USER MOD reduce.3.24.130724 H: found=0, std=0, add=1086, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1086 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 65 ASN : amide:sc= -0.0806 K(o=-0.74,f=-2.3) USER MOD Set 1.2: A 69 GLN :FLIP amide:sc= -0.655 F(o=-1.9,f=-0.74) USER MOD Set 2.1: A 62 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 13 ASN : amide:sc= 0.586 K(o=0.89,f=-1.9) USER MOD Set 3.2: A 46 TYR OH : rot 180:sc= 0.306 USER MOD Set 4.1: A 9 THR OG1 : rot 75:sc= 0.894 USER MOD Set 4.2: A 42 MET CE :methyl -169:sc= -0.164 (180deg=-0.0739) USER MOD Set 5.1: A 7 GLN : amide:sc= 0.18 K(o=0.4,f=-5.8!) USER MOD Set 5.2: A 11 LYS NZ :NH3+ -171:sc= 0.222 (180deg=0) USER MOD Single : A 5 SER OG : rot 30:sc= 0.454 USER MOD Single : A 10 THR OG1 : rot 75:sc= 1.33 USER MOD Single : A 14 THR OG1 : rot -92:sc= 0.558 USER MOD Single : A 18 SER OG : rot 180:sc= 0.0641 USER MOD Single : A 19 GLN : amide:sc= 0.0624 X(o=0.062,f=-0.045) USER MOD Single : A 21 SER OG : rot -110:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -0.205 USER MOD Single : A 24 SER OG : rot 73:sc= 1.26 USER MOD Single : A 26 SER OG : rot 170:sc= -0.0318 USER MOD Single : A 27 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00311) USER MOD Single : A 32 GLN : amide:sc= -2.44 K(o=-2.4,f=-3.8) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -116:sc= -1.1 (180deg=-5.94!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc=-0.00753 K(o=-0.0075,f=-0.87) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 57 LYS NZ :NH3+ -111:sc= 1.16 (180deg=-0.0973) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.843 X(o=-0.84,f=-0.34) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.626 K(o=-0.63,f=-1.3) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.17) USER MOD Single : A 80 GLN : amide:sc= -2.5 K(o=-2.5,f=-3.2!) USER MOD Single : A 82 SER OG : rot 72:sc= 1.21 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= -2.87! C(o=-2.9!,f=-3.8!) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 171:sc= 0.283 (180deg=0.25) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.309 X(o=-0.31,f=-0.0022) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= -0.66 X(o=-0.66,f=-0.31) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ -167:sc=-0.00301 (180deg=-0.0995) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 ASN : amide:sc= 0.49 X(o=0.49,f=0) USER MOD Single : A 130 SER OG : rot 85:sc= 0.661 USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 5 1.624 -6.892 1.659 1.00 4.50 N ATOM 43 CA SER A 5 1.103 -6.687 3.005 1.00 35.42 C ATOM 44 C SER A 5 0.871 -8.023 3.706 1.00 2.54 C ATOM 45 O SER A 5 0.915 -8.107 4.933 1.00 4.32 O ATOM 46 CB SER A 5 -0.204 -5.892 2.954 1.00 64.54 C ATOM 47 OG SER A 5 -0.159 -4.904 1.939 1.00 75.42 O ATOM 0 HA SER A 5 1.842 -6.121 3.572 1.00 35.42 H new ATOM 0 HB2 SER A 5 -1.038 -6.569 2.771 1.00 64.54 H new ATOM 0 HB3 SER A 5 -0.384 -5.419 3.919 1.00 64.54 H new ATOM 0 HG SER A 5 0.425 -5.207 1.213 1.00 75.42 H new ATOM 53 N GLU A 6 0.624 -9.063 2.917 1.00 23.41 N ATOM 54 CA GLU A 6 0.385 -10.395 3.462 1.00 50.40 C ATOM 55 C GLU A 6 1.623 -10.917 4.186 1.00 53.30 C ATOM 56 O GLU A 6 1.516 -11.656 5.164 1.00 52.00 O ATOM 57 CB GLU A 6 -0.013 -11.363 2.346 1.00 41.21 C ATOM 58 CG GLU A 6 -0.181 -12.798 2.816 1.00 11.23 C ATOM 59 CD GLU A 6 -1.015 -13.631 1.862 1.00 1.50 C ATOM 60 OE1 GLU A 6 -1.942 -13.070 1.241 1.00 42.43 O ATOM 61 OE2 GLU A 6 -0.741 -14.842 1.737 1.00 70.34 O ATOM 0 H GLU A 6 0.584 -9.010 1.899 1.00 23.41 H new ATOM 0 HA GLU A 6 -0.432 -10.325 4.180 1.00 50.40 H new ATOM 0 HB2 GLU A 6 -0.948 -11.024 1.899 1.00 41.21 H new ATOM 0 HB3 GLU A 6 0.744 -11.332 1.563 1.00 41.21 H new ATOM 0 HG2 GLU A 6 0.801 -13.257 2.929 1.00 11.23 H new ATOM 0 HG3 GLU A 6 -0.650 -12.801 3.800 1.00 11.23 H new ATOM 68 N GLN A 7 2.795 -10.527 3.697 1.00 5.41 N ATOM 69 CA GLN A 7 4.053 -10.956 4.297 1.00 63.35 C ATOM 70 C GLN A 7 4.232 -10.346 5.683 1.00 61.21 C ATOM 71 O GLN A 7 4.539 -11.048 6.646 1.00 23.44 O ATOM 72 CB GLN A 7 5.229 -10.567 3.399 1.00 5.34 C ATOM 73 CG GLN A 7 5.773 -11.721 2.573 1.00 31.22 C ATOM 74 CD GLN A 7 6.666 -12.645 3.378 1.00 42.23 C ATOM 75 OE1 GLN A 7 7.275 -12.233 4.366 1.00 35.41 O ATOM 76 NE2 GLN A 7 6.750 -13.902 2.958 1.00 50.23 N ATOM 0 H GLN A 7 2.900 -9.915 2.888 1.00 5.41 H new ATOM 0 HA GLN A 7 4.026 -12.041 4.399 1.00 63.35 H new ATOM 0 HB2 GLN A 7 4.914 -9.768 2.728 1.00 5.34 H new ATOM 0 HB3 GLN A 7 6.031 -10.165 4.019 1.00 5.34 H new ATOM 0 HG2 GLN A 7 4.941 -12.293 2.162 1.00 31.22 H new ATOM 0 HG3 GLN A 7 6.335 -11.324 1.728 1.00 31.22 H new ATOM 0 HE21 GLN A 7 6.228 -14.200 2.134 1.00 50.23 H new ATOM 0 HE22 GLN A 7 7.337 -14.569 3.459 1.00 50.23 H new ATOM 85 N PHE A 8 4.038 -9.035 5.776 1.00 2.13 N ATOM 86 CA PHE A 8 4.179 -8.330 7.045 1.00 44.31 C ATOM 87 C PHE A 8 3.239 -8.909 8.097 1.00 33.51 C ATOM 88 O PHE A 8 3.623 -9.106 9.250 1.00 21.34 O ATOM 89 CB PHE A 8 3.896 -6.838 6.858 1.00 40.23 C ATOM 90 CG PHE A 8 4.171 -6.017 8.085 1.00 50.20 C ATOM 91 CD1 PHE A 8 5.449 -5.945 8.614 1.00 4.23 C ATOM 92 CD2 PHE A 8 3.151 -5.316 8.709 1.00 62.51 C ATOM 93 CE1 PHE A 8 5.705 -5.191 9.744 1.00 12.30 C ATOM 94 CE2 PHE A 8 3.401 -4.560 9.839 1.00 73.23 C ATOM 95 CZ PHE A 8 4.680 -4.497 10.356 1.00 15.42 C ATOM 0 H PHE A 8 3.783 -8.439 4.988 1.00 2.13 H new ATOM 0 HA PHE A 8 5.205 -8.458 7.390 1.00 44.31 H new ATOM 0 HB2 PHE A 8 4.504 -6.462 6.035 1.00 40.23 H new ATOM 0 HB3 PHE A 8 2.853 -6.708 6.570 1.00 40.23 H new ATOM 0 HD1 PHE A 8 6.255 -6.484 8.138 1.00 4.23 H new ATOM 0 HD2 PHE A 8 2.149 -5.361 8.308 1.00 62.51 H new ATOM 0 HE1 PHE A 8 6.706 -5.145 10.148 1.00 12.30 H new ATOM 0 HE2 PHE A 8 2.597 -4.019 10.317 1.00 73.23 H new ATOM 0 HZ PHE A 8 4.878 -3.906 11.238 1.00 15.42 H new ATOM 105 N THR A 9 2.002 -9.181 7.692 1.00 50.15 N ATOM 106 CA THR A 9 1.005 -9.736 8.598 1.00 71.11 C ATOM 107 C THR A 9 1.312 -11.192 8.928 1.00 71.43 C ATOM 108 O THR A 9 1.387 -11.573 10.096 1.00 30.34 O ATOM 109 CB THR A 9 -0.411 -9.645 7.999 1.00 14.32 C ATOM 110 OG1 THR A 9 -0.528 -8.466 7.194 1.00 21.32 O ATOM 111 CG2 THR A 9 -1.463 -9.620 9.098 1.00 21.32 C ATOM 0 H THR A 9 1.667 -9.025 6.741 1.00 50.15 H new ATOM 0 HA THR A 9 1.044 -9.143 9.512 1.00 71.11 H new ATOM 0 HB THR A 9 -0.576 -10.526 7.379 1.00 14.32 H new ATOM 0 HG1 THR A 9 -0.049 -8.598 6.349 1.00 21.32 H new ATOM 0 HG21 THR A 9 -2.455 -9.555 8.651 1.00 21.32 H new ATOM 0 HG22 THR A 9 -1.391 -10.532 9.691 1.00 21.32 H new ATOM 0 HG23 THR A 9 -1.298 -8.755 9.740 1.00 21.32 H new ATOM 119 N THR A 10 1.490 -12.005 7.890 1.00 12.42 N ATOM 120 CA THR A 10 1.788 -13.420 8.070 1.00 44.32 C ATOM 121 C THR A 10 3.044 -13.614 8.912 1.00 32.15 C ATOM 122 O THR A 10 3.156 -14.582 9.665 1.00 75.11 O ATOM 123 CB THR A 10 1.977 -14.130 6.716 1.00 24.22 C ATOM 124 OG1 THR A 10 0.778 -14.033 5.940 1.00 32.34 O ATOM 125 CG2 THR A 10 2.339 -15.594 6.919 1.00 3.31 C ATOM 0 H THR A 10 1.433 -11.707 6.916 1.00 12.42 H new ATOM 0 HA THR A 10 0.935 -13.860 8.587 1.00 44.32 H new ATOM 0 HB THR A 10 2.793 -13.640 6.185 1.00 24.22 H new ATOM 0 HG1 THR A 10 0.690 -13.124 5.585 1.00 32.34 H new ATOM 0 HG21 THR A 10 2.467 -16.075 5.949 1.00 3.31 H new ATOM 0 HG22 THR A 10 3.268 -15.664 7.485 1.00 3.31 H new ATOM 0 HG23 THR A 10 1.541 -16.093 7.469 1.00 3.31 H new ATOM 133 N LYS A 11 3.987 -12.688 8.782 1.00 3.45 N ATOM 134 CA LYS A 11 5.235 -12.755 9.533 1.00 22.15 C ATOM 135 C LYS A 11 5.018 -12.348 10.987 1.00 30.04 C ATOM 136 O LYS A 11 5.437 -13.050 11.909 1.00 61.14 O ATOM 137 CB LYS A 11 6.290 -11.851 8.892 1.00 41.02 C ATOM 138 CG LYS A 11 6.945 -12.458 7.663 1.00 53.53 C ATOM 139 CD LYS A 11 7.880 -13.597 8.034 1.00 54.54 C ATOM 140 CE LYS A 11 8.890 -13.870 6.930 1.00 20.12 C ATOM 141 NZ LYS A 11 8.291 -14.648 5.810 1.00 4.13 N ATOM 0 H LYS A 11 3.911 -11.881 8.163 1.00 3.45 H new ATOM 0 HA LYS A 11 5.587 -13.786 9.511 1.00 22.15 H new ATOM 0 HB2 LYS A 11 5.826 -10.904 8.616 1.00 41.02 H new ATOM 0 HB3 LYS A 11 7.060 -11.625 9.630 1.00 41.02 H new ATOM 0 HG2 LYS A 11 6.176 -12.824 6.983 1.00 53.53 H new ATOM 0 HG3 LYS