 0.624 0.862 0.661 1.00 0.08 C ATOM 727 CG1 ILE A 104 -0.420 -0.060 1.274 1.00 0.10 C ATOM 728 CG2 ILE A 104 1.983 0.160 0.601 1.00 0.10 C ATOM 729 CD1 ILE A 104 -1.829 0.235 0.828 1.00 0.10 C ATOM 0 H ILE A 104 -0.628 3.178 0.199 1.00 0.08 H new ATOM 0 HA ILE A 104 0.604 1.914 2.525 1.00 0.08 H new ATOM 0 HB ILE A 104 0.332 1.109 -0.360 1.00 0.08 H new ATOM 0 HG12 ILE A 104 -0.176 -1.091 1.018 1.00 0.10 H new ATOM 0 HG13 ILE A 104 -0.368 0.019 2.360 1.00 0.10 H new ATOM 0 HG21 ILE A 104 1.892 -0.760 0.024 1.00 0.10 H new ATOM 0 HG22 ILE A 104 2.711 0.816 0.124 1.00 0.10 H new ATOM 0 HG23 ILE A 104 2.315 -0.077 1.612 1.00 0.10 H new ATOM 0 HD11 ILE A 104 -2.516 -0.463 1.307 1.00 0.10 H new ATOM 0 HD12 ILE A 104 -2.094 1.255 1.109 1.00 0.10 H new ATOM 0 HD13 ILE A 104 -1.898 0.127 -0.254 1.00 0.10 H new ATOM 741 N GLU A 105 2.876 2.839 2.219 1.00 0.09 N ATOM 742 CA GLU A 105 4.207 3.355 2.064 1.00 0.10 C ATOM 743 C GLU A 105 5.192 2.202 1.916 1.00 0.10 C ATOM 744 O GLU A 105 5.300 1.367 2.801 1.00 0.13 O ATOM 745 CB GLU A 105 4.552 4.248 3.252 1.00 0.13 C ATOM 746 CG GLU A 105 4.658 5.710 2.871 1.00 0.19 C ATOM 747 CD GLU A 105 4.555 6.650 4.052 1.00 0.35 C ATOM 748 OE1 GLU A 105 3.431 6.852 4.553 1.00 0.48 O ATOM 749 OE2 GLU A 105 5.590 7.200 4.479 1.00 0.45 O ATOM 0 H GLU A 105 2.659 2.490 3.153 1.00 0.09 H new ATOM 0 HA GLU A 105 4.269 3.962 1.161 1.00 0.10 H new ATOM 0 HB2 GLU A 105 3.790 4.132 4.023 1.00 0.13 H new ATOM 0 HB3 GLU A 105 5.497 3.920 3.686 1.00 0.13 H new ATOM 0 HG2 GLU A 105 5.609 5.878 2.365 1.00 0.19 H new ATOM 0 HG3 GLU A 105 3.870 5.949 2.156 1.00 0.19 H new ATOM 756 N LEU A 106 5.855 2.135 0.769 1.00 0.12 N ATOM 757 CA LEU A 106 6.849 1.104 0.490 1.00 0.12 C ATOM 758 C LEU A 106 8.083 1.719 -0.145 1.00 0.16 C ATOM 759 O LEU A 106 7.995 2.413 -1.154 1.00 0.19 O ATOM 760 CB LEU A 106 6.266 0.019 -0.431 1.00 0.12 C ATOM 761 CG LEU A 106 7.271 -1.028 -0.945 1.00 0.14 C ATOM 762 CD1 LEU A 106 6.553 -2.305 -1.299 1.00 0.17 C ATOM 763 CD2 LEU A 106 8.019 -0.534 -2.176 1.00 0.16 C ATOM 0 H LEU A 106 5.719 2.795 0.003 1.00 0.12 H new ATOM 0 HA LEU A 106 7.132 0.639 1.435 1.00 0.12 H new ATOM 0 HB2 LEU A 106 5.471 -0.499 0.106 1.00 0.12 H new ATOM 0 HB3 LEU A 106 5.805 0.506 -1.290 1.00 0.12 H new ATOM 0 HG LEU A 106 7.990 -1.205 -0.145 1.00 0.14 H new ATOM 0 HD11 LEU A 106 7.273 -3.039 -1.661 1.00 0.17 H new ATOM 0 HD12 LEU A 106 6.050 -2.696 -0.415 1.00 0.17 H new ATOM 0 HD13 LEU A 106 5.816 -2.105 -2.077 1.00 0.17 H new ATOM 0 HD21 LEU A 106 8.719 -1.301 -2.509 1.00 0.16 H new ATOM 0 HD22 LEU A 106 7.307 -0.322 -2.974 1.00 0.16 H new ATOM 0 HD23 LEU A 106 8.567 0.375 -1.928 1.00 0.16 H new ATOM 775 N PRO A 107 9.253 1.468 0.432 1.00 0.17 N ATOM 776 CA PRO A 107 10.512 1.979 -0.085 1.00 0.21 C ATOM 777 C PRO A 107 11.025 1.155 -1.251 1.00 0.25 C ATOM 778 O PRO A 107 10.787 -0.041 -1.334 1.00 0.20 O ATOM 779 CB PRO A 107 11.442 1.827 1.102 1.00 0.23 C ATOM 780 CG PRO A 107 10.943 0.605 1.782 1.00 0.21 C ATOM 781 CD PRO A 107 9.451 0.643 1.632 1.00 0.17 C ATOM 0 HA PRO A 107 10.424 2.997 -0.464 1.00 0.21 H new ATOM 0 HB2 PRO A 107 12.479 1.715 0.787 1.00 0.23 H new ATOM 0 HB3 PRO A 107 11.400 2.696 1.758 1.00 0.23 H new ATOM 0 HG2 PRO A 107 11.360 -0.294 1.329 1.00 0.21 H new ATOM 0 HG3 PRO A 107 11.232 0.595 2.833 1.00 0.21 H new ATOM 0 HD2 PRO A 107 9.034 -0.356 1.507 1.00 0.17 H new ATOM 0 HD3 PRO A 107 8.970 1.082 2.506 1.00 0.17 H new ATOM 789 N LYS A 108 11.763 1.789 -2.133 1.00 0.40 N ATOM 790 CA LYS A 108 12.341 1.089 -3.268 1.00 0.47 C ATOM 791 C LYS A 108 13.500 0.222 -2.814 1.00 0.50 C ATOM 792 O LYS A 108 14.124 -0.484 -3.606 1.00 0.59 O ATOM 793 CB LYS A 108 12.795 2.097 -4.301 1.00 0.62 C ATOM 794 CG LYS A 108 11.657 2.970 -4.777 1.00 0.69 C ATOM 795 CD LYS A 108 12.059 4.432 -4.766 1.00 0.99 C ATOM 796 CE LYS A 108 10.895 5.329 -5.134 1.00 0.68 C ATOM 797 NZ LYS A 108 11.350 6.607 -5.738 1.00 1.10 N ATOM 0 H LYS A 108 11.980 2.785 -2.091 1.00 0.40 H new ATOM 0 HA LYS A 108 11.589 0.439 -3.716 1.00 0.47 H new ATOM 0 HB2 LYS A 108 13.580 2.723 -3.876 1.00 0.62 H new ATOM 0 HB3 LYS A 108 13.231 1.573 -5.152 1.00 0.62 H new ATOM 0 HG2 LYS A 108 11.364 2.676 -5.785 1.00 0.69 H new ATOM 0 HG3 LYS A 108 10.787 2.823 -4.137 1.00 0.69 H new ATOM 0 HD2 LYS A 108 12.429 4.701 -3.777 1.00 0.99 H new ATOM 0 HD3 LYS A 108 12.878 4.591 -5.467 1.00 0.99 H new ATOM 0 HE2 LYS A 108 10.243 4.808 -5.835 1.00 0.68 H new ATOM 0 HE3 LYS A 108 10.303 5.539 -4.243 1.00 0.68 H new ATOM 0 HZ1 LYS A 108 10.741 6.845 -6.547 1.00 1.10 H new ATOM 0 HZ2 LYS A 108 11.295 7.365 -5.028 1.00 1.10 H new ATOM 0 HZ3 LYS A 108 12.333 6.507 -6.063 1.00 1.10 H new ATOM 811 N THR A 109 13.774 0.291 -1.525 1.00 0.47 N ATOM 812 CA THR A 109 14.801 -0.516 -0.908 1.00 0.53 C ATOM 813 C THR A 109 14.268 -1.896 -0.524 1.00 0.46 C ATOM 814 O THR A 109 15.017 -2.743 -0.033 1.00 0.53 O ATOM 815 CB THR A 109 15.352 0.194 0.326 1.00 0.62 C ATOM 816 OG1 THR A 109 14.268 0.578 1.178 1.00 0.61 O ATOM 817 CG2 THR A 109 16.144 1.425 -0.082 1.00 0.72 C ATOM 0 H THR A 109 13.287 0.911 -0.877 1.00 0.47 H new ATOM 0 HA THR A 109 15.603 -0.655 -1.634 1.00 0.53 H new ATOM 0 HB THR A 109 16.015 -0.487 0.860 1.00 0.62 H new ATOM 0 HG1 THR A 109 14.593 0.673 2.098 1.00 0.61 H new ATOM 0 HG21 THR A 109 16.530 1.921 0.809 1.00 0.72 H new ATOM 0 HG22 THR A 109 16.975 1.127 -0.721 1.00 0.72 H new ATOM 0 HG23 THR A 109 15.495 2.111 -0.626 1.00 0.72 H new ATOM 825 N VAL A 110 12.967 -2.115 -0.723 1.00 0.34 N ATOM 826 CA VAL A 110 12.400 -3.447 -0.561 1.00 0.28 C ATOM 827 C VAL A 110 12.878 -4.350 -1.688 1.00 0.25 C ATOM 828 O VAL A 110 13.362 -3.866 -2.718 1.00 0.28 O ATOM 829 CB VAL A 110 10.855 -3.466 -0.557 1.00 0.21 C ATOM 830 CG1 VAL A 110 10.283 -2.411 0.366 1.00 0.21 C ATOM 831 CG2 VAL A 110 10.302 -3.309 -1.954 1.00 0.17 C ATOM 0 H VAL A 110 12.297 -1.395 -0.993 1.00 0.34 H new ATOM 0 HA VAL A 110 12.740 -3.801 0.413 1.00 0.28 H new ATOM 0 HB VAL A 110 10.548 -4.440 -0.176 1.00 0.21 H new ATOM 0 HG11 VAL A 110 9.194 -2.457 0.341 1.00 0.21 H new ATOM 0 HG12 VAL A 110 10.630 -2.591 1.383 1.00 0.21 H new ATOM 0 HG13 VAL A 110 10.612 -1.425 0.039 1.00 0.21 H new ATOM 0 HG21 VAL A 110 9.213 -3.326 -1.918 1.00 0.17 H new ATOM 0 HG22 VAL A 110 10.636 -2.360 -2.373 1.00 0.17 H new ATOM 0 HG23 VAL A 110 10.657 -4.127 -2.580 1.00 0.17 H new ATOM 841 N SER A 111 12.776 -5.650 -1.486 1.00 0.24 N ATOM 842 CA SER A 111 13.002 -6.597 -2.561 1.00 0.22 C ATOM 843 C SER A 111 12.037 -6.278 -3.702 1.00 0.17 C ATOM 844 O SER A 111 10.903 -5.874 -3.448 1.00 0.18 O ATOM 845 CB SER A 111 12.752 -8.014 -2.054 1.00 0.27 C ATOM 846 OG SER A 111 12.868 -8.076 -0.642 1.00 0.96 O ATOM 0 H SER A 111 12.539 -6.074 -0.589 1.00 0.24 H new ATOM 0 HA SER A 111 14.031 -6.524 -2.914 1.00 0.22 H new ATOM 0 HB2 SER A 111 11.757 -8.342 -2.356 1.00 0.27 H new ATOM 0 HB3 SER A 111 13.466 -8.699 -2.512 1.00 0.27 H new ATOM 0 HG SER A 111 11.980 -8.195 -0.246 1.00 0.96 H new ATOM 852 N GLU A 112 12.462 -6.445 -4.945 1.00 0.21 N ATOM 853 CA GLU A 112 11.588 -6.148 -6.077 1.00 0.26 C ATOM 854 C GLU A 112 10.303 -6.963 -5.973 1.00 0.24 C ATOM 855 O GLU A 112 9.241 -6.514 -6.384 1.00 0.28 O ATOM 856 CB GLU A 112 12.294 -6.427 -7.403 1.00 0.35 C ATOM 857 CG GLU