A 11 7.502 -11.688 7.129 1.00 53.53 H new ATOM 0 HD2 LYS A 11 8.405 -13.352 8.957 1.00 54.54 H new ATOM 0 HD3 LYS A 11 7.298 -14.498 8.228 1.00 54.54 H new ATOM 0 HE2 LYS A 11 9.276 -12.925 6.549 1.00 20.12 H new ATOM 0 HE3 LYS A 11 9.738 -14.419 7.341 1.00 20.12 H new ATOM 0 HZ1 LYS A 11 9.041 -14.944 5.153 1.00 4.13 H new ATOM 0 HZ2 LYS A 11 7.811 -15.489 6.189 1.00 4.13 H new ATOM 0 HZ3 LYS A 11 7.603 -14.055 5.304 1.00 4.13 H new ATOM 155 N LEU A 12 4.360 -11.211 11.187 1.00 72.54 N ATOM 156 CA LEU A 12 4.085 -10.712 12.529 1.00 2.43 C ATOM 157 C LEU A 12 3.414 -11.783 13.383 1.00 63.23 C ATOM 158 O LEU A 12 3.658 -11.876 14.585 1.00 41.31 O ATOM 159 CB LEU A 12 3.197 -9.468 12.460 1.00 34.42 C ATOM 160 CG LEU A 12 3.913 -8.146 12.187 1.00 43.51 C ATOM 161 CD1 LEU A 12 2.919 -7.080 11.751 1.00 24.04 C ATOM 162 CD2 LEU A 12 4.680 -7.690 13.420 1.00 44.03 C ATOM 0 H LEU A 12 4.007 -10.618 10.436 1.00 72.54 H new ATOM 0 HA LEU A 12 5.035 -10.448 12.993 1.00 2.43 H new ATOM 0 HB2 LEU A 12 2.451 -9.622 11.680 1.00 34.42 H new ATOM 0 HB3 LEU A 12 2.658 -9.378 13.403 1.00 34.42 H new ATOM 0 HG LEU A 12 4.626 -8.302 11.377 1.00 43.51 H new ATOM 0 HD11 LEU A 12 3.447 -6.146 11.561 1.00 24.04 H new ATOM 0 HD12 LEU A 12 2.415 -7.403 10.840 1.00 24.04 H new ATOM 0 HD13 LEU A 12 2.182 -6.926 12.539 1.00 24.04 H new ATOM 0 HD21 LEU A 12 5.184 -6.747 13.207 1.00 44.03 H new ATOM 0 HD22 LEU A 12 3.986 -7.552 14.249 1.00 44.03 H new ATOM 0 HD23 LEU A 12 5.420 -8.444 13.688 1.00 44.03 H new ATOM 174 N ASN A 13 2.570 -12.592 12.751 1.00 32.33 N ATOM 175 CA ASN A 13 1.865 -13.659 13.453 1.00 71.24 C ATOM 176 C ASN A 13 2.777 -14.863 13.670 1.00 2.42 C ATOM 177 O ASN A 13 2.651 -15.581 14.663 1.00 41.42 O ATOM 178 CB ASN A 13 0.623 -14.082 12.665 1.00 64.23 C ATOM 179 CG ASN A 13 -0.574 -13.197 12.953 1.00 43.21 C ATOM 180 OD1 ASN A 13 -0.948 -12.996 14.109 1.00 64.34 O ATOM 181 ND2 ASN A 13 -1.181 -12.662 11.900 1.00 72.41 N ATOM 0 H ASN A 13 2.358 -12.529 11.755 1.00 32.33 H new ATOM 0 HA ASN A 13 1.558 -13.278 14.427 1.00 71.24 H new ATOM 0 HB2 ASN A 13 0.845 -14.052 11.598 1.00 64.23 H new ATOM 0 HB3 ASN A 13 0.375 -15.115 12.910 1.00 64.23 H new ATOM 0 HD21 ASN A 13 -1.992 -12.057 12.031 1.00 72.41 H new ATOM 0 HD22 ASN A 13 -0.837 -12.856 10.960 1.00 72.41 H new ATOM 188 N THR A 14 3.698 -15.077 12.735 1.00 33.33 N ATOM 189 CA THR A 14 4.631 -16.193 12.824 1.00 61.13 C ATOM 190 C THR A 14 5.963 -15.750 13.419 1.00 34.33 C ATOM 191 O THR A 14 6.987 -16.410 13.236 1.00 54.23 O ATOM 192 CB THR A 14 4.884 -16.824 11.442 1.00 64.53 C ATOM 193 OG1 THR A 14 5.366 -15.831 10.530 1.00 52.20 O ATOM 194 CG2 THR A 14 3.612 -17.451 10.892 1.00 41.05 C ATOM 0 H THR A 14 3.817 -14.492 11.908 1.00 33.33 H new ATOM 0 HA THR A 14 4.174 -16.936 13.477 1.00 61.13 H new ATOM 0 HB THR A 14 5.635 -17.606 11.557 1.00 64.53 H new ATOM 0 HG1 THR A 14 4.610 -15.436 10.047 1.00 52.20 H new ATOM 0 HG21 THR A 14 3.816 -17.890 9.915 1.00 41.05 H new ATOM 0 HG22 THR A 14 3.265 -18.227 11.574 1.00 41.05 H new ATOM 0 HG23 THR A 14 2.843 -16.685 10.792 1.00 41.05 H new ATOM 202 N LEU A 15 5.942 -14.631 14.134 1.00 44.42 N ATOM 203 CA LEU A 15 7.149 -14.099 14.758 1.00 63.50 C ATOM 204 C LEU A 15 7.478 -14.858 16.040 1.00 64.13 C ATOM 205 O LEU A 15 6.598 -15.447 16.667 1.00 44.15 O ATOM 206 CB LEU A 15 6.976 -12.611 15.063 1.00 4.52 C ATOM 207 CG LEU A 15 7.546 -11.642 14.026 1.00 72.22 C ATOM 208 CD1 LEU A 15 7.211 -10.206 14.396 1.00 55.31 C ATOM 209 CD2 LEU A 15 9.051 -11.824 13.896 1.00 20.02 C ATOM 0 H LEU A 15 5.103 -14.074 14.296 1.00 44.42 H new ATOM 0 HA LEU A 15 7.976 -14.226 14.059 1.00 63.50 H new ATOM 0 HB2 LEU A 15 5.912 -12.405 15.176 1.00 4.52 H new ATOM 0 HB3 LEU A 15 7.446 -12.401 16.024 1.00 4.52 H new ATOM 0 HG LEU A 15 7.089 -11.863 13.061 1.00 72.22 H new ATOM 0 HD11 LEU A 15 7.625 -9.531 13.647 1.00 55.31 H new ATOM 0 HD12 LEU A 15 6.129 -10.084 14.436 1.00 55.31 H new ATOM 0 HD13 LEU A 15 7.639 -9.972 15.371 1.00 55.31 H new ATOM 0 HD21 LEU A 15 9.439 -11.126 13.154 1.00 20.02 H new ATOM 0 HD22 LEU A 15 9.525 -11.631 14.858 1.00 20.02 H new ATOM 0 HD23 LEU A 15 9.268 -12.845 13.583 1.00 20.02 H new ATOM 221 N GLU A 16 8.751 -14.837 16.424 1.00 60.04 N ATOM 222 CA GLU A 16 9.195 -15.522 17.632 1.00 61.12 C ATOM 223 C GLU A 16 10.210 -14.676 18.395 1.00 64.21 C ATOM 224 O GLU A 16 10.709 -13.674 17.883 1.00 42.12 O ATOM 225 CB GLU A 16 9.808 -16.879 17.279 1.00 31.23 C ATOM 226 CG GLU A 16 10.799 -16.819 16.129 1.00 73.31 C ATOM 227 CD GLU A 16 11.445 -18.161 15.845 1.00 22.33 C ATOM 228 OE1 GLU A 16 10.742 -19.067 15.351 1.00 13.13 O ATOM 229 OE2 GLU A 16 12.656 -18.305 16.117 1.00 34.34 O ATOM 0 H GLU A 16 9.492 -14.353 15.916 1.00 60.04 H new ATOM 0 HA GLU A 16 8.326 -15.679 18.271 1.00 61.12 H new ATOM 0 HB2 GLU A 16 10.310 -17.281 18.159 1.00 31.23 H new ATOM 0 HB3 GLU A 16 9.008 -17.574 17.022 1.00 31.23 H new ATOM 0 HG2 GLU A 16 10.288 -16.469 15.232 1.00 73.31 H new ATOM 0 HG3 GLU A 16 11.574 -16.088 16.360 1.00 73.31 H new ATOM 236 N ASP A 17 10.511 -15.087 19.622 1.00 75.10 N ATOM 237 CA ASP A 17 11.466 -14.368 20.457 1.00 62.43 C ATOM 238 C ASP A 17 12.888 -14.860 20.201 1.00 13.54 C ATOM 239 O ASP A 17 13.388 -15.737 20.905 1.00 74.21 O ATOM 240 CB ASP A 17 11.113 -14.537 21.935 1.00 32.41 C ATOM 241 CG ASP A 17 12.051 -13.771 22.846 1.00 4.10 C ATOM 242 OD1 ASP A 17 11.860 -12.546 23.001 1.00 64.33 O ATOM 243 OD2 ASP A 17 12.977 -14.396 23.405 1.00 14.21 O ATOM 0 H ASP A 17 10.107 -15.915 20.061 1.00 75.10 H new ATOM 0 HA ASP A 17 11.414 -13.310 20.199 1.00 62.43 H new ATOM 0 HB2 ASP A 17 10.091 -14.197 22.102 1.00 32.41 H new ATOM 0 HB3 ASP A 17 11.144 -15.595 22.194 1.00 32.41 H new ATOM 248 N SER A 18 13.533 -14.288 19.190 1.00 61.04 N ATOM 249 CA SER A 18 14.896 -14.671 18.838 1.00 35.10 C ATOM 250 C SER A 18 15.648 -13.496 18.221 1.00 22.11 C ATOM 251 O SER A 18 15.107 -12.766 17.391 1.00 32.33 O ATOM 252 CB SER A 18 14.881 -15.850 17.863 1.00 31.35 C ATOM 253 OG SER A 18 16.018 -15.827 17.018 1.00 73.22 O ATOM 0 H SER A 18 13.134 -13.558 18.600 1.00 61.04 H new ATOM 0 HA SER A 18 15.411 -14.970 19.751 1.00 35.10 H new ATOM 0 HB2 SER A 18 14.857 -16.787 18.420 1.00 31.35 H new ATOM 0 HB3 SER A 18 13.974 -15.815 17.259 1.00 31.35 H new ATOM 0 HG SER A 18 15.986 -16.591 16.405 1.00 73.22 H new ATOM 259 N GLN A 19 16.899 -13.321 18.634 1.00 45.05 N ATOM 260 CA GLN A 19 17.727 -12.235 18.122 1.00 13.53 C ATOM 261 C GLN A 19 17.750 -12.240 16.597 1.00 5.54 C ATOM 262 O GLN A 19 17.729 -11.185 15.964 1.00 1.20 O ATOM 263 CB GLN A 19 19.151 -12.351 18.667 1.00 45.53 C ATOM 264 CG GLN A 19 20.067 -11.221 18.221 1.00 32.44 C ATOM 265 CD GLN A 19 19.584 -9.861 18.686 1.00 61.44 C ATOM 266 OE1 GLN A 19 19.767 -9.487 19.844 1.00 4.12 O ATOM 267 NE2 GLN A 19 18.963 -9.113 17.781 1.00 20.04 N ATOM 0 H GLN A 19 17.361 -13.917 19.321 1.00 45.05 H new ATOM 0 HA GLN A 19 17.294 -11.292 18.457 1.00 13.53 H new ATOM 0 HB2 GLN A 19 19.114 -12.369 19.756 1.00 45.53 H new ATOM 0 HB3 GLN A 19 19.578 -13.301 18.347 1.00 45.53 H new ATOM 0 HG2 GLN A 19 21.071 -11.398 18.608 1.00 32.44 H new ATOM 0 HG3 GLN A 19 20.139 -11.225 17.133 1.00 32.44 H new ATOM 0 HE21 GLN A 19 18.833 -9.463 16.832 1.00 20.04 H new ATOM 0 HE22 GLN A 19 18.616 -8.188 18.035 1.00 20.04 H new ATOM 276 N GLU A 20 17.795 -13.434 16.015 1.00 41.30 N ATOM 277 CA GLU A 20 17.823 -13.575 14.564 1.00 40.41 C ATOM 278 C GLU A 20 16.443 -13.315 13.965 1.00 5.14 C ATOM 279 O GLU A 20 16.324 -12.787 12.860 1.00 1.50 O ATOM 280 CB GLU A 20 18.305 -14.974 14.174 1.00 11.42 C ATOM 281 CG GLU A 20 19.695 -15.305 14.692 1.00 53.34 C ATOM 282 CD GLU A 20 20.138 -16.706 14.319 1.00 75.15 C ATOM 283 OE1 GLU A 20 20.664 -16.885 13.201 1.00 43.34 O ATOM 284 OE2 GLU A 20 19.957 -17.624 15.146 1.00 61.44 O ATOM 0 H GLU A 20 17.813 -14.317 16.525 1.00 41.30 H new ATOM 0 HA GLU A 20 18.518 -12.835 14.166 1.00 40.41 H new ATOM 0 HB2 GLU A 20 17.599 -15.712 14.555 1.00 11.42 H new ATOM 0 HB3 GLU A 20 18.301 -15.061 13.087 1.00 11.42 H new ATOM 0 HG2 GLU A 20 20.409 -14.584 14.293 1.00 53.34 H new