A 112 11.446 -6.091 -8.617 1.00 0.46 C ATOM 858 CD GLU A 112 12.172 -6.316 -9.922 1.00 0.63 C ATOM 859 OE1 GLU A 112 13.073 -7.179 -9.957 1.00 0.80 O ATOM 860 OE2 GLU A 112 11.859 -5.625 -10.915 1.00 1.03 O ATOM 0 H GLU A 112 13.392 -6.779 -5.197 1.00 0.21 H new ATOM 0 HA GLU A 112 11.337 -5.088 -6.049 1.00 0.26 H new ATOM 0 HB2 GLU A 112 13.218 -5.850 -7.443 1.00 0.35 H new ATOM 0 HB3 GLU A 112 12.573 -7.480 -7.444 1.00 0.35 H new ATOM 0 HG2 GLU A 112 10.541 -6.699 -8.601 1.00 0.46 H new ATOM 0 HG3 GLU A 112 11.132 -5.049 -8.557 1.00 0.46 H new ATOM 867 N HIS A 113 10.412 -8.152 -5.395 1.00 0.23 N ATOM 868 CA HIS A 113 9.246 -8.972 -5.079 1.00 0.27 C ATOM 869 C HIS A 113 8.273 -8.209 -4.196 1.00 0.25 C ATOM 870 O HIS A 113 7.083 -8.154 -4.469 1.00 0.41 O ATOM 871 CB HIS A 113 9.680 -10.236 -4.350 1.00 0.32 C ATOM 872 CG HIS A 113 10.292 -11.276 -5.238 1.00 0.40 C ATOM 873 ND1 HIS A 113 10.307 -12.615 -4.918 1.00 0.71 N ATOM 874 CD2 HIS A 113 10.912 -11.174 -6.437 1.00 0.46 C ATOM 875 CE1 HIS A 113 10.907 -13.288 -5.878 1.00 0.73 C ATOM 876 NE2 HIS A 113 11.284 -12.438 -6.814 1.00 0.55 N ATOM 0 H HIS A 113 11.303 -8.574 -5.133 1.00 0.23 H new ATOM 0 HA HIS A 113 8.754 -9.231 -6.016 1.00 0.27 H new ATOM 0 HB2 HIS A 113 10.398 -9.967 -3.575 1.00 0.32 H new ATOM 0 HB3 HIS A 113 8.815 -10.667 -3.847 1.00 0.32 H new ATOM 0 HD2 HIS A 113 11.082 -10.264 -6.994 1.00 0.46 H new ATOM 0 HE1 HIS A 113 11.064 -14.356 -5.896 1.00 0.73 H new ATOM 0 HE2 HIS A 113 11.772 -12.681 -7.676 1.00 0.55 H new ATOM 885 N ASP A 114 8.797 -7.607 -3.145 1.00 0.23 N ATOM 886 CA ASP A 114 7.974 -6.890 -2.183 1.00 0.26 C ATOM 887 C ASP A 114 7.445 -5.603 -2.797 1.00 0.25 C ATOM 888 O ASP A 114 6.363 -5.140 -2.451 1.00 0.33 O ATOM 889 CB ASP A 114 8.783 -6.603 -0.905 1.00 0.31 C ATOM 890 CG ASP A 114 9.124 -7.870 -0.141 1.00 1.20 C ATOM 891 OD1 ASP A 114 8.272 -8.361 0.630 1.00 1.13 O ATOM 892 OD2 ASP A 114 10.249 -8.388 -0.309 1.00 2.05 O ATOM 0 H ASP A 114 9.795 -7.599 -2.933 1.00 0.23 H new ATOM 0 HA ASP A 114 7.119 -7.511 -1.913 1.00 0.26 H new ATOM 0 HB2 ASP A 114 9.703 -6.082 -1.170 1.00 0.31 H new ATOM 0 HB3 ASP A 114 8.213 -5.935 -0.260 1.00 0.31 H new ATOM 897 N MET A 115 8.198 -5.049 -3.731 1.00 0.23 N ATOM 898 CA MET A 115 7.796 -3.818 -4.400 1.00 0.23 C ATOM 899 C MET A 115 6.760 -4.098 -5.478 1.00 0.24 C ATOM 900 O MET A 115 5.832 -3.323 -5.682 1.00 0.47 O ATOM 901 CB MET A 115 9.013 -3.126 -5.014 1.00 0.20 C ATOM 902 CG MET A 115 8.701 -1.789 -5.672 1.00 0.22 C ATOM 903 SD MET A 115 10.139 -1.060 -6.479 1.00 0.22 S ATOM 904 CE MET A 115 9.429 0.455 -7.122 1.00 1.62 C ATOM 0 H MET A 115 9.091 -5.429 -4.045 1.00 0.23 H new ATOM 0 HA MET A 115 7.349 -3.159 -3.655 1.00 0.23 H new ATOM 0 HB2 MET A 115 9.760 -2.970 -4.236 1.00 0.20 H new ATOM 0 HB3 MET A 115 9.459 -3.789 -5.756 1.00 0.20 H new ATOM 0 HG2 MET A 115 7.908 -1.926 -6.407 1.00 0.22 H new ATOM 0 HG3 MET A 115 8.322 -1.098 -4.919 1.00 0.22 H new ATOM 0 HE1 MET A 115 10.196 1.021 -7.651 1.00 1.62 H new ATOM 0 HE2 MET A 115 8.618 0.214 -7.809 1.00 1.62 H new ATOM 0 HE3 MET A 115 9.041 1.053 -6.298 1.00 1.62 H new ATOM 914 N ASP A 116 6.926 -5.200 -6.174 1.00 0.15 N ATOM 915 CA ASP A 116 5.995 -5.563 -7.229 1.00 0.18 C ATOM 916 C ASP A 116 4.827 -6.345 -6.663 1.00 0.19 C ATOM 917 O ASP A 116 3.715 -5.841 -6.597 1.00 0.24 O ATOM 918 CB ASP A 116 6.689 -6.383 -8.318 1.00 0.23 C ATOM 919 CG ASP A 116 5.749 -6.749 -9.450 1.00 0.42 C ATOM 920 OD1 ASP A 116 5.503 -5.898 -10.330 1.00 0.61 O ATOM 921 OD2 ASP A 116 5.247 -7.893 -9.465 1.00 0.64 O ATOM 0 H ASP A 116 7.691 -5.860 -6.033 1.00 0.15 H new ATOM 0 HA ASP A 