ATOM 0 HG3 GLU A 20 19.709 -15.200 15.777 1.00 53.34 H new ATOM 291 N SER A 21 15.404 -13.691 14.704 1.00 42.12 N ATOM 292 CA SER A 21 14.033 -13.503 14.245 1.00 32.32 C ATOM 293 C SER A 21 13.716 -12.021 14.071 1.00 2.03 C ATOM 294 O SER A 21 13.208 -11.602 13.031 1.00 14.22 O ATOM 295 CB SER A 21 13.051 -14.134 15.235 1.00 51.52 C ATOM 296 OG SER A 21 11.716 -14.011 14.776 1.00 33.42 O ATOM 0 H SER A 21 15.486 -14.127 15.622 1.00 42.12 H new ATOM 0 HA SER A 21 13.929 -13.994 13.277 1.00 32.32 H new ATOM 0 HB2 SER A 21 13.296 -15.187 15.374 1.00 51.52 H new ATOM 0 HB3 SER A 21 13.150 -13.653 16.208 1.00 51.52 H new ATOM 0 HG SER A 21 11.233 -13.374 15.342 1.00 33.42 H new ATOM 302 N ILE A 22 14.021 -11.233 15.097 1.00 34.31 N ATOM 303 CA ILE A 22 13.770 -9.798 15.058 1.00 11.11 C ATOM 304 C ILE A 22 14.517 -9.141 13.903 1.00 52.44 C ATOM 305 O ILE A 22 13.986 -8.257 13.230 1.00 43.23 O ATOM 306 CB ILE A 22 14.185 -9.118 16.376 1.00 2.11 C ATOM 307 CG1 ILE A 22 13.466 -9.768 17.560 1.00 61.33 C ATOM 308 CG2 ILE A 22 13.885 -7.628 16.321 1.00 55.53 C ATOM 309 CD1 ILE A 22 11.964 -9.596 17.523 1.00 73.13 C ATOM 0 H ILE A 22 14.442 -11.564 15.965 1.00 34.31 H new ATOM 0 HA ILE A 22 12.697 -9.669 14.914 1.00 11.11 H new ATOM 0 HB ILE A 22 15.259 -9.248 16.511 1.00 2.11 H new ATOM 0 HG12 ILE A 22 13.701 -10.832 17.578 1.00 61.33 H new ATOM 0 HG13 ILE A 22 13.850 -9.341 18.487 1.00 61.33 H new ATOM 0 HG21 ILE A 22 14.184 -7.162 17.260 1.00 55.53 H new ATOM 0 HG22 ILE A 22 14.439 -7.175 15.499 1.00 55.53 H new ATOM 0 HG23 ILE A 22 12.817 -7.477 16.165 1.00 55.53 H new ATOM 0 HD11 ILE A 22 11.521 -10.082 18.392 1.00 73.13 H new ATOM 0 HD12 ILE A 22 11.719 -8.534 17.536 1.00 73.13 H new ATOM 0 HD13 ILE A 22 11.568 -10.048 16.614 1.00 73.13 H new ATOM 321 N SER A 23 15.751 -9.579 13.677 1.00 60.51 N ATOM 322 CA SER A 23 16.573 -9.032 12.603 1.00 35.55 C ATOM 323 C SER A 23 16.079 -9.514 11.243 1.00 63.45 C ATOM 324 O SER A 23 16.187 -8.803 10.243 1.00 23.45 O ATOM 325 CB SER A 23 18.036 -9.432 12.799 1.00 44.02 C ATOM 326 OG SER A 23 18.905 -8.518 12.152 1.00 21.10 O ATOM 0 H SER A 23 16.204 -10.311 14.223 1.00 60.51 H new ATOM 0 HA SER A 23 16.494 -7.945 12.634 1.00 35.55 H new ATOM 0 HB2 SER A 23 18.267 -9.467 13.864 1.00 44.02 H new ATOM 0 HB3 SER A 23 18.198 -10.435 12.404 1.00 44.02 H new ATOM 0 HG SER A 23 19.835 -8.794 12.293 1.00 21.10 H new ATOM 332 N SER A 24 15.537 -10.728 11.212 1.00 4.32 N ATOM 333 CA SER A 24 15.030 -11.308 9.974 1.00 5.31 C ATOM 334 C SER A 24 13.929 -10.437 9.378 1.00 75.34 C ATOM 335 O SER A 24 13.961 -10.100 8.195 1.00 42.52 O ATOM 336 CB SER A 24 14.499 -12.720 10.228 1.00 45.04 C ATOM 337 OG SER A 24 15.562 -13.638 10.418 1.00 42.12 O ATOM 0 H SER A 24 15.438 -11.329 12.030 1.00 4.32 H new ATOM 0 HA SER A 24 15.853 -11.360 9.261 1.00 5.31 H new ATOM 0 HB2 SER A 24 13.855 -12.717 11.108 1.00 45.04 H new ATOM 0 HB3 SER A 24 13.886 -13.038 9.385 1.00 45.04 H new ATOM 0 HG SER A 24 15.971 -13.487 11.296 1.00 42.12 H new ATOM 343 N ALA A 25 12.953 -10.078 10.206 1.00 5.11 N ATOM 344 CA ALA A 25 11.842 -9.246 9.763 1.00 42.54 C ATOM 345 C ALA A 25 12.284 -7.799 9.566 1.00 60.44 C ATOM 346 O ALA A 25 11.864 -7.135 8.618 1.00 34.41 O ATOM 347 CB ALA A 25 10.697 -9.318 10.762 1.00 71.15 C ATOM 0 H ALA A 25 12.910 -10.351 11.188 1.00 5.11 H new ATOM 0 HA ALA A 25 11.496 -9.627 8.802 1.00 42.54 H new ATOM 0 HB1 ALA A 25 9.874 -8.692 10.418 1.00 71.15 H new ATOM 0 HB2 ALA A 25 10.356 -10.349 10.850 1.00 71.15 H new ATOM 0 HB3 ALA A 25 11.040 -8.965 11.734 1.00 71.15 H new ATOM 353 N SER A 26 13.134 -7.317 10.467 1.00 74.02 N ATOM 354 CA SER A 26 13.629 -5.947 10.394 1.00 31.43 C ATOM 355 C SER A 26 14.284 -5.677 9.043 1.00 32.41 C ATOM 356 O SER A 26 14.034 -4.650 8.413 1.00 42.42 O ATOM 357 CB SER A 26 14.630 -5.684 11.521 1.00 61.32 C ATOM 358 OG SER A 26 15.043 -4.329 11.530 1.00 50.22 O ATOM 0 H SER A 26 13.494 -7.854 11.256 1.00 74.02 H new ATOM 0 HA SER A 26 12.780 -5.273 10.507 1.00 31.43 H new ATOM 0 HB2 SER A 26 14.177 -5.936 12.480 1.00 61.32 H new ATOM 0 HB3 SER A 26 15.498 -6.331 11.399 1.00 61.32 H new ATOM 0 HG SER A 26 15.554 -4.148 12.346 1.00 50.22 H new ATOM 364 N LYS A 27 15.124 -6.608 8.604 1.00 60.25 N ATOM 365 CA LYS A 27 15.816 -6.474 7.327 1.00 54.01 C ATOM 366 C LYS A 27 14.822 -6.263 6.189 1.00 33.12 C ATOM 367 O LYS A 27 15.023 -5.408 5.327 1.00 3.33 O ATOM 368 CB LYS A 27 16.666 -7.716 7.051 1.00 5.24 C ATOM 369 CG LYS A 27 17.907 -7.809 7.923 1.00 12.11 C ATOM 370 CD LYS A 27 18.341 -9.251 8.123 1.00 70.31 C ATOM 371 CE LYS A 27 19.615 -9.340 8.949 1.00 62.53 C ATOM 372 NZ LYS A 27 20.816 -8.947 8.160 1.00 13.45 N ATOM 0 H LYS A 27 15.342 -7.464 9.114 1.00 60.25 H new ATOM 0 HA LYS A 27 16.467 -5.601 7.385 1.00 54.01 H new ATOM 0 HB2 LYS A 27 16.056 -8.606 7.206 1.00 5.24 H new ATOM 0 HB3 LYS A 27 16.967 -7.715 6.003 1.00 5.24 H new ATOM 0 HG2 LYS A 27 18.718 -7.244 7.464 1.00 12.11 H new ATOM 0 HG3 LYS A 27 17.707 -7.350 8.892 1.00 12.11 H new ATOM 0 HD2 LYS A 27 17.545 -9.806 8.619 1.00 70.31 H new ATOM 0 HD3 LYS A 27 18.501 -9.722 7.153 1.00 70.31 H new ATOM 0 HE2 LYS A 27 19.527 -8.694 9.823 1.00 62.53 H new ATOM 0 HE3 LYS A 27 19.739 -10.359 9.317 1.00 62.53 H new ATOM 0 HZ1 LYS A 27 21.667 -9.053 8.748 1.00 13.45 H new ATOM 0 HZ2 LYS A 27 20.895 -9.557 7.322 1.00 13.45 H new ATOM 0 HZ3 LYS A 27 20.725 -7.956 7.859 1.00 13.45 H new ATOM 386 N TRP A 28 13.749 -7.047 6.194 1.00 4.52 N ATOM 387 CA TRP A 28 12.723 -6.944 5.163 1.00 43.24 C ATOM 388 C TRP A 28 12.039 -5.582 5.209 1.00 21.11 C ATOM 389 O TRP A 28 11.883 -4.919 4.183 1.00 60.34 O ATOM 390 CB TRP A 28 11.687 -8.055 5.333 1.00 34.51 C ATOM 391 CG TRP A 28 10.667 -8.090 4.235 1.00 14.24 C ATOM 392 CD1 TRP A 28 10.899 -8.307 2.907 1.00 32.54 C ATOM 393 CD2 TRP A 28 9.254 -7.899 4.372 1.00 43.42 C ATOM 394 NE1 TRP A 28 9.716 -8.263 2.210 1.00 72.12 N ATOM 395 CE2 TRP A 28 8.692 -8.015 3.085 1.00 1.34 C ATOM 396 CE3 TRP A 28 8.410 -7.643 5.455 1.00 14.13 C ATOM 397 CZ2 TRP A 28 7.325 -7.882 2.856 1.00 22.21 C ATOM 398 CZ3 TRP A 28 7.053 -7.511 5.226 1.00 63.41 C ATOM 399 CH2 TRP A 28 6.522 -7.632 3.935 1.00 13.11 C ATOM 0 H TRP A 28 13.567 -7.760 6.900 1.00 4.52 H new ATOM 0 HA TRP A 28 13.207 -7.054 4.192 1.00 43.24 H new ATOM 0 HB2 TRP A 28 12.199 -9.016 5.374 1.00 34.51 H new ATOM 0 HB3 TRP A 28 11.178 -7.924 6.288 1.00 34.51 H new ATOM 0 HD1 TRP A 28 11.870 -8.487 2.469 1.00 32.54 H new ATOM 0 HE1 TRP A 28 9.616 -8.394 1.203 1.00 72.12 H new ATOM 0 HE3 TRP A 28 8.810 -7.550 6.454 1.00 14.13 H new ATOM 0 HZ2 TRP A 28 6.913 -7.973 1.862 1.00 22.21 H new ATOM 0 HZ3 TRP A 28 6.391 -7.311 6.056 1.00 63.41 H new ATOM 0 HH2 TRP A 28 5.457 -7.526 3.789 1.00 13.11 H new ATOM 410 N LEU A 29 11.633 -5.170 6.405 1.00 54.44 N ATOM 411 CA LEU A 29 10.965 -3.885 6.585 1.00 73.25 C ATOM 412 C LEU A 29 11.859 -2.737 6.127 1.00 23.52 C ATOM 413 O LEU A 29 11.376 -1.718 5.633 1.00 34.11 O ATOM 414 CB LEU A 29 10.576 -3.691 8.051 1.00 24.13 C ATOM 415 CG LEU A 29 9.247 -4.311 8.481 1.00 33.44 C ATOM 416 CD1 LEU A 29 9.361 -4.904 9.877 1.00 12.14 C ATOM 417 CD2 LEU A 29 8.133 -3.276 8.429 1.00 2.41 C ATOM 0 H LEU A 29 11.754 -5.706 7.264 1.00 54.44 H new ATOM 0 HA LEU A 29 10.063 -3.884 5.973 1.00 73.25 H new ATOM 0 HB2 LEU A 29 11.367 -4.108 8.674 1.00 24.13 H new ATOM 0 HB3 LEU A 29 10.539 -2.621 8.257 1.00 24.13 H new ATOM 0 HG LEU A 29 9.002 -5.114 7.786 1.00 33.44 H new ATOM 0 HD11 LEU A 29 8.405 -5.341 10.166 1.00 12.14 H new ATOM 0 HD12 LEU A 29 10.130 -5.677 9.882 1.00 12.14 H new ATOM 0 HD13 LEU A 29 9.630 -4.120 10.585 1.00 12.14 H new ATOM 0 HD21 LEU A 29 7.194 -3.736 8.738 1.00 2.41 H new ATOM 0 HD22 LEU A 29 8.371 -2.451 9.100 1.00 2.41 H new ATOM 0 HD23 LEU A 29 8.034 -2.899 7.411 1.00 2.41 H new ATOM 429 N LEU A 30 13.166 -2.911 6.293 1.00 12.40 N ATOM 430 CA LEU A 30 14.129 -1.890 5.895 1.00 24.11 C ATOM 431 C LEU A 30 13.997 -1.566 4.410 1.00 4.04 C ATOM 432 O LEU A 30 14.317 -0.459 3.975 1.00 54.11 O ATOM 433 CB LEU A 30 15.553 -2.358 6.202 1.00 2.41 C ATOM 434 CG LEU A 30 16.254 -1.654 7.365 1.00 64.51 C ATOM 435 CD1 LEU A 30 16.273 -0.150 7.145 1.00 3.35 C ATOM 436 CD2 LEU A 30 15.574 -1.995 8.683 1.00 54.34 C ATOM 0 H LEU A 30 13.583 -3.748 6.700 1.00 12.40 H new ATOM 0 HA LEU A 30 13.919 -0.985 6.465 1.00 24.11 H new ATOM 0 HB2 LEU A 30 15.525 -3.427 6.414 1.00 2.41 H new ATOM 0 HB3 LEU A 30 16.159 -2.226 5.305 1.00 2.41 H new ATOM 0 HG LEU A 30 17.285 -2.006 7.410 1.00 64.51 H new ATOM 0 HD11 LEU A 30 16.776 0.334 7.982 1.00 3.35 H new ATOM 0 HD12 LEU A 30 16.807 0.076 6.222 1.00 3.35 H new ATOM 0 HD13 LEU A 30 15.250 0.220 7.073 1.00 3.35 H new ATOM 0 HD21 LEU A 30 16.086 -1.485 9.499 1.00 54.34 H new ATOM 0 HD22 LEU A 30 14.533 -1.672 8.650 1.00 54.34 H new ATOM 0 HD23 LEU A 30 15.615 -3.072 8.845 1.00 54.34 H new ATOM 448 N LEU A 31 13.523 -2.537 3.638 1.00 24.31 N ATOM 449 CA LEU A 31 13.346 -2.355 2.202 1.00 64.24 C ATOM 450 C LEU A 31 11.927 -1.899 1.881 1.00 35.34 C ATOM 451 O LEU A 31 11.491 -1.956 0.732 1.00 44.34 O ATOM 452 CB LEU A 31 13.656 -3.657 1.461 1.00 74.15 C ATOM 453 CG LEU A 31 14.873 -4.438 1.956 1.00 63.34 C ATOM 454 CD1 LEU A 31 15.102 -5.672 1.096 1.00 53.11 C ATOM 455 CD2 LEU A 31 16.110 -3.552 1.959 1.00 42.10 C ATOM 0 H LEU A 31 13.254 -3.459 3.982 1.00 24.31 H new ATOM 0 HA LEU A 31 14.039 -1.582 1.871 1.00 64.24 H new ATOM 0 HB2 LEU A 31 12.782 -4.305 1.526 1.00 74.15 H new ATOM 0 HB3 LEU A 31 13.803 -3.425 0.406 1.00 74.15 H new ATOM 0 HG LEU A 31 14.680 -4.763 2.978 1.00 63.34 H new ATOM 0 HD11 LEU A 31 15.973 -6.215 1.464 1.00 53.11 H new ATOM 0 HD12 LEU A 31 14.225 -6.317 1.144 1.00 53.11 H new ATOM 0 HD13 LEU A 31 15.273 -5.369 0.063 1.00 53.11 H new ATOM 0 HD21 LEU A 31 16.967 -4.125 2.314 1.00 42.10 H new ATOM 0 HD22 LEU A 31 16.305 -3.197 0.947 1.00 42.10 H new ATOM 0 HD23 LEU A 31 15.945 -2.699 2.618 1.00 42.10 H new ATOM 467 N GLN A 32 11.211 -1.446 2.906 1.00 71.14 N ATOM 468 CA GLN A 32 9.841 -0.979 2.732 1.00 15.01 C ATOM 469 C GLN A 32 9.682 0.446 3.251 1.00 54.55 C ATOM 470 O GLN A 32 8.597 0.846 3.674 1.00 11.32 O ATOM 471 CB GLN A 32 8.867 -1.909 3.457 1.00 75.51 C ATOM 472 CG GLN A 32 9.132 -3.385 3.204 1.00 51.34 C ATOM 473 CD GLN A 32 9.432 -3.682 1.748 1.00 72.24 C ATOM 474 OE1 GLN A 32 10.409 -4.360 1.429 1.00 22.01 O ATOM 475 NE2 GLN A 32 8.590 -3.176 0.854 1.00 2.41 N ATOM 0 H GLN A 32 11.557 -1.393 3.864 1.00 71.14 H new ATOM 0 HA GLN A 32 9.614 -0.986 1.666 1.00 15.01 H new ATOM 0 HB2 GLN A 32 8.924 -1.717 4.528 1.00 75.51 H new ATOM 0 HB3 GLN A 32 7.850 -1.672 3.144 1.00 75.51 H new ATOM 0 HG2 GLN A 32 9.972 -3.710 3.818 1.00 51.34 H new ATOM 0 HG3 GLN A 32 8.264 -3.965 3.518 1.00 51.34 H new ATOM 0 HE21 GLN A 32 7.793 -2.620 1.162 1.00 2.41 H new ATOM 0 HE22 GLN A 32 8.741 -3.344 -0.141 1.00 2.41 H new ATOM 484 N TYR A 33 10.769 1.208 3.214 1.00 1.35 N ATOM 485 CA TYR A 33 10.751 2.589 3.683 1.00 21.24 C ATOM 486 C TYR A 33 9.677 3.396 2.961 1.00 75.41 C ATOM 487 O TYR A 33 9.169 4.386 3.487 1.00 30.05 O ATOM 488 CB TYR A 33 12.120 3.239 3.474 1.00 72.34 C ATOM 489 CG TYR A 33 12.393 3.625 2.038 1.00 62.55 C ATOM 490 CD1 TYR A 33 12.570 2.655 1.058 1.00 34.13 C ATOM 491 CD2 TYR A 33 12.474 4.959 1.660 1.00 42.32 C ATOM 492 CE1 TYR A 33 12.820 3.003 -0.255 1.00 3.12 C ATOM 493 CE2 TYR A 33 12.723 5.317 0.349 1.00 62.23 C ATOM 494 CZ TYR A 33 12.896 4.335 -0.605 1.00 10.23 C ATOM 495 OH TYR A 33 13.144 4.686 -1.912 1.00 2.11 O ATOM 0 H TYR A 33 11.674 0.893 2.864 1.00 1.35 H new ATOM 0 HA TYR A 33 10.519 2.581 4.748 1.00 21.24 H new ATOM 0 HB2 TYR A 33 12.190 4.128 4.100 1.00 72.34 H new ATOM 0 HB3 TYR A 33 12.895 2.550 3.810 1.00 72.34 H new ATOM 0 HD1 TYR A 33 12.511 1.611 1.328 1.00 34.13 H new ATOM 0 HD2 TYR A 33 12.340 5.730 2.404 1.00 42.32 H new ATOM 0 HE1 TYR A 33 12.955 2.236 -1.004 1.00 3.12 H new ATOM 0 HE2 TYR A 33 12.782 6.359 0.072 1.00 62.23 H new ATOM 0 HH TYR A 33 13.165 5.663 -1.990 1.00 2.11 H new ATOM 505 N ARG A 34 9.335 2.964 1.752 1.00 75.45 N ATOM 506 CA ARG A 34 8.321 3.645 0.955 1.00 31.22 C ATOM 507 C ARG A 34 6.943 3.507 1.596 1.00 71.21 C ATOM 508 O ARG A 34 6.090 4.383 1.452 1.00 1.14 O ATOM 509 CB ARG A 34 8.293 3.079 -0.466 1.00 3.31 C ATOM 510 CG ARG A 34 9.413 3.602 -1.351 1.00 72.12 C ATOM 511 CD ARG A 34 8.968 3.721 -2.800 1.00 54.23 C ATOM 512 NE ARG A 34 9.615 4.839 -3.482 1.00 24.32 N ATOM 513 CZ ARG A 34 9.621 4.991 -4.801 1.00 42.14 C ATOM 514 NH1 ARG A 34 9.016 4.102 -5.577 1.00 45.33 N ATOM 515 NH2 ARG A 34 10.232 6.035 -5.347 1.00 63.22 N ATOM 0 H ARG A 34 9.745 2.145 1.302 1.00 75.45 H new ATOM 0 HA ARG A 34 8.579 4.703 0.912 1.00 31.22 H new ATOM 0 HB2 ARG A 34 8.358 1.992 -0.417 1.00 3.31 H new ATOM 0 HB3 ARG A 34 7.335 3.321 -0.926 1.00 3.31 H new ATOM 0 HG2 ARG A 34 9.740 4.577 -0.988 1.00 72.12 H new ATOM 0 HG3 ARG A 34 10.272 2.934 -1.287 1.00 72.12 H new ATOM 0 HD2 ARG A 34 9.196 2.794 -3.326 1.00 54.23 H new ATOM 0 HD3 ARG A 34 7.886 3.851 -2.837 1.00 54.23 H new ATOM 0 HE ARG A 34 10.088 5.542 -2.914 1.00 24.32 H new ATOM 0 HH11 ARG A 34 8.544 3.299 -5.161 1.00 45.33 H new ATOM 0 HH12 ARG A 34 9.022 4.221 -6.590 1.00 45.33 H new ATOM 0 HH21 ARG A 34 10.698 6.721 -4.753 1.00 63.22 H new ATOM 0 HH22 ARG A 34 10.236 6.151 -6.360 1.00 63.22 H new ATOM 529 N ASP A 35 6.733 2.401 2.302 1.00 54.50 N ATOM 530 CA ASP A 35 5.459 2.149 2.965 1.00 33.42 C ATOM 531 C ASP A 35 5.511 2.585 4.426 1.00 15.20 C ATOM 532 O ASP A 35 5.062 1.863 5.316 1.00 53.50 O ATOM 533 CB ASP A 35 5.099 0.665 2.876 1.00 75.21 C ATOM 534 CG ASP A 35 5.562 0.034 1.578 1.00 63.41 C ATOM 535 OD1 ASP A 35 5.391 0.667 0.515 1.00 34.01 O ATOM 536 OD2 ASP A 35 6.098 -1.093 1.625 1.00 72.31 O ATOM 0 H ASP A 35 7.428 1.665 2.430 1.00 54.50 H new ATOM 0 HA ASP A 35 4.691 2.733 2.457 1.00 33.42 H new ATOM 0 HB2 ASP A 35 5.548 0.134 3.715 1.00 75.21 H new ATOM 0 HB3 ASP A 35 4.019 0.550 2.968 1.00 75.21 H new ATOM 541 N ALA A 36 6.062 3.771 4.665 1.00 60.52 N ATOM 542 CA ALA A 36 6.172 4.303 6.017 1.00 13.51 C ATOM 543 C ALA A 36 4.805 4.380 6.689 1.00 2.25 C ATOM 544 O ALA A 36 4.559 3.756 7.722 1.00 53.32 O ATOM 545 CB ALA A 36 6.827 5.676 5.992 1.00 44.23 C ATOM 0 H ALA A 36 6.439 4.381 3.940 1.00 60.52 H new ATOM 0 HA ALA A 36 6.797 3.625 6.598 1.00 13.51 H new ATOM 0 HB1 ALA A 36 6.903 6.062 7.009 1.00 44.23 H new ATOM 0 HB2 ALA A 36 7.824 5.596 5.559 1.00 44.23 H new ATOM 0 HB3 ALA A 36 6.224 6.356 5.390 1.00 44.23 H new ATOM 551 N PRO A 37 3.894 5.164 6.093 1.00 64.40 N ATOM 552 CA PRO A 37 2.537 5.340 6.618 1.00 41.43 C ATOM 553 C PRO A 37 1.691 4.080 6.473 1.00 21.05 C ATOM 554 O PRO A 37 0.836 3.794 7.312 1.00 25.23 O ATOM 555 CB PRO A 37 1.967 6.469 5.754 1.00 22.42 C ATOM 556 CG PRO A 37 2.739 6.399 4.482 1.00 23.11 C ATOM 557 CD PRO A 37 4.119 5.937 4.860 1.00 24.30 C ATOM 0 HA PRO A 37 2.538 5.560 7.686 1.00 41.43 H new ATOM 0 HB2 PRO A 37 0.900 6.332 5.578 1.00 22.42 H new ATOM 0 HB3 PRO A 37 2.089 7.438 6.238 1.00 22.42 H new ATOM 0 HG2 PRO A 37 2.274 5.706 3.781 1.00 23.11 H new ATOM 0 HG3 PRO A 37 2.774 7.372 3.993 1.00 23.11 H new ATOM 0 HD2 PRO A 37 4.566 5.324 4.077 1.00 24.30 H new ATOM 0 HD3 PRO A 37 4.792 6.778 5.030 1.00 24.30 H new ATOM 565 N LYS A 38 1.935 3.329 5.405 1.00 75.30 N ATOM 566 CA LYS A 38 1.197 2.097 5.151 1.00 54.01 C ATOM 567 C LYS A 38 1.448 1.074 6.254 1.00 4.43 C ATOM 568 O LYS A 38 0.511 0.573 6.875 1.00 22.14 O ATOM 569 CB LYS A 38 1.596 1.509 3.795 1.00 1.35 C ATOM 570 CG LYS A 38 0.695 1.947 2.654 1.00 61.44 C ATOM 571 CD LYS A 38 1.015 3.361 2.201 1.00 44.31 C ATOM 572 CE LYS A 38 0.497 3.628 0.796 1.00 64.42 C ATOM 573 NZ LYS A 38 0.493 5.081 0.473 1.00 54.33 N ATOM 0 H LYS A 38 2.638 3.552 4.701 1.00 75.30 H new ATOM 0 HA LYS A 38 0.134 2.337 5.138 1.00 54.01 H new ATOM 0 HB2 LYS A 38 2.622 1.801 3.569 1.00 1.35 H new ATOM 0 HB3 LYS A 38 1.581 0.421 3.862 1.00 1.35 H new ATOM 0 HG2 LYS A 38 0.810 1.261 1.815 1.00 61.44 H new ATOM 0 HG3 LYS A 38 -0.347 1.893 2.970 1.00 61.44 H new ATOM 0 HD2 LYS A 38 0.572 4.075 2.895 1.00 44.31 H new ATOM 0 HD3 LYS A 38 2.093 3.517 2.228 1.00 44.31 H new ATOM 0 HE2 LYS A 38 1.117 3.097 0.073 1.00 64.42 H new ATOM 0 HE3 LYS A 38 -0.514 3.232 0.700 1.00 64.42 H new