116 5.623 -4.640 -7.675 1.00 0.18 H new ATOM 0 HB2 ASP A 116 7.530 -5.816 -8.716 1.00 0.23 H new ATOM 0 HB3 ASP A 116 7.098 -7.293 -7.879 1.00 0.23 H new ATOM 926 N GLN A 117 5.108 -7.554 -6.202 1.00 0.17 N ATOM 927 CA GLN A 117 4.075 -8.496 -5.790 1.00 0.18 C ATOM 928 C GLN A 117 3.192 -7.958 -4.665 1.00 0.15 C ATOM 929 O GLN A 117 2.007 -8.274 -4.609 1.00 0.17 O ATOM 930 CB GLN A 117 4.712 -9.810 -5.349 1.00 0.23 C ATOM 931 CG GLN A 117 5.446 -10.539 -6.461 1.00 0.96 C ATOM 932 CD GLN A 117 6.073 -11.832 -5.984 1.00 1.67 C ATOM 933 OE1 GLN A 117 7.221 -11.857 -5.550 1.00 2.42 O ATOM 934 NE2 GLN A 117 5.321 -12.917 -6.060 1.00 2.30 N ATOM 0 H GLN A 117 6.058 -7.911 -6.102 1.00 0.17 H new ATOM 0 HA GLN A 117 3.434 -8.656 -6.657 1.00 0.18 H new ATOM 0 HB2 GLN A 117 5.410 -9.610 -4.536 1.00 0.23 H new ATOM 0 HB3 GLN A 117 3.936 -10.463 -4.949 1.00 0.23 H new ATOM 0 HG2 GLN A 117 4.751 -10.753 -7.273 1.00 0.96 H new ATOM 0 HG3 GLN A 117 6.222 -9.890 -6.868 1.00 0.96 H new ATOM 0 HE21 GLN A 117 4.371 -12.855 -6.427 1.00 2.30 H new ATOM 0 HE22 GLN A 117 5.691 -13.816 -5.752 1.00 2.30 H new ATOM 943 N LEU A 118 3.751 -7.151 -3.769 1.00 0.14 N ATOM 944 CA LEU A 118 2.975 -6.638 -2.642 1.00 0.13 C ATOM 945 C LEU A 118 2.155 -5.413 -3.030 1.00 0.12 C ATOM 946 O LEU A 118 1.003 -5.284 -2.629 1.00 0.13 O ATOM 947 CB LEU A 118 3.870 -6.337 -1.448 1.00 0.12 C ATOM 948 CG LEU A 118 4.426 -7.577 -0.750 1.00 0.15 C ATOM 949 CD1 LEU A 118 5.414 -7.183 0.330 1.00 0.18 C ATOM 950 CD2 LEU A 118 3.301 -8.411 -0.149 1.00 0.16 C ATOM 0 H LEU A 118 4.722 -6.841 -3.798 1.00 0.14 H new ATOM 0 HA LEU A 118 2.275 -7.421 -2.351 1.00 0.13 H new ATOM 0 HB2 LEU A 118 4.703 -5.717 -1.780 1.00 0.12 H new ATOM 0 HB3 LEU A 118 3.305 -5.750 -0.724 1.00 0.12 H new ATOM 0 HG LEU A 118 4.943 -8.179 -1.497 1.00 0.15 H new ATOM 0 HD11 LEU A 118 5.799 -8.080 0.816 1.00 0.18 H new ATOM 0 HD12 LEU A 118 6.240 -6.629 -0.117 1.00 0.18 H new ATOM 0 HD13 LEU A 118 4.915 -6.556 1.069 1.00 0.18 H new ATOM 0 HD21 LEU A 118 3.721 -9.288 0.343 1.00 0.16 H new ATOM 0 HD22 LEU A 118 2.755 -7.813 0.581 1.00 0.16 H new ATOM 0 HD23 LEU A 118 2.621 -8.729 -0.940 1.00 0.16 H new ATOM 962 N LEU A 119 2.734 -4.517 -3.816 1.00 0.13 N ATOM 963 CA LEU A 119 1.971 -3.379 -4.332 1.00 0.13 C ATOM 964 C LEU A 119 0.976 -3.864 -5.371 1.00 0.13 C ATOM 965 O LEU A 119 0.008 -3.190 -5.707 1.00 0.14 O ATOM 966 CB LEU A 119 2.889 -2.322 -4.928 1.00 0.14 C ATOM 967 CG LEU A 119 3.985 -1.832 -3.988 1.00 0.11 C ATOM 968 CD1 LEU A 119 4.538 -0.519 -4.483 1.00 0.12 C ATOM 969 CD2 LEU A 119 3.472 -1.704 -2.560 1.00 0.17 C ATOM 0 H LEU A 119 3.711 -4.549 -4.109 1.00 0.13 H new ATOM 0 HA LEU A 119 1.434 -2.918 -3.503 1.00 0.13 H new ATOM 0 HB2 LEU A 119 3.354 -2.728 -5.827 1.00 0.14 H new ATOM 0 HB3 LEU A 119 2.286 -1.469 -5.238 1.00 0.14 H new ATOM 0 HG LEU A 119 4.788 -2.570 -3.980 1.00 0.11 H new ATOM 0 HD11 LEU A 119 5.320 -0.175 -3.806 1.00 0.12 H new ATOM 0 HD12 LEU A 119 4.955 -0.653 -5.481 1.00 0.12 H new ATOM 0 HD13 LEU A 119 3.739 0.222 -4.520 1.00 0.12 H new ATOM 0 HD21 LEU A 119 4.277 -1.353 -1.914 1.00 0.17 H new ATOM 0 HD22 LEU A 119 2.647 -0.992 -2.532 1.00 0.17 H new ATOM 0 HD23 LEU A 119 3.124 -2.676 -2.210 1.00 0.17 H new ATOM 981 N HIS A 120 1.238 -5.052 -5.874 1.00 0.13 N ATOM 982 CA HIS A 120 0.345 -5.715 -6.796 1.00 0.13 C ATOM 983 C HIS A 120 -0.672 -6.545 -6.028 1.00 0.13 C ATOM 984 O HIS A 120 -1.733 -6.865 -6.548 1.00 0.14 O ATOM 985 CB HIS A 120 1.150 -6.613 -7.714 1.00 0.14 C ATOM 986 CG HIS A 120 0.489 -6.934 -9.018 1.00 0.21 C ATOM 987 ND1 HIS A 120 0.854 -6.340 -10.205 1.00 0.30 N ATOM 988 CD2 