ATOM 0 HZ1 LYS A 38 0.133 5.221 -0.493 1.00 54.33 H new ATOM 0 HZ2 LYS A 38 -0.119 5.585 1.147 1.00 54.33 H new ATOM 0 HZ3 LYS A 38 1.462 5.454 0.539 1.00 54.33 H new ATOM 587 N VAL A 39 2.720 0.770 6.494 1.00 0.43 N ATOM 588 CA VAL A 39 3.095 -0.190 7.525 1.00 70.41 C ATOM 589 C VAL A 39 2.680 0.297 8.908 1.00 15.43 C ATOM 590 O VAL A 39 2.275 -0.493 9.761 1.00 42.34 O ATOM 591 CB VAL A 39 4.612 -0.455 7.520 1.00 23.12 C ATOM 592 CG1 VAL A 39 4.989 -1.426 8.629 1.00 74.23 C ATOM 593 CG2 VAL A 39 5.056 -0.983 6.164 1.00 4.23 C ATOM 0 H VAL A 39 3.508 1.175 5.988 1.00 0.43 H new ATOM 0 HA VAL A 39 2.570 -1.118 7.298 1.00 70.41 H new ATOM 0 HB VAL A 39 5.128 0.487 7.704 1.00 23.12 H new ATOM 0 HG11 VAL A 39 6.065 -1.601 8.609 1.00 74.23 H new ATOM 0 HG12 VAL A 39 4.708 -1.004 9.594 1.00 74.23 H new ATOM 0 HG13 VAL A 39 4.465 -2.370 8.480 1.00 74.23 H new ATOM 0 HG21 VAL A 39 6.131 -1.165 6.178 1.00 4.23 H new ATOM 0 HG22 VAL A 39 4.533 -1.915 5.947 1.00 4.23 H new ATOM 0 HG23 VAL A 39 4.823 -0.248 5.393 1.00 4.23 H new ATOM 603 N ALA A 40 2.782 1.605 9.124 1.00 32.20 N ATOM 604 CA ALA A 40 2.414 2.199 10.403 1.00 22.13 C ATOM 605 C ALA A 40 0.926 2.020 10.684 1.00 1.32 C ATOM 606 O ALA A 40 0.532 1.694 11.803 1.00 12.12 O ATOM 607 CB ALA A 40 2.784 3.675 10.426 1.00 61.45 C ATOM 0 H ALA A 40 3.116 2.273 8.429 1.00 32.20 H new ATOM 0 HA ALA A 40 2.969 1.685 11.187 1.00 22.13 H new ATOM 0 HB1 ALA A 40 2.503 4.106 11.387 1.00 61.45 H new ATOM 0 HB2 ALA A 40 3.859 3.783 10.280 1.00 61.45 H new ATOM 0 HB3 ALA A 40 2.255 4.195 9.627 1.00 61.45 H new ATOM 613 N GLU A 41 0.105 2.237 9.661 1.00 22.02 N ATOM 614 CA GLU A 41 -1.340 2.101 9.800 1.00 20.03 C ATOM 615 C GLU A 41 -1.730 0.644 10.031 1.00 24.33 C ATOM 616 O GLU A 41 -2.459 0.327 10.971 1.00 65.23 O ATOM 617 CB GLU A 41 -2.047 2.638 8.554 1.00 13.14 C ATOM 618 CG GLU A 41 -3.543 2.832 8.740 1.00 41.42 C ATOM 619 CD GLU A 41 -4.219 3.379 7.497 1.00 4.12 C ATOM 620 OE1 GLU A 41 -3.661 3.206 6.393 1.00 13.13 O ATOM 621 OE2 GLU A 41 -5.305 3.980 7.629 1.00 35.05 O ATOM 0 H GLU A 41 0.416 2.507 8.728 1.00 22.02 H new ATOM 0 HA GLU A 41 -1.652 2.684 10.666 1.00 20.03 H new ATOM 0 HB2 GLU A 41 -1.598 3.591 8.274 1.00 13.14 H new ATOM 0 HB3 GLU A 41 -1.878 1.950 7.726 1.00 13.14 H new ATOM 0 HG2 GLU A 41 -3.999 1.879 9.007 1.00 41.42 H new ATOM 0 HG3 GLU A 41 -3.717 3.513 9.573 1.00 41.42 H new ATOM 628 N MET A 42 -1.238 -0.238 9.167 1.00 74.12 N ATOM 629 CA MET A 42 -1.534 -1.662 9.277 1.00 54.23 C ATOM 630 C MET A 42 -1.041 -2.219 10.608 1.00 3.42 C ATOM 631 O MET A 42 -1.791 -2.870 11.335 1.00 24.02 O ATOM 632 CB MET A 42 -0.891 -2.429 8.120 1.00 72.02 C ATOM 633 CG MET A 42 -1.626 -3.709 7.756 1.00 15.21 C ATOM 634 SD MET A 42 -0.509 -5.036 7.265 1.00 72.01 S ATOM 635 CE MET A 42 -0.348 -5.931 8.808 1.00 62.11 C ATOM 0 H MET A 42 -0.633 0.008 8.384 1.00 74.12 H new ATOM 0 HA MET A 42 -2.616 -1.787 9.230 1.00 54.23 H new ATOM 0 HB2 MET A 42 -0.850 -1.782 7.244 1.00 72.02 H new ATOM 0 HB3 MET A 42 0.138 -2.673 8.384 1.00 72.02 H new ATOM 0 HG2 MET A 42 -2.221 -4.037 8.609 1.00 15.21 H new ATOM 0 HG3 MET A 42 -2.321 -3.505 6.942 1.00 15.21 H new ATOM 0 HE1 MET A 42 0.458 -6.660 8.723 1.00 62.11 H new ATOM 0 HE2 MET A 42 -0.121 -5.231 9.612 1.00 62.11 H new ATOM 0 HE3 MET A 42 -1.283 -6.447 9.029 1.00 62.11 H new ATOM 645 N TRP A 43 0.224 -1.958 10.921 1.00 75.34 N ATOM 646 CA TRP A 43 0.817 -2.434 12.165 1.00 33.32 C ATOM 647 C TRP A 43 0.032 -1.929 13.371 1.00 52.34 C ATOM 648 O TRP A 43 -0.326 -2.701 14.260 1.00 74.43 O ATOM 649 CB TRP A 43 2.275 -1.983 12.265 1.00 53.04 C ATOM 650 CG TRP A 43 2.963 -2.467 13.505 1.00 41.02 C ATOM 651 CD1 TRP A 43 3.666 -3.628 13.652 1.00 63.43 C ATOM 652 CD2 TRP A 43 3.012 -1.803 14.772 1.00 31.14 C ATOM 653 NE1 TRP A 43 4.149 -3.727 14.934 1.00 4.43 N ATOM 654 CE2 TRP A 43 3.762 -2.619 15.641 1.00 24.14 C ATOM 655 CE3 TRP A 43 2.497 -0.598 15.257 1.00 34.14 C ATOM 656 CZ2 TRP A 43 4.007 -2.267 16.966 1.00 23.51 C ATOM 657 CZ3 TRP A 43 2.740 -0.251 16.572 1.00 3.35 C ATOM 658 CH2 TRP A 43 3.491 -1.082 17.414 1.00 33.24 C ATOM 0 H TRP A 43 0.858 -1.420 10.330 1.00 75.34 H new ATOM 0 HA TRP A 43 0.781 -3.523 12.162 1.00 33.32 H new ATOM 0 HB2 TRP A 43 2.820 -2.343 11.392 1.00 53.04 H new ATOM 0 HB3 TRP A 43 2.314 -0.894 12.238 1.00 53.04 H new ATOM 0 HD1 TRP A 43 3.820 -4.361 12.874 1.00 63.43 H new ATOM 0 HE1 TRP A 43 4.705 -4.500 15.300 1.00 4.43 H new ATOM 0 HE3 TRP A 43 1.919 0.051 14.615 1.00 34.14 H new ATOM 0 HZ2 TRP A 43 4.584 -2.907 17.617 1.00 23.51 H new ATOM 0 HZ3 TRP A 43 2.344 0.677 16.958 1.00 3.35 H new ATOM 0 HH2 TRP A 43 3.666 -0.781 18.436 1.00 33.24 H new ATOM 669 N LYS A 44 -0.233 -0.627 13.395 1.00 53.11 N ATOM 670 CA LYS A 44 -0.978 -0.018 14.491 1.00 45.53 C ATOM 671 C LYS A 44 -2.306 -0.734 14.711 1.00 22.31 C ATOM 672 O LYS A 44 -2.581 -1.226 15.805 1.00 73.12 O ATOM 673 CB LYS A 44 -1.227 1.465 14.203 1.00 73.44 C ATOM 674 CG LYS A 44 -2.047 2.163 15.274 1.00 23.22 C ATOM 675 CD LYS A 44 -3.119 3.052 14.666 1.00 65.41 C ATOM 676 CE LYS A 44 -2.664 4.501 14.591 1.00 11.21 C ATOM 677 NZ LYS A 44 -3.800 5.448 14.764 1.00 12.34 N ATOM 0 H LYS A 44 0.057 0.027 12.668 1.00 53.11 H new ATOM 0 HA LYS A 44 -0.381 -0.111 15.398 1.00 45.53 H new ATOM 0 HB2 LYS A 44 -0.268 1.973 14.103 1.00 73.44 H new ATOM 0 HB3 LYS A 44 -1.739 1.560 13.246 1.00 73.44 H new ATOM 0 HG2 LYS A 44 -2.514 1.418 15.919 1.00 23.22 H new ATOM 0 HG3 LYS A 44 -1.390 2.763 15.903 1.00 23.22 H new ATOM 0 HD2 LYS A 44 -3.366 2.695 13.666 1.00 65.41 H new ATOM 0 HD3 LYS A 44 -4.029 2.986 15.262 1.00 65.41 H new ATOM 0 HE2 LYS A 44 -1.915 4.687 15.361 1.00 11.21 H new ATOM 0 HE3 LYS A 44 -2.184 4.682 13.629 1.00 11.21 H new ATOM 0 HZ1 LYS A 44 -3.449 6.425 14.707 1.00 12.34 H new ATOM 0 HZ2 LYS A 44 -4.503 5.288 14.014 1.00 12.34 H new ATOM 0 HZ3 LYS A 44 -4.243 5.293 15.692 1.00 12.34 H new ATOM 691 N GLU A 45 -3.124 -0.790 13.665 1.00 62.34 N ATOM 692 CA GLU A 45 -4.423 -1.448 13.746 1.00 63.14 C ATOM 693 C GLU A 45 -4.272 -2.894 14.209 1.00 72.32 C ATOM 694 O GLU A 45 -5.115 -3.414 14.940 1.00 74.31 O ATOM 695 CB GLU A 45 -5.126 -1.407 12.387 1.00 3.42 C ATOM 696 CG GLU A 45 -6.007 -0.184 12.195 1.00 34.12 C ATOM 697 CD GLU A 45 -6.889 -0.288 10.966 1.00 72.10 C ATOM 698 OE1 GLU A 45 -6.619 -1.161 10.115 1.00 63.13 O ATOM 699 OE2 GLU A 45 -7.849 0.503 10.855 1.00 61.01 O ATOM 0 H GLU A 45 -2.911 -0.388 12.752 1.00 62.34 H new ATOM 0 HA GLU A 45 -5.029 -0.912 14.477 1.00 63.14 H new ATOM 0 HB2 GLU A 45 -4.375 -1.431 11.598 1.00 3.42 H new ATOM 0 HB3 GLU A 45 -5.735 -2.304 12.275 1.00 3.42 H new ATOM 0 HG2 GLU A 45 -6.633 -0.050 13.077 1.00 34.12 H new ATOM 0 HG3 GLU A 45 -5.378 0.703 12.113 1.00 34.12 H new ATOM 706 N TYR A 46 -3.193 -3.538 13.777 1.00 13.05 N ATOM 707 CA TYR A 46 -2.933 -4.925 14.145 1.00 41.23 C ATOM 708 C TYR A 46 -2.667 -5.051 15.642 1.00 73.33 C ATOM 709 O TYR A 46 -3.101 -6.009 16.281 1.00 11.14 O ATOM 710 CB TYR A 46 -1.740 -5.468 13.356 1.00 11.10 C ATOM 711 CG TYR A 46 -1.254 -6.814 13.844 1.00 50.03 C ATOM 712 CD1 TYR A 46 -0.297 -6.907 14.846 1.00 24.05 C ATOM 713 CD2 TYR A 46 -1.751 -7.993 13.301 1.00 11.54 C ATOM 714 CE1 TYR A 46 0.151 -8.135 15.295 1.00 42.31 C ATOM 715 CE2 TYR A 46 -1.310 -9.224 13.745 1.00 74.44 C ATOM 716 CZ TYR A 46 -0.359 -9.290 14.741 1.00 31.32 C ATOM 717 OH TYR A 46 0.084 -10.516 15.184 1.00 14.55 O ATOM 0 H TYR A 46 -2.485 -3.122 13.172 1.00 13.05 H new ATOM 0 HA TYR A 46 -3.819 -5.511 13.902 1.00 41.23 H new ATOM 0 HB2 TYR A 46 -2.017 -5.550 12.305 1.00 11.10 H new ATOM 0 HB3 TYR A 46 -0.920 -4.752 13.414 1.00 11.10 H new ATOM 0 HD1 TYR A 46 0.104 -6.004 15.282 1.00 24.05 H new ATOM 0 HD2 TYR A 46 -2.494 -7.946 12.519 1.00 11.54 H new ATOM 0 HE1 TYR A 46 0.896 -8.190 16.075 1.00 42.31 H new ATOM 0 HE2 TYR A 46 -1.708 -10.131 13.314 1.00 74.44 H new ATOM 0 HH TYR A 46 -0.376 -11.228 14.692 1.00 14.55 H new ATOM 727 N MET A 47 -1.952 -4.077 16.193 1.00 5.13 N ATOM 728 CA MET A 47 -1.629 -4.077 17.616 1.00 60.35 C ATOM 729 C MET A 47 -2.843 -3.679 18.448 1.00 11.25 C ATOM 730 O MET A 47 -3.242 -4.397 19.366 1.00 73.42 O ATOM 731 CB MET A 47 -0.467 -3.123 17.897 1.00 12.50 C ATOM 732 CG MET A 47 0.831 -3.528 17.218 1.00 21.44 C ATOM 733 SD MET A 47 1.754 -4.756 18.163 1.00 62.01 S ATOM 734 CE MET A 47 2.531 -3.718 19.399 1.00 33.31 C ATOM 0 H MET A 47 -1.585 -3.277 15.677 1.00 5.13 H new ATOM 0 HA MET A 47 -1.334 -5.088 17.897 1.00 60.35 H new ATOM 0 HB2 MET A 47 -0.743 -2.121 17.567 1.00 12.50 H new ATOM 0 HB3 MET A 47 -0.303 -3.071 18.973 1.00 12.50 H new ATOM 0 HG2 MET A 47 0.610 -3.928 16.228 1.00 21.44 H new ATOM 0 HG3 MET A 47 1.452 -2.644 17.073 1.00 21.44 H new ATOM 0 HE1 MET A 47 3.613 -3.751 19.274 1.00 33.31 H new ATOM 0 HE2 MET A 47 2.184 -2.691 19.283 1.00 33.31 H new ATOM 0 HE3 MET A 47 2.270 -4.079 20.394 1.00 33.31 H new ATOM 744 N LEU A 48 -3.426 -2.530 18.124 1.00 33.20 N ATOM 745 CA LEU A 48 -4.596 -2.036 18.843 1.00 45.12 C ATOM 746 C LEU A 48 -5.681 -3.105 18.918 1.00 24.33 C ATOM 747 O LEU A 48 -6.480 -3.127 19.854 1.00 31.42 O ATOM 748 CB LEU A 48 -5.146 -0.782 18.161 1.00 63.14 C ATOM 749 CG LEU A 48 -4.188 0.407 18.068 1.00 33.50 C ATOM 750 CD1 LEU A 48 -4.814 1.535 17.263 1.00 73.42 C ATOM 751 CD2 LEU A 48 -3.804 0.891 19.458 1.00 25.04 C ATOM 0 H LEU A 48 -3.108 -1.923 17.368 1.00 33.20 H new ATOM 0 HA LEU A 48 -4.289 -1.785 19.858 1.00 45.12 H new ATOM 0 HB2 LEU A 48 -5.460 -1.050 17.152 1.00 63.14 H new ATOM 0 HB3 LEU A 48 -6.039 -0.462 18.699 1.00 63.14 H new ATOM 0 HG LEU A 48 -3.283 0.081 17.555 1.00 33.50 H new ATOM 0 HD11 LEU A 48 -4.118 2.372 17.208 1.00 73.42 H new ATOM 0 HD12 LEU A 48 -5.039 1.182 16.256 1.00 73.42 H new ATOM 0 HD13 LEU A 48 -5.735 1.860 17.747 1.00 73.42 H new ATOM 0 HD21 LEU A 48 -3.122 1.737 19.373 1.00 25.04 H new ATOM 0 HD22 LEU A 48 -4.700 1.200 19.996 1.00 25.04 H new ATOM 0 HD23 LEU A 48 -3.314 0.083 20.002 1.00 25.04 H new ATOM 763 N ARG A 49 -5.701 -3.991 17.928 1.00 23.41 N ATOM 764 CA ARG A 49 -6.687 -5.064 17.883 1.00 63.31 C ATOM 765 C ARG A 49 -6.634 -5.905 19.155 1.00 22.30 C ATOM 766 O ARG A 49 -5.595 -6.455 19.522 1.00 12.04 O ATOM 767 CB ARG A 49 -6.449 -5.953 16.661 1.00 61.32 C ATOM 768 CG ARG A 49 -7.180 -5.483 15.414 1.00 1.00 C ATOM 769 CD ARG A 49 -6.537 -6.032 14.150 1.00 25.44 C ATOM 770 NE ARG A 49 -7.517 -6.265 13.093 1.00 11.34 N ATOM 771 CZ ARG A 49 -8.407 -7.251 13.120 1.00 0.52 C ATOM 772 NH1 ARG A 49 -8.440 -8.091 14.145 1.00 4.11 N ATOM 773 NH2 ARG A 49 -9.267 -7.397 12.120 1.00 11.04 N ATOM 0 H ARG A 49 -5.046 -3.987 17.146 1.00 23.41 H new ATOM 0 HA ARG A 49 -7.676 -4.612 17.808 1.00 63.31 H new ATOM 0 HB2 ARG A 49 -5.380 -5.991 16.453 1.00 61.32 H new ATOM 0 HB3 ARG A 49 -6.764 -6.970 16.895 1.00 61.32 H new ATOM 0 HG2 ARG A 49 -8.222 -5.800 15.461 1.00 1.00 H new ATOM 0 HG3 ARG A 49 -7.180 -4.394 15.380 1.00 1.00 H new ATOM 0 HD2 ARG A 49 -5.781 -5.332 13.795 1.00 25.44 H new ATOM 0 HD3 ARG A 49 -6.024 -6.966 14.381 1.00 25.44 H new ATOM 0 HE ARG A 49 -7.518 -5.636 12.290 1.00 11.34 H new ATOM 0 HH11 ARG A 49 -7.781 -7.981 14.916 1.00 4.11 H new ATOM 0 HH12 ARG A 49 -9.124 -8.847 14.163 1.00 4.11 H new ATOM 0 HH21 ARG A 49 -9.245 -6.752 11.330 1.00 11.04 H new ATOM 0 HH22 ARG A 49 -9.950 -8.154 12.141 1.00 11.04 H new ATOM 787 N PRO A 50 -7.780 -6.008 19.845 1.00 64.43 N ATOM 788 CA PRO A 50 -7.890 -6.780 21.086 1.00 63.30 C ATOM 789 C PRO A 50 -7.785 -8.282 20.846 1.00 60.53 C ATOM 790 O PRO A 50 -7.267 -9.020 21.684 1.00 32.21 O ATOM 791 CB PRO A 50 -9.283 -6.418 21.607 1.00 42.13 C ATOM 792 CG PRO A 50 -10.050 -6.023 20.392 1.00 11.14 C ATOM 793 CD PRO A 50 -9.056 -5.380 19.465 1.00 10.34 C ATOM 0 HA PRO A 50 -7.085 -6.547 21.783 1.00 63.30 H new ATOM 0 HB2 PRO A 50 -9.749 -7.264 22.112 1.00 42.13 H new ATOM 0 HB3 PRO A 50 -9.236 -5.602 22.329 1.00 42.13 H new ATOM 0 HG2 PRO A 50 -10.514 -6.891 19.924 1.00 11.14 H new ATOM 0 HG3 PRO A 50 -10.852 -5.330 20.645 1.00 11.14 H new ATOM 0 HD2 PRO A 50 -9.301 -5.568 18.420 1.00 10.34 H new ATOM 0 HD3 PRO A 50 -9.026 -4.298 19.595 1.00 10.34 H new ATOM 801 N SER A 51 -8.279 -8.729 19.695 1.00 33.04 N ATOM 802 CA SER A 51 -8.244 -10.144 19.346 1.00 30.45 C ATOM 803 C SER A 51 -6.813 -10.674 19.368 1.00 14.13 C ATOM 804 O SER A 51 -6.579 -11.851 19.642 1.00 3.14 O ATOM 805 CB SER A 51 -8.861 -10.366 17.964 1.00 21.11 C ATOM 806 OG SER A 51 -10.259 -10.134 17.986 1.00 23.22 O ATOM 0 H SER A 51 -8.708 -8.131 18.989 1.00 33.04 H new ATOM 0 HA SER A 51 -8.827 -10.690 20.088 1.00 30.45 H new ATOM 0 HB2 SER A 51 -8.390 -9.700 17.241 1.00 21.11 H new ATOM 0 HB3 SER A 51 -8.664 -11.386 17.634 1.00 21.11 H new ATOM 0 HG SER A 51 -10.629 -10.281 17.091 1.00 23.22 H new ATOM 812 N VAL A 52 -5.859 -9.795 19.077 1.00 33.22 N ATOM 813 CA VAL A 52 -4.451 -10.172 19.064 1.00 21.10 C ATOM 814 C VAL A 52 -3.965 -10.529 20.464 1.00 25.30 C ATOM 815 O VAL A 52 -4.142 -9.761 21.408 1.00 22.14 O ATOM 816 CB VAL A 52 -3.572 -9.040 18.500 1.00 11.35 C ATOM 817 CG1 VAL A 52 -2.120 -9.484 18.412 1.00 71.12 C ATOM 818 CG2 VAL A 52 -4.086 -8.594 17.140 1.00 61.12 C ATOM 0 H VAL A 52 -6.036 -8.817 18.847 1.00 33.22 H new ATOM 0 HA VAL A 52 -4.363 -11.046 18.418 1.00 21.10 H new ATOM 0 HB VAL A 52 -3.625 -8.189 19.179 1.00 11.35 H new ATOM 0 HG11 VAL A 52 -1.515 -8.671 18.011 1.00 71.12 H new ATOM 0 HG12 VAL A 52 -1.760 -9.749 19.406 1.00 71.12 H new ATOM 0 HG13 VAL A 52 -2.044 -10.351 17.755 1.00 71.12 H new ATOM 0 HG21 VAL A 52 -3.453 -7.794 16.756 1.00 61.12 H new ATOM 0 HG22 VAL A 52 -4.065 -9.437 16.449 1.00 61.12 H new ATOM 0 HG23 VAL A 52 -5.109 -8.232 17.239 1.00 61.12 H new ATOM 828 N ASN A 53 -3.350 -11.701 20.590 1.00 44.11 N ATOM 829 CA ASN A 53 -2.837 -12.161 21.875 1.00 1.35 C ATOM 830 C ASN A 53 -1.725 -11.244 22.377 1.00 15.13 C ATOM 831 O ASN A 53 -1.108 -10.515 21.600 1.00 1.33 O ATOM 832 CB ASN A 53 -2.316 -13.594 21.757 1.00 71.50 C ATOM 833 CG ASN A 53 -3.437 -14.607 21.619 1.00 64.00 C ATOM 834 OD1 ASN A 53 -4.497 -14.462 22.227 1.00 73.42 O ATOM 835 ND2 ASN A 53 -3.205 -15.640 20.817 1.00 51.44 N ATOM 0 H ASN A 53 -3.195 -12.349 19.818 1.00 44.11 H new ATOM 0 HA ASN A 53 -3.656 -12.137 22.594 1.00 1.35 H new ATOM 0 HB2 ASN A 53 -1.655 -13.668 20.893 1.00 71.50 H new ATOM 0 HB3 ASN A 53 -1.719 -13.834 22.637 1.00 71.50 H new ATOM 0 HD21 ASN A 53 -3.921 -16.354 20.685 1.00 51.44 H new ATOM 0 HD22 ASN A 53 -2.311 -15.719 20.333 1.00 51.44 H new ATOM 842 N THR A 54 -1.475 -11.286 23.682 1.00 21.03 N ATOM 843 CA THR A 54 -0.439 -10.460 24.289 1.00 41.44 C ATOM 844 C THR A 54 0.922 -10.732 23.657 1.00 34.23 C ATOM 845 O THR A 54 1.655 -9.804 23.316 1.00 71.35 O ATOM 846 CB THR A 54 -0.345 -10.701 25.807 1.00 0.31 C ATOM 847 OG1 THR A 54 -1.577 -11.245 26.294 1.00 63.33 O ATOM 848 CG2 THR A 54 -0.031 -9.406 26.542 1.00 35.32 C ATOM 0 H THR A 54 -1.976 -11.884 24.339 1.00 21.03 H new ATOM 0 HA THR A 54 -0.718 -9.422 24.111 1.00 41.44 H new ATOM 0 HB THR A 54 0.462 -11.410 25.991 1.00 0.31 H new ATOM 0 HG1 THR A 54 -1.508 -11.397 27.260 1.00 63.33 H new ATOM 0 HG21 THR A 54 0.031 -9.601 27.613 1.00 35.32 H new ATOM 0 HG22 THR A 54 0.921 -9.010 26.190 1.00 35.32 H new ATOM 0 HG23 THR A 54 -0.820 -8.678 26.350 1.00 35.32 H new ATOM 856 N ARG A 55 1.252 -12.010 23.505 1.00 65.35 N ATOM 857 CA ARG A 55 2.526 -12.405 22.914 1.00 11.52 C ATOM 858 C ARG A 55 2.746 -11.703 21.577 1.00 14.11 C ATOM 859 O ARG A 55 3.798 -11.109 21.342 1.00 21.10 O ATOM 860 CB ARG A 55 2.575 -13.921 22.721 1.00 73.24 C ATOM 861 CG ARG A 55 3.168 -14.667 23.904 1.00 22.53 C ATOM 862 CD ARG A 55 3.883 -15.935 23.462 1.00 12.12 C ATOM 863 NE ARG A 55 4.310 -16.747 24.598 1.00 5.24 N ATOM 864 CZ ARG A 55 4.649 -18.027 24.500 1.00 23.54 C ATOM 865 NH1 ARG A 55 4.611 -18.639 23.324 1.00 12.35 N ATOM 866 NH2 ARG A 55 5.028 -18.699 25.580 1.00 20.32 N ATOM 0 H ARG A 55 0.656 -12.790 23.782 1.00 65.35 H new ATOM 0 HA ARG A 55 3.322 -12.107 23.596 1.00 11.52 H new ATOM 0 HB2 ARG A 55 1.565 -14.288 22.540 1.00 73.24 H new ATOM 0 HB3 ARG A 55 3.161 -14.146 21.830 1.00 73.24 H new ATOM 0 HG2 ARG A 55 3.868 -14.018 24.431 1.00 22.53 H new ATOM 0 HG3 ARG A 55 2.377 -14.921 24.609 1.00 22.53 H new ATOM 0 HD2 ARG A 55 3.220 -16.522 