HIS A 120 -0.508 -7.797 -9.326 1.00 0.25 C ATOM 989 CE1 HIS A 120 0.114 -6.822 -11.182 1.00 0.37 C ATOM 990 NE2 HIS A 120 -0.719 -7.708 -10.677 1.00 0.34 N ATOM 0 H HIS A 120 2.079 -5.585 -5.653 1.00 0.13 H new ATOM 0 HA HIS A 120 -0.184 -4.968 -7.387 1.00 0.13 H new ATOM 0 HB2 HIS A 120 2.109 -6.135 -7.917 1.00 0.14 H new ATOM 0 HB3 HIS A 120 1.363 -7.546 -7.192 1.00 0.14 H new ATOM 0 HD2 HIS A 120 -1.038 -8.436 -8.636 1.00 0.25 H new ATOM 0 HE1 HIS A 120 0.179 -6.538 -12.222 1.00 0.37 H new ATOM 0 HE2 HIS A 120 -1.409 -8.241 -11.206 1.00 0.34 H new ATOM 999 N ASP A 121 -0.331 -6.901 -4.787 1.00 0.12 N ATOM 1000 CA ASP A 121 -1.268 -7.587 -3.898 1.00 0.12 C ATOM 1001 C ASP A 121 -2.403 -6.631 -3.634 1.00 0.11 C ATOM 1002 O ASP A 121 -3.557 -7.015 -3.442 1.00 0.13 O ATOM 1003 CB ASP A 121 -0.603 -7.975 -2.570 1.00 0.14 C ATOM 1004 CG ASP A 121 -1.383 -9.035 -1.815 1.00 0.23 C ATOM 1005 OD1 ASP A 121 -1.173 -10.239 -2.090 1.00 0.42 O ATOM 1006 OD2 ASP A 121 -2.187 -8.681 -0.934 1.00 0.42 O ATOM 0 H ASP A 121 0.586 -6.725 -4.377 1.00 0.12 H new ATOM 0 HA ASP A 121 -1.615 -8.508 -4.366 1.00 0.12 H new ATOM 0 HB2 ASP A 121 0.405 -8.341 -2.766 1.00 0.14 H new ATOM 0 HB3 ASP A 121 -0.504 -7.088 -1.945 1.00 0.14 H new ATOM 1011 N ILE A 122 -2.029 -5.364 -3.653 1.00 0.10 N ATOM 1012 CA ILE A 122 -2.961 -4.267 -3.606 1.00 0.10 C ATOM 1013 C ILE A 122 -3.977 -4.396 -4.732 1.00 0.10 C ATOM 1014 O ILE A 122 -5.184 -4.425 -4.500 1.00 0.11 O ATOM 1015 CB ILE A 122 -2.204 -2.925 -3.714 1.00 0.10 C ATOM 1016 CG1 ILE A 122 -1.172 -2.852 -2.594 1.00 0.10 C ATOM 1017 CG2 ILE A 122 -3.163 -1.752 -3.667 1.00 0.11 C ATOM 1018 CD1 ILE A 122 -0.432 -1.536 -2.509 1.00 0.10 C ATOM 0 H ILE A 122 -1.053 -5.071 -3.702 1.00 0.10 H new ATOM 0 HA ILE A 122 -3.492 -4.292 -2.654 1.00 0.10 H new ATOM 0 HB ILE A 122 -1.691 -2.871 -4.674 1.00 0.10 H new ATOM 0 HG12 ILE A 122 -1.673 -3.035 -1.643 1.00 0.10 H new ATOM 0 HG13 ILE A 122 -0.447 -3.654 -2.732 1.00 0.10 H new ATOM 0 HG21 ILE A 122 -2.602 -0.820 -3.745 1.00 0.11 H new ATOM 0 HG22 ILE A 122 -3.866 -1.823 -4.497 1.00 0.11 H new ATOM 0 HG23 ILE A 122 -3.711 -1.768 -2.725 1.00 0.11 H new ATOM 0 HD11 ILE A 122 0.281 -1.572 -1.686 1.00 0.10 H new ATOM 0 HD12 ILE A 122 0.101 -1.357 -3.443 1.00 0.10 H new ATOM 0 HD13 ILE A 122 -1.144 -0.729 -2.337 1.00 0.10 H new ATOM 1030 N LEU A 123 -3.467 -4.518 -5.946 1.00 0.11 N ATOM 1031 CA LEU A 123 -4.303 -4.667 -7.133 1.00 0.12 C ATOM 1032 C LEU A 123 -5.019 -6.012 -7.139 1.00 0.13 C ATOM 1033 O LEU A 123 -6.121 -6.133 -7.666 1.00 0.14 O ATOM 1034 CB LEU A 123 -3.449 -4.526 -8.397 1.00 0.14 C ATOM 1035 CG LEU A 123 -3.208 -3.096 -8.889 1.00 0.15 C ATOM 1036 CD1 LEU A 123 -2.527 -2.258 -7.823 1.00 0.16 C ATOM 1037 CD2 LEU A 123 -2.376 -3.114 -10.159 1.00 0.20 C ATOM 0 H LEU A 123 -2.466 -4.517 -6.140 1.00 0.11 H new ATOM 0 HA LEU A 123 -5.057 -3.880 -7.115 1.00 0.12 H new ATOM 0 HB2 LEU A 123 -2.482 -4.993 -8.212 1.00 0.14 H new ATOM 0 HB3 LEU A 123 -3.927 -5.089 -9.199 1.00 0.14 H new ATOM 0 HG LEU A 123 -4.175 -2.643 -9.105 1.00 0.15 H new ATOM 0 HD11 LEU A 123 -2.369 -1.248 -8.200 1.00 0.16 H new ATOM 0 HD12 LEU A 123 -3.156 -2.219 -6.934 1.00 0.16 H new ATOM 0 HD13 LEU A 123 -1.566 -2.705 -7.568 1.00 0.16 H new ATOM 0 HD21 LEU A 123 -2.211 -2.092 -10.500 1.00 0.20 H new ATOM 0 HD22 LEU A 123 -1.416 -3.589 -9.958 1.00 0.20 H new ATOM 0 HD23 LEU A 123 -2.903 -3.674 -10.932 1.00 0.20 H new ATOM 1049 N ALA A 124 -4.387 -7.017 -6.545 1.00 0.14 N ATOM 1050 CA ALA A 124 -4.986 -8.339 -6.405 1.00 0.16 C ATOM 1051 C ALA A 124 -6.266 -8.260 -5.587 1.00 0.17 C ATOM 1052 O ALA A 124 -7.152 -9.107 -5.701 1.00 0.23 O ATOM 1053 CB ALA A 124 -4.001 -9.291 -5.746 1.00 0.17 C ATOM 0 H ALA A 124 -3.450 -6.940 -6.149 1.00 0.14 H new ATOM 0 HA ALA A 124 -5.232 -8.716 -7.398 1.00 0.16 H new ATOM 0 HB1 ALA A 124 -4.458 -10.276 -5.646 1.00 0.17 H new ATOM 0 HB2 ALA A 124 -3.103 -9.368 -6.360 1.00 0.17 H new ATOM 0 HB3 ALA A 124 -3.734 -8.913 -4.759 1.00 0.17 H new ATOM 1059 N ALA A 125 -6.353 -7.211 -4.785 1.00 0.13 N ATOM 1060 CA ALA A 125 -7.494 -6.978 -3.927 1.00 0.14 C ATOM 1061 C ALA A 125 -8.469 -6.048 -4.612 1.00 0.14 C ATOM 1062 O ALA A 125 -9.524 -5.715 -4.077 1.00 0.20 O ATOM 1063 CB ALA A 125 -7.033 -6.378 -2.617 1.00 0.15 C ATOM 0 H ALA A 125 -5.629 -6.496 -4.714 1.00 0.13 H new ATOM 0 HA ALA A 125 -7.994 -7.926 -3.726 1.00 0.14 H new ATOM 0 HB1 ALA A 125 -7.895 -6.204 -1.973 1.00 0.15 H new ATOM 0 HB2 ALA A 125 -6.345 -7.065 -2.124 1.00 0.15 H new ATOM 0 HB3 ALA A 125 -6.526 -5.432 -2.808 1.00 0.15 H new ATOM 1069 N GLY A 126 -8.093 -5.624 -5.802 1.00 0.13 N ATOM 1070 CA GLY A 126 -8.873 -4.662 -6.526 1.00 0.16 C ATOM 1071 C GLY A 126 -8.368 -3.265 -6.274 1.00 0.15 C ATOM 1072 O GLY A 126 -8.736 -2.320 -6.973 1.00 0.21 O ATOM 0 H GLY A 126 -7.249 -5.936 -6.282 1.00 0.13 H new ATOM 0 HA2 GLY A 126 -8.831 -4.882 -7.593 1.00 0.16 H new ATOM 0 HA3 GLY A 126 -9.918 -4.735 -6.226 1.00 0.16 H new ATOM 1076 N GLY A 127 -7.503 -3.156 -5.274 1.00 0.15 N ATOM 1077 CA GLY A 127 -6.963 -1.881 -4.864 1.00 0.16 C ATOM 1078 C GLY A 127 -6.207 -1.190 -5.972 1.00 0.19 C ATOM 1079 O GLY A 127 -5.639 -1.837 -6.851 1.00 0.35 O ATOM 0 H GLY A 127 -7.162 -3.949 -4.731 1.00 0.15 H new ATOM 0 HA2 GLY A 127 -7.776 -1.237 -4.527 1.00 0.16 H new ATOM 0 HA3 GLY A 127 -6.299 -2.028 -4.012 1.00 0.16 H new ATOM 1083 N VAL A 128 -6.213 0.125 -5.932 1.00 0.16 N ATOM 1084 CA VAL A 128 -5.527 0.920 -6.929 1.00 0.22 C ATOM 1085 C VAL A 128 -4.361 1.652 -6.291 1.00 0.18 C ATOM 1086 O VAL A 128 -4.395 1.946 -5.103 1.00 0.36 O ATOM 1087 CB VAL A 128 -6.478 1.933 -7.587 1.00 0.40 C ATOM 1088 CG1 VAL A 128 -7.584 1.211 -8.341 1.00 1.05 C ATOM 1089 CG2 VAL A 128 -7.062 2.873 -6.545 1.00 0.64 C ATOM 0 H VAL A 128 -6.689 0.670 -5.214 1.00 0.16 H new ATOM 0 HA VAL A 128 -5.159 0.247 -7.703 1.00 0.22 H new ATOM 0 HB VAL A 128 -5.909 2.528 -8.301 1.00 0.40 H new ATOM 0 HG11 VAL A 128 -8.248 1.943 -8.801 1.00 1.05 H new ATOM 0 HG12 VAL A 128 -7.146 0.582 -9.116 1.00 1.05 H new ATOM 0 HG13 VAL A 128 -8.152 0.590 -7.648 1.00 1.05 H new ATOM 0 HG21 VAL A 128 -7.732 3.583 -7.030 1.00 0.64 H new ATOM 0 HG22 VAL A 128 -7.617 2.296 -5.805 1.00 0.64 H new ATOM 0 HG23 VAL A 128 -6.255 3.415 -6.051 1.00 0.64 H new ATOM 1099 N VAL A 129 -3.335 1.941 -7.070 1.00 0.21 N ATOM 1100 CA VAL A 129 -2.142 2.572 -6.529 1.00 0.20 C ATOM 1101 C VAL A 129 -1.880 3.929 -7.181 1.00 0.23 C ATOM 1102 O VAL A 129 -1.754 4.035 -8.403 1.00 0.32 O ATOM 1103 CB VAL A 129 -0.902 1.660 -6.666 1.00 0.24 C ATOM 1104 CG1 VAL A 129 -1.056 0.440 -5.768 1.00 0.21 C ATOM 1105 CG2 VAL A 129 -0.682 1.235 -8.110 1.00 0.31 C ATOM 0 H VAL A 129 -3.302 1.751 -8.072 1.00 0.21 H new ATOM 0 HA VAL A 129 -2.326 2.735 -5.467 1.00 0.20 H new ATOM 0 HB VAL A 129 -0.025 2.227 -6.353 1.00 0.24 H new ATOM 0 HG11 VAL A 129 -0.179 -0.199 -5.869 1.00 0.21 H new ATOM 0 HG12 VAL A 129 -1.153 0.761 -4.731 1.00 0.21 H new ATOM 0 HG13 VAL A 129 -1.946 -0.117 -6.060 1.00 0.21 H new ATOM 0 HG21 VAL A 129 0.198 0.595 -8.171 1.00 0.31 H new ATOM 0 HG22 VAL A 129 -1.555 0.687 -8.465 1.00 0.31 H new ATOM 0 HG23 VAL A 129 -0.531 2.118 -8.730 1.00 0.31 H new ATOM 1115 N GLY A 130 -1.848 4.968 -6.358 1.00 0.35 N ATOM 1116 CA GLY A 130 -1.512 6.297 -6.834 1.00 0.36 C ATOM 1117 C GLY A 130 -0.293 6.838 -6.115 1.00 0.44 C ATOM 1118 O GLY A 130 -0.005 6.422 -5.000 1.00 0.85 O ATOM 0 H GLY A 130 -2.051 4.914 -5.360 1.00 0.35 H new ATOM 0 HA2 GLY A 130 -1.322 6.266 -7.907 1.00 0.36 H new ATOM 0 HA3 GLY A 130 -2.357 6.967 -6.679 1.00 0.36 H new ATOM 1122 N LEU A 131 0.424 7.762 -6.736 1.00 0.32 N ATOM 1123 CA LEU A 131 1.678 8.251 -6.172 1.00 0.33 C ATOM 1124 C LEU A 131 1.457 9.427 -5.227 1.00 0.32 C ATOM 1125 O LEU A 131 1.043 10.506 -5.645 1.00 0.45 O ATOM 1126 CB LEU A 131 2.660 8.652 -7.282 1.00 0.37 C ATOM 1127 CG LEU A 131 3.401 7.501 -7.982 1.00 0.46 C ATOM 1128 CD1 LEU A 131 4.189 6.674 -6.975 1.00 0.97 C ATOM 1129 CD2 LEU A 131 2.438 6.618 -8.765 1.00 1.17 C ATOM 0 H LEU A 131 0.163 8.188 -7.625 1.00 0.32 H new ATOM 0 HA LEU A 131 2.107 7.431 -5.596 1.00 0.33 H new ATOM 0 HB2 LEU A 131 2.112 9.216 -8.037 1.00 0.37 H new ATOM 0 HB3 LEU A 131 3.402 9.328 -6.856 1.00 0.37 H new ATOM 0 HG LEU A 131 4.103 7.941 -8.691 1.00 0.46 H new ATOM 0 HD11 LEU A 131 4.705 5.865 -7.493 1.00 0.97 H new ATOM 0 HD12 LEU A 131 4.920 7.309 -6.475 1.00 0.97 H new ATOM 0 HD13 LEU A 131 3.507 6.254 -6.236 1.00 0.97 H new ATOM 0 HD21 LEU A 131 2.993 5.814 -9.248 1.00 1.17 H new ATOM 0 HD22 LEU A 131 1.700 6.192 -8.085 1.00 1.17 H new ATOM 0 HD23 LEU A 131 1.931 7.215 -9.523 1.00 1.17 H new ATOM 1141 N ASP A 132 1.732 9.195 -3.952 1.00 0.24 N ATOM 1142 CA ASP A 132 1.706 10.247 -2.939 1.00 0.23 C ATOM 1143 C ASP A 132 3.099 10.778 -2.686 1.00 0.39 C ATOM 1144 O ASP A 132 3.437 11.909 -3.044 1.00 0.90 O ATOM 1145 CB ASP A 132 1.143 9.723 -1.623 1.00 0.25 C ATOM 1146 CG ASP A 132 -0.363 9.695 -1.596 1.00 0.65 C ATOM 1147 OD1 ASP A 132 -0.941 8.691 -2.039 1.00 1.06 O ATOM 1148 OD2 ASP A 132 -0.969 10.678 -1.112 1.00 0.98 O ATOM 0 H ASP A 132 1.979 8.275 -3.588 1.00 0.24 H new ATOM 0 HA ASP A 132 1.068 11.046 -3.317 1.00 0.23 H new ATOM 0 HB2 ASP A 132 1.523 8.717 -1.447 1.00 0.25 H new ATOM 0 HB3 ASP A 132 1.504 10.347 -0.806 1.00 0.25 H new ATOM 1153 N SER A 133 3.917 9.926 -2.102 1.00 0.55 N ATOM 1154 CA SER A 133 5.189 10.341 -1.558 1.00 0.69 C ATOM 1155 C SER A 133 6.277 9.317 -1.866 1.00 0.56 C ATOM 1156 O SER A 133 6.455 8.364 -1.116 1.00 0.87 O ATOM 1157 CB SER A 133 5.028 10.497 -0.044 1.00 0.95 C ATOM 1158 OG SER A 133 3.977 11.398 0.270 1.00 1.30 O ATOM 0 H SER A 133 3.718 8.932 -1.993 1.00 0.55 H new ATOM 0 HA SER A 133 5.490 11.286 -2.011 1.00 0.69 H new ATOM 0 HB2 SER A 133 4.824 9.525 0.405 1.00 0.95 H new ATOM 0 HB3 SER A 133 5.961 10.858 0.388 1.00 0.95 H new ATOM 0 HG SER A 133 4.347 12.190 0.713 1.00 1.30 H new ATOM 1164 N GLU A 134 7.003 9.504 -2.962 1.00 0.53 N ATOM 1165 CA GLU A 134 8.042 8.552 -3.335 1.00 0.56 C ATOM 1166 C GLU A 134 9.218 8.652 -2.375 1.00 0.58 C ATOM 1167 O GLU A 134 9.763 9.734 -2.165 1.00 1.01 O ATOM 1168 CB GLU A 134 8.481 8.735 -4.792 1.00 0.88 C ATOM 1169 CG GLU A 134 8.820 10.161 -5.180 1.00 0.95 C ATOM 1170 CD GLU A 134 9.205 10.275 -6.641 1.00 1.45 C ATOM 1171 OE1 GLU A 134 10.357 9.943 -6.987 1.00 1.85 O ATOM 1172 OE2 GLU A 134 8.366 10.728 -7.446 1.00 1.80 O ATOM 0 H GLU A 134 6.894 10.293 -3.599 1.00 0.53 H new ATOM 0 HA GLU A 134 7.626 7.547 -3.259 1.00 0.56 H new ATOM 0 HB2 GLU A 134 9.352 8.107 -4.976 1.00 0.88 H new ATOM 0 HB3 GLU A 134 7.685 8.375 -5.444 1.00 0.88 H new ATOM 0 HG2 GLU A 134 7.964 10.805 -4.979 1.00 0.95 H new ATOM 0 HG3 GLU A 134 9.641 10.520 -4.560 1.00 0.95 H new ATOM 1179 N VAL A 135 9.604 7.487 -1.835 1.00 0.43 N ATOM 1180 CA VAL A 135 10.472 7.364 -0.657 1.00 0.38 C ATOM 1181 C VAL A 135 10.357 8.557 0.295 1.00 0.42 C ATOM 1182 O VAL