22.826 1.00 12.12 H new ATOM 0 HD3 ARG A 55 4.752 -15.670 22.859 1.00 12.12 H new ATOM 0 HE ARG A 55 4.350 -16.307 25.517 1.00 5.24 H new ATOM 0 HH11 ARG A 55 4.321 -18.126 22.491 1.00 12.35 H new ATOM 0 HH12 ARG A 55 4.872 -19.622 23.252 1.00 12.35 H new ATOM 0 HH21 ARG A 55 5.059 -18.232 26.486 1.00 20.32 H new ATOM 0 HH22 ARG A 55 5.288 -19.682 25.504 1.00 20.32 H new ATOM 880 N ARG A 56 1.746 -11.776 20.705 1.00 73.52 N ATOM 881 CA ARG A 56 1.830 -11.150 19.391 1.00 63.31 C ATOM 882 C ARG A 56 2.192 -9.673 19.515 1.00 30.10 C ATOM 883 O ARG A 56 3.032 -9.164 18.773 1.00 52.42 O ATOM 884 CB ARG A 56 0.504 -11.301 18.644 1.00 14.43 C ATOM 885 CG ARG A 56 0.371 -12.617 17.896 1.00 23.25 C ATOM 886 CD ARG A 56 -1.017 -12.781 17.298 1.00 32.14 C ATOM 887 NE ARG A 56 -1.262 -14.149 16.850 1.00 61.13 N ATOM 888 CZ ARG A 56 -2.475 -14.644 16.629 1.00 65.35 C ATOM 889 NH1 ARG A 56 -3.547 -13.887 16.813 1.00 31.13 N ATOM 890 NH2 ARG A 56 -2.616 -15.899 16.221 1.00 21.11 N ATOM 0 H ARG A 56 0.868 -12.263 20.885 1.00 73.52 H new ATOM 0 HA ARG A 56 2.615 -11.653 18.826 1.00 63.31 H new ATOM 0 HB2 ARG A 56 -0.316 -11.214 19.356 1.00 14.43 H new ATOM 0 HB3 ARG A 56 0.400 -10.479 17.936 1.00 14.43 H new ATOM 0 HG2 ARG A 56 1.118 -12.663 17.103 1.00 23.25 H new ATOM 0 HG3 ARG A 56 0.576 -13.445 18.575 1.00 23.25 H new ATOM 0 HD2 ARG A 56 -1.766 -12.503 18.039 1.00 32.14 H new ATOM 0 HD3 ARG A 56 -1.132 -12.098 16.456 1.00 32.14 H new ATOM 0 HE ARG A 56 -0.458 -14.758 16.698 1.00 61.13 H new ATOM 0 HH11 ARG A 56 -3.442 -12.922 17.125 1.00 31.13 H new ATOM 0 HH12 ARG A 56 -4.477 -14.270 16.643 1.00 31.13 H new ATOM 0 HH21 ARG A 56 -1.793 -16.484 16.077 1.00 21.11 H new ATOM 0 HH22 ARG A 56 -3.547 -16.279 16.051 1.00 21.11 H new ATOM 904 N LYS A 57 1.552 -8.990 20.458 1.00 52.22 N ATOM 905 CA LYS A 57 1.805 -7.571 20.681 1.00 63.41 C ATOM 906 C LYS A 57 3.247 -7.339 21.121 1.00 42.00 C ATOM 907 O LYS A 57 3.957 -6.514 20.545 1.00 4.41 O ATOM 908 CB LYS A 57 0.844 -7.020 21.736 1.00 33.22 C ATOM 909 CG LYS A 57 -0.620 -7.250 21.404 1.00 35.11 C ATOM 910 CD LYS A 57 -1.502 -6.158 21.987 1.00 74.54 C ATOM 911 CE LYS A 57 -2.974 -6.424 21.709 1.00 12.15 C ATOM 912 NZ LYS A 57 -3.580 -7.316 22.737 1.00 50.23 N ATOM 0 H LYS A 57 0.854 -9.396 21.081 1.00 52.22 H new ATOM 0 HA LYS A 57 1.641 -7.046 19.740 1.00 63.41 H new ATOM 0 HB2 LYS A 57 1.067 -7.484 22.697 1.00 33.22 H new ATOM 0 HB3 LYS A 57 1.018 -5.950 21.851 1.00 33.22 H new ATOM 0 HG2 LYS A 57 -0.748 -7.283 20.322 1.00 35.11 H new ATOM 0 HG3 LYS A 57 -0.934 -8.219 21.792 1.00 35.11 H new ATOM 0 HD2 LYS A 57 -1.340 -6.093 23.063 1.00 74.54 H new ATOM 0 HD3 LYS A 57 -1.219 -5.195 21.563 1.00 74.54 H new ATOM 0 HE2 LYS A 57 -3.516 -5.478 21.684 1.00 12.15 H new ATOM 0 HE3 LYS A 57 -3.081 -6.879 20.724 1.00 12.15 H new ATOM 0 HZ1 LYS A 57 -3.803 -8.237 22.309 1.00 50.23 H new ATOM 0 HZ2 LYS A 57 -2.908 -7.451 23.519 1.00 50.23 H new ATOM 0 HZ3 LYS A 57 -4.453 -6.883 23.101 1.00 50.23 H new ATOM 926 N LEU A 58 3.674 -8.072 22.143 1.00 24.11 N ATOM 927 CA LEU A 58 5.033 -7.947 22.659 1.00 0.14 C ATOM 928 C LEU A 58 6.056 -8.058 21.533 1.00 31.34 C ATOM 929 O LEU A 58 6.941 -7.212 21.398 1.00 20.43 O ATOM 930 CB LEU A 58 5.300 -9.022 23.714 1.00 12.04 C ATOM 931 CG LEU A 58 6.645 -8.935 24.436 1.00 10.22 C ATOM 932 CD1 LEU A 58 7.752 -9.524 23.576 1.00 73.14 C ATOM 933 CD2 LEU A 58 6.962 -7.492 24.801 1.00 12.14 C ATOM 0 H LEU A 58 3.099 -8.759 22.631 1.00 24.11 H new ATOM 0 HA LEU A 58 5.131 -6.963 23.118 1.00 0.14 H new ATOM 0 HB2 LEU A 58 4.506 -8.976 24.460 1.00 12.04 H new ATOM 0 HB3 LEU A 58 5.230 -9.998 23.235 1.00 12.04 H new ATOM 0 HG LEU A 58 6.580 -9.516 25.356 1.00 10.22 H new ATOM 0 HD11 LEU A 58 8.702 -9.453 24.106 1.00 73.14 H new ATOM 0 HD12 LEU A 58 7.531 -10.570 23.365 1.00 73.14 H new ATOM 0 HD13 LEU A 58 7.818 -8.971 22.639 1.00 73.14 H new ATOM 0 HD21 LEU A 58 7.923 -7.449 25.314 1.00 12.14 H new ATOM 0 HD22 LEU A 58 7.008 -6.889 23.894 1.00 12.14 H new ATOM 0 HD23 LEU A 58 6.183 -7.103 25.457 1.00 12.14 H new ATOM 945 N LEU A 59 5.928 -9.105 20.726 1.00 35.41 N ATOM 946 CA LEU A 59 6.839 -9.327 19.609 1.00 4.32 C ATOM 947 C LEU A 59 6.795 -8.158 18.630 1.00 1.22 C ATOM 948 O LEU A 59 7.832 -7.650 18.206 1.00 25.32 O ATOM 949 CB LEU A 59 6.485 -10.627 18.885 1.00 14.24 C ATOM 950 CG LEU A 59 7.121 -11.900 19.443 1.00 61.53 C ATOM 951 CD1 LEU A 59 8.572 -12.010 19.000 1.00 10.12 C ATOM 952 CD2 LEU A 59 7.021 -11.926 20.961 1.00 62.41 C ATOM 0 H LEU A 59 5.202 -9.814 20.824 1.00 35.41 H new ATOM 0 HA LEU A 59 7.850 -9.405 20.008 1.00 4.32 H new ATOM 0 HB2 LEU A 59 5.402 -10.747 18.905 1.00 14.24 H new ATOM 0 HB3 LEU A 59 6.776 -10.528 17.839 1.00 14.24 H new ATOM 0 HG LEU A 59 6.576 -12.758 19.049 1.00 61.53 H new ATOM 0 HD11 LEU A 59 9.008 -12.922 19.407 1.00 10.12 H new ATOM 0 HD12 LEU A 59 8.619 -12.039 17.911 1.00 10.12 H new ATOM 0 HD13 LEU A 59 9.130 -11.147 19.364 1.00 10.12 H new ATOM 0 HD21 LEU A 59 7.479 -12.840 21.340 1.00 62.41 H new ATOM 0 HD22 LEU A 59 7.540 -11.061 21.375 1.00 62.41 H new ATOM 0 HD23 LEU A 59 5.972 -11.896 21.257 1.00 62.41 H new ATOM 964 N GLY A 60 5.585 -7.734 18.277 1.00 44.04 N ATOM 965 CA GLY A 60 5.428 -6.627 17.352 1.00 43.40 C ATOM 966 C GLY A 60 6.190 -5.392 17.791 1.00 10.14 C ATOM 967 O GLY A 60 6.836 -4.729 16.978 1.00 33.32 O ATOM 0 H GLY A 60 4.711 -8.137 18.615 1.00 44.04 H new ATOM 0 HA2 GLY A 60 5.774 -6.931 16.364 1.00 43.40 H new ATOM 0 HA3 GLY A 60 4.370 -6.383 17.258 1.00 43.40 H new ATOM 971 N LEU A 61 6.114 -5.080 19.080 1.00 3.34 N ATOM 972 CA LEU A 61 6.801 -3.914 19.627 1.00 20.50 C ATOM 973 C LEU A 61 8.302 -3.996 19.368 1.00 40.10 C ATOM 974 O LEU A 61 8.920 -3.026 18.928 1.00 11.13 O ATOM 975 CB LEU A 61 6.537 -3.800 21.129 1.00 33.43 C ATOM 976 CG LEU A 61 6.679 -2.402 21.732 1.00 63.14 C ATOM 977 CD1 LEU A 61 5.567 -1.491 21.235 1.00 24.10 C ATOM 978 CD2 LEU A 61 6.674 -2.473 23.252 1.00 61.23 C ATOM 0 H LEU A 61 5.584 -5.617 19.766 1.00 3.34 H new ATOM 0 HA LEU A 61 6.412 -3.026 19.128 1.00 20.50 H new ATOM 0 HB2 LEU A 61 5.527 -4.159 21.328 1.00 33.43 H new ATOM 0 HB3 LEU A 61 7.222 -4.470 21.650 1.00 33.43 H new ATOM 0 HG LEU A 61 7.633 -1.984 21.411 1.00 63.14 H new ATOM 0 HD11 LEU A 61 5.684 -0.501 21.675 1.00 24.10 H new ATOM 0 HD12 LEU A 61 5.618 -1.414 20.149 1.00 24.10 H new ATOM 0 HD13 LEU A 61 4.601 -1.904 21.525 1.00 24.10 H new ATOM 0 HD21 LEU A 61 6.776 -1.469 23.663 1.00 61.23 H new ATOM 0 HD22 LEU A 61 5.736 -2.911 23.593 1.00 61.23 H new ATOM 0 HD23 LEU A 61 7.507 -3.090 23.590 1.00 61.23 H new ATOM 990 N TYR A 62 8.882 -5.159 19.641 1.00 31.24 N ATOM 991 CA TYR A 62 10.311 -5.367 19.438 1.00 34.42 C ATOM 992 C TYR A 62 10.665 -5.307 17.955 1.00 14.24 C ATOM 993 O TYR A 62 11.760 -4.884 17.583 1.00 61.40 O ATOM 994 CB TYR A 62 10.739 -6.715 20.021 1.00 30.05 C ATOM 995 CG TYR A 62 11.109 -6.651 21.486 1.00 13.22 C ATOM 996 CD1 TYR A 62 12.399 -6.322 21.883 1.00 21.12 C ATOM 997 CD2 TYR A 62 10.168 -6.920 22.473 1.00 44.31 C ATOM 998 CE1 TYR A 62 12.742 -6.263 23.220 1.00 12.22 C ATOM 999 CE2 TYR A 62 10.502 -6.861 23.812 1.00 33.42 C ATOM 1000 CZ TYR A 62 11.790 -6.533 24.181 1.00 54.22 C ATOM 1001 OH TYR A 62 12.126 -6.475 25.514 1.00 60.01 O ATOM 0 H TYR A 62 8.385 -5.972 20.004 1.00 31.24 H new ATOM 0 HA TYR A 62 10.845 -4.569 19.953 1.00 34.42 H new ATOM 0 HB2 TYR A 62 9.928 -7.432 19.891 1.00 30.05 H new ATOM 0 HB3 TYR A 62 11.591 -7.092 19.456 1.00 30.05 H new ATOM 0 HD1 TYR A 62 13.147 -6.109 21.133 1.00 21.12 H new ATOM 0 HD2 TYR A 62 9.159 -7.179 22.188 1.00 44.31 H new ATOM 0 HE1 TYR A 62 13.750 -6.007 23.511 1.00 12.22 H new ATOM 0 HE2 TYR A 62 9.758 -7.071 24.566 1.00 33.42 H new ATOM 0 HH TYR A 62 11.341 -6.691 26.059 1.00 60.01 H new ATOM 1011 N LEU A 63 9.729 -5.731 17.113 1.00 23.40 N ATOM 1012 CA LEU A 63 9.940 -5.726 15.670 1.00 40.45 C ATOM 1013 C LEU A 63 10.001 -4.299 15.134 1.00 52.32 C ATOM 1014 O LEU A 63 10.978 -3.906 14.497 1.00 54.31 O ATOM 1015 CB LEU A 63 8.822 -6.499 14.968 1.00 50.31 C ATOM 1016 CG LEU A 63 8.889 -6.538 13.441 1.00 62.12 C ATOM 1017 CD1 