A 135 11.006 9.588 0.127 1.00 0.52 O ATOM 1183 CB VAL A 135 11.953 7.097 -1.003 1.00 0.46 C ATOM 1184 CG1 VAL A 135 12.163 5.606 -1.216 1.00 0.41 C ATOM 1185 CG2 VAL A 135 12.399 7.876 -2.230 1.00 0.62 C ATOM 0 H VAL A 135 9.315 6.585 -2.214 1.00 0.43 H new ATOM 0 HA VAL A 135 10.097 6.481 -0.140 1.00 0.38 H new ATOM 0 HB VAL A 135 12.563 7.438 -0.167 1.00 0.46 H new ATOM 0 HG11 VAL A 135 13.208 5.417 -1.460 1.00 0.41 H new ATOM 0 HG12 VAL A 135 11.900 5.068 -0.305 1.00 0.41 H new ATOM 0 HG13 VAL A 135 11.531 5.263 -2.035 1.00 0.41 H new ATOM 0 HG21 VAL A 135 13.447 7.659 -2.438 1.00 0.62 H new ATOM 0 HG22 VAL A 135 11.791 7.585 -3.087 1.00 0.62 H new ATOM 0 HG23 VAL A 135 12.279 8.944 -2.046 1.00 0.62 H new ATOM 1195 N LYS A 136 9.538 8.340 1.318 1.00 0.40 N ATOM 1196 CA LYS A 136 9.226 9.291 2.387 1.00 0.50 C ATOM 1197 C LYS A 136 9.159 10.746 1.949 1.00 0.54 C ATOM 1198 O LYS A 136 10.137 11.490 1.985 1.00 0.52 O ATOM 1199 CB LYS A 136 10.141 9.100 3.591 1.00 0.60 C ATOM 1200 CG LYS A 136 11.310 8.173 3.334 1.00 0.59 C ATOM 1201 CD LYS A 136 12.646 8.871 3.472 1.00 1.23 C ATOM 1202 CE LYS A 136 12.778 10.036 2.506 1.00 1.54 C ATOM 1203 NZ LYS A 136 14.008 10.834 2.751 1.00 1.86 N ATOM 0 H LYS A 136 9.048 7.453 1.433 1.00 0.40 H new ATOM 0 HA LYS A 136 8.207 9.050 2.689 1.00 0.50 H new ATOM 0 HB2 LYS A 136 10.523 10.072 3.902 1.00 0.60 H new ATOM 0 HB3 LYS A 136 9.555 8.707 4.422 1.00 0.60 H new ATOM 0 HG2 LYS A 136 11.267 7.337 4.032 1.00 0.59 H new ATOM 0 HG3 LYS A 136 11.224 7.755 2.331 1.00 0.59 H new ATOM 0 HD2 LYS A 136 12.764 9.231 4.494 1.00 1.23 H new ATOM 0 HD3 LYS A 136 13.449 8.157 3.292 1.00 1.23 H new ATOM 0 HE2 LYS A 136 12.790 9.658 1.484 1.00 1.54 H new ATOM 0 HE3 LYS A 136 11.904 10.682 2.597 1.00 1.54 H new ATOM 0 HZ1 LYS A 136 14.055 11.617 2.069 1.00 1.86 H new ATOM 0 HZ2 LYS A 136 13.986 11.218 3.717 1.00 1.86 H new ATOM 0 HZ3 LYS A 136 14.844 10.226 2.639 1.00 1.86 H new ATOM 1217 N LEU A 137 7.970 11.116 1.525 1.00 0.75 N ATOM 1218 CA LEU A 137 7.606 12.503 1.287 1.00 0.97 C ATOM 1219 C LEU A 137 6.357 12.799 2.128 1.00 2.07 C ATOM 1220 O LEU A 137 5.422 13.482 1.717 1.00 2.44 O ATOM 1221 CB LEU A 137 7.399 12.746 -0.230 1.00 1.16 C ATOM 1222 CG LEU A 137 6.624 14.006 -0.633 1.00 1.32 C ATOM 1223 CD1 LEU A 137 7.344 15.258 -0.156 1.00 2.13 C ATOM 1224 CD2 LEU A 137 6.417 14.045 -2.136 1.00 2.33 C ATOM 0 H LEU A 137 7.216 10.456 1.332 1.00 0.75 H new ATOM 0 HA LEU A 137 8.397 13.189 1.590 1.00 0.97 H new ATOM 0 HB2 LEU A 137 8.380 12.785 -0.704 1.00 1.16 H new ATOM 0 HB3 LEU A 137 6.880 11.882 -0.644 1.00 1.16 H new ATOM 0 HG LEU A 137 5.646 13.975 -0.153 1.00 1.32 H new ATOM 0 HD11 LEU A 137 6.776 16.140 -0.453 1.00 2.13 H new ATOM 0 HD12 LEU A 137 7.435 15.234 0.930 1.00 2.13 H new ATOM 0 HD13 LEU A 137 8.337 15.299 -0.603 1.00 2.13 H new ATOM 0 HD21 LEU A 137 5.865 14.946 -2.404 1.00 2.33 H new ATOM 0 HD22 LEU A 137 7.385 14.050 -2.637 1.00 2.33 H new ATOM 0 HD23 LEU A 137 5.852 13.167 -2.448 1.00 2.33 H new ATOM 1236 N ALA A 138 6.358 12.236 3.329 1.00 2.90 N ATOM 1237 CA ALA A 138 5.257 12.398 4.262 1.00 4.17 C ATOM 1238 C ALA A 138 5.778 12.391 5.693 1.00 4.92 C ATOM 1239 O ALA A 138 6.131 13.476 6.203 1.00 5.35 O ATOM 1240 CB ALA A 138 4.229 11.295 4.064 1.00 4.91 C ATOM 1241 OXT ALA A 138 5.856 11.300 6.294 1.00 5.38 O ATOM 0 H ALA A 138 7.120 11.657 3.681 1.00 2.90 H new ATOM 0 HA ALA A 138 4.774 13.356 4.072 1.00 4.17 H new ATOM 0 HB1 ALA A 138 3.410 11.430 4.770 1.00 4.91 H new ATOM 0 HB2 ALA A 138 3.841 11.338 3.046 1.00 4.91 H new ATOM 0 HB3 ALA A 138 4.698 10.326 4.233 1.00 4.91 H new TER 1247 ALA A 138