LEU A 63 8.235 -5.301 12.846 1.00 74.14 C ATOM 1018 CD2 LEU A 63 10.332 -6.657 12.973 1.00 25.24 C ATOM 0 H LEU A 63 8.817 -6.082 17.405 1.00 23.40 H new ATOM 0 HA LEU A 63 10.894 -6.213 15.465 1.00 40.45 H new ATOM 0 HB2 LEU A 63 8.829 -7.524 15.338 1.00 50.31 H new ATOM 0 HB3 LEU A 63 7.867 -6.061 15.259 1.00 50.31 H new ATOM 0 HG LEU A 63 8.342 -7.415 13.095 1.00 62.12 H new ATOM 0 HD11 LEU A 63 8.292 -5.347 11.758 1.00 74.14 H new ATOM 0 HD12 LEU A 63 7.190 -5.259 13.153 1.00 74.14 H new ATOM 0 HD13 LEU A 63 8.753 -4.410 13.200 1.00 74.14 H new ATOM 0 HD21 LEU A 63 10.360 -6.683 11.884 1.00 25.24 H new ATOM 0 HD22 LEU A 63 10.902 -5.799 13.330 1.00 25.24 H new ATOM 0 HD23 LEU A 63 10.769 -7.574 13.370 1.00 25.24 H new ATOM 1030 N MET A 64 8.951 -3.528 15.399 1.00 43.44 N ATOM 1031 CA MET A 64 8.887 -2.143 14.946 1.00 44.22 C ATOM 1032 C MET A 64 10.001 -1.313 15.576 1.00 3.20 C ATOM 1033 O MET A 64 10.489 -0.355 14.977 1.00 20.41 O ATOM 1034 CB MET A 64 7.526 -1.534 15.288 1.00 61.31 C ATOM 1035 CG MET A 64 7.401 -1.102 16.740 1.00 44.43 C ATOM 1036 SD MET A 64 7.791 0.642 16.981 1.00 53.54 S ATOM 1037 CE MET A 64 7.084 0.926 18.602 1.00 42.32 C ATOM 0 H MET A 64 8.134 -3.838 15.925 1.00 43.44 H new ATOM 0 HA MET A 64 9.019 -2.135 13.864 1.00 44.22 H new ATOM 0 HB2 MET A 64 7.351 -0.672 14.645 1.00 61.31 H new ATOM 0 HB3 MET A 64 6.745 -2.261 15.065 1.00 61.31 H new ATOM 0 HG2 MET A 64 6.386 -1.295 17.086 1.00 44.43 H new ATOM 0 HG3 MET A 64 8.067 -1.708 17.354 1.00 44.43 H new ATOM 0 HE1 MET A 64 7.245 1.964 18.892 1.00 42.32 H new ATOM 0 HE2 MET A 64 6.014 0.718 18.574 1.00 42.32 H new ATOM 0 HE3 MET A 64 7.562 0.268 19.328 1.00 42.32 H new ATOM 1047 N ASN A 65 10.398 -1.687 16.788 1.00 4.30 N ATOM 1048 CA ASN A 65 11.454 -0.976 17.499 1.00 5.55 C ATOM 1049 C ASN A 65 12.809 -1.207 16.836 1.00 33.31 C ATOM 1050 O ASN A 65 13.576 -0.268 16.622 1.00 71.24 O ATOM 1051 CB ASN A 65 11.506 -1.426 18.961 1.00 41.22 C ATOM 1052 CG ASN A 65 12.375 -0.522 19.814 1.00 14.40 C ATOM 1053 OD1 ASN A 65 12.508 0.671 19.538 1.00 34.21 O ATOM 1054 ND2 ASN A 65 12.971 -1.087 20.857 1.00 2.11 N ATOM 0 H ASN A 65 10.005 -2.478 17.298 1.00 4.30 H new ATOM 0 HA ASN A 65 11.228 0.090 17.461 1.00 5.55 H new ATOM 0 HB2 ASN A 65 10.495 -1.444 19.369 1.00 41.22 H new ATOM 0 HB3 ASN A 65 11.888 -2.446 19.011 1.00 41.22 H new ATOM 0 HD21 ASN A 65 13.568 -0.529 21.468 1.00 2.11 H new ATOM 0 HD22 ASN A 65 12.832 -2.079 21.048 1.00 2.11 H new ATOM 1061 N HIS A 66 13.096 -2.464 16.513 1.00 72.33 N ATOM 1062 CA HIS A 66 14.357 -2.820 15.872 1.00 1.12 C ATOM 1063 C HIS A 66 14.441 -2.225 14.470 1.00 41.31 C ATOM 1064 O HIS A 66 15.521 -1.866 14.000 1.00 21.22 O ATOM 1065 CB HIS A 66 14.508 -4.340 15.804 1.00 52.14 C ATOM 1066 CG HIS A 66 15.894 -4.789 15.459 1.00 23.31 C ATOM 1067 ND1 HIS A 66 17.022 -4.294 16.079 1.00 51.31 N ATOM 1068 CD2 HIS A 66 16.332 -5.696 14.554 1.00 51.30 C ATOM 1069 CE1 HIS A 66 18.093 -4.874 15.569 1.00 63.43 C ATOM 1070 NE2 HIS A 66 17.702 -5.730 14.642 1.00 51.14 N ATOM 0 H HIS A 66 12.473 -3.253 16.685 1.00 72.33 H new ATOM 0 HA HIS A 66 15.169 -2.409 16.471 1.00 1.12 H new ATOM 0 HB2 HIS A 66 14.225 -4.768 16.765 1.00 52.14 H new ATOM 0 HB3 HIS A 66 13.812 -4.733 15.063 1.00 52.14 H new ATOM 0 HD2 HIS A 66 15.718 -6.283 13.887 1.00 51.30 H new ATOM 0 HE1 HIS A 66 19.115 -4.681 15.860 1.00 63.43 H new ATOM 0 HE2 HIS A 66 18.318 -6.320 14.083 1.00 51.14 H new ATOM 1078 N VAL A 67 13.294 -2.123 13.806 1.00 62.25 N ATOM 1079 CA VAL A 67 13.238 -1.571 12.457 1.00 30.41 C ATOM 1080 C VAL A 67 13.503 -0.070 12.466 1.00 34.13 C ATOM 1081 O VAL A 67 14.366 0.424 11.741 1.00 23.51 O ATOM 1082 CB VAL A 67 11.871 -1.837 11.799 1.00 41.33 C ATOM 1083 CG1 VAL A 67 11.819 -1.221 10.409 1.00 43.12 C ATOM 1084 CG2 VAL A 67 11.589 -3.330 11.740 1.00 64.51 C ATOM 0 H VAL A 67 12.391 -2.415 14.180 1.00 62.25 H new ATOM 0 HA VAL A 67 14.015 -2.070 11.878 1.00 30.41 H new ATOM 0 HB VAL A 67 11.097 -1.369 12.408 1.00 41.33 H new ATOM 0 HG11 VAL A 67 10.846 -1.419 9.959 1.00 43.12 H new ATOM 0 HG12 VAL A 67 11.973 -0.144 10.482 1.00 43.12 H new ATOM 0 HG13 VAL A 67 12.601 -1.658 9.788 1.00 43.12 H new ATOM 0 HG21 VAL A 67 10.619 -3.499 11.272 1.00 64.51 H new ATOM 0 HG22 VAL A 67 12.365 -3.824 11.155 1.00 64.51 H new ATOM 0 HG23 VAL A 67 11.581 -3.739 12.750 1.00 64.51 H new ATOM 1094 N VAL A 68 12.753 0.652 13.293 1.00 3.32 N ATOM 1095 CA VAL A 68 12.908 2.098 13.399 1.00 54.33 C ATOM 1096 C VAL A 68 14.296 2.467 13.908 1.00 3.14 C ATOM 1097 O VAL A 68 14.858 3.491 13.520 1.00 23.15 O ATOM 1098 CB VAL A 68 11.850 2.709 14.337 1.00 75.31 C ATOM 1099 CG1 VAL A 68 10.448 2.383 13.845 1.00 74.13 C ATOM 1100 CG2 VAL A 68 12.052 2.214 15.761 1.00 31.31 C ATOM 0 H VAL A 68 12.033 0.259 13.899 1.00 3.32 H new ATOM 0 HA VAL A 68 12.772 2.504 12.397 1.00 54.33 H new ATOM 0 HB VAL A 68 11.968 3.793 14.333 1.00 75.31 H new ATOM 0 HG11 VAL A 68 9.714 2.823 14.520 1.00 74.13 H new ATOM 0 HG12 VAL A 68 10.310 2.791 12.844 1.00 74.13 H new ATOM 0 HG13 VAL A 68 10.314 1.302 13.818 1.00 74.13 H new ATOM 0 HG21 VAL A 68 11.296 2.656 16.410 1.00 31.31 H new ATOM 0 HG22 VAL A 68 11.962 1.128 15.785 1.00 31.31 H new ATOM 0 HG23 VAL A 68 13.043 2.503 16.110 1.00 31.31 H new ATOM 1110 N GLN A 69 14.844 1.625 14.779 1.00 13.53 N ATOM 1111 CA GLN A 69 16.167 1.864 15.342 1.00 24.44 C ATOM 1112 C GLN A 69 17.252 1.661 14.289 1.00 34.31 C ATOM 1113 O GLN A 69 18.218 2.420 14.226 1.00 12.32 O ATOM 1114 CB GLN A 69 16.414 0.933 16.531 1.00 1.01 C ATOM 1115 CG GLN A 69 15.986 1.523 17.865 1.00 41.40 C ATOM 1116 CD GLN A 69 16.173 0.557 19.018 1.00 45.01 C ATOM 1117 OE1 GLN A 69 15.224 0.551 19.946 1.00 30.41 O flip ATOM 1118 NE2 GLN A 69 17.161 -0.176 19.074 1.00 10.32 N flip ATOM 0 H GLN A 69 14.392 0.772 15.109 1.00 13.53 H new ATOM 0 HA GLN A 69 16.207 2.898 15.684 1.00 24.44 H new ATOM 0 HB2 GLN A 69 15.877 -0.002 16.368 1.00 1.01 H new ATOM 0 HB3 GLN A 69 17.475 0.688 16.575 1.00 1.01 H new ATOM 0 HG2 GLN A 69 16.561 2.429 18.058 1.00 41.40 H new ATOM 0 HG3 GLN A 69 14.938 1.816 17.808 1.00 41.40 H new ATOM 0 HE21 GLN A 69 17.866 -0.138 18.338 1.00 10.32 H new ATOM 0 HE22 GLN A 69 17.274 -0.821 19.856 1.00 10.32 H new ATOM 1127 N GLN A 70 17.084 0.632 13.465 1.00 31.40 N ATOM 1128 CA GLN A 70 18.050 0.329 12.415 1.00 34.02 C ATOM 1129 C GLN A 70 17.929 1.320 11.263 1.00 40.34 C ATOM 1130 O GLN A 70 18.913 1.628 10.590 1.00 32.13 O ATOM 1131 CB GLN A 70 17.845 -1.097 11.901 1.00 41.03 C ATOM 1132 CG GLN A 70 18.504 -2.157 12.769 1.00 74.24 C ATOM 1133 CD GLN A 70 19.976 -2.336 12.456 1.00 41.24 C ATOM 1134 OE1 GLN A 70 20.841 -1.849 13.185 1.00 70.24 O ATOM 1135 NE2 GLN A 70 20.269 -3.037 11.367 1.00 43.24 N ATOM 0 H GLN A 70 16.289 -0.006 13.504 1.00 31.40 H new ATOM 0 HA GLN A 70 19.050 0.414 12.840 1.00 34.02 H new ATOM 0 HB2 GLN A 70 16.776 -1.302 11.840 1.00 41.03 H new ATOM 0 HB3 GLN A 70 18.242 -1.170 10.888 1.00 41.03 H new ATOM 0 HG2 GLN A 70 18.390 -1.884 13.818 1.00 74.24 H new ATOM 0 HG3 GLN A 70 17.989 -3.107 12.629 1.00 74.24 H new ATOM 0 HE21 GLN A 70 19.520 -3.422 10.792 1.00 43.24 H new ATOM 0 HE22 GLN A 70 21.243 -3.190 11.106 1.00 43.24 H new ATOM 1144 N ALA A 71 16.717 1.817 11.040 1.00 75.32 N ATOM 1145 CA ALA A 71 16.468 2.774 9.970 1.00 51.45 C ATOM 1146 C ALA A 71 17.433 3.952 10.052 1.00 53.51 C ATOM 1147 O ALA A 71 17.804 4.537 9.034 1.00 52.11 O ATOM 1148 CB ALA A 71 15.028 3.264 10.023 1.00 23.02 C ATOM 0 H ALA A 71 15.892 1.572 11.587 1.00 75.32 H new ATOM 0 HA ALA A 71 16.633 2.268 9.019 1.00 51.45 H new ATOM 0 HB1 ALA A 71 14.857 3.978 9.218 1.00 23.02 H new ATOM 0 HB2 ALA A 71 14.351 2.418 9.907 1.00 23.02 H new ATOM 0 HB3 ALA A 71 14.843 3.748 10.982 1.00 23.02 H new ATOM 1154 N LYS A 72 17.835 4.297 11.270 1.00 5.13 N ATOM 1155 CA LYS A 72 18.758 5.405 11.487 1.00 51.43 C ATOM 1156 C LYS A 72 20.043 5.207 10.690 1.00 42.24 C ATOM 1157 O LYS A 72 20.722 6.171 10.339 1.00 42.14 O ATOM 1158 CB LYS A 72 19.084 5.541 12.976 1.00 64.23 C ATOM 1159 CG LYS A 72 18.179 6.514 13.711 1.00 44.32 C ATOM 1160 CD LYS A 72 18.746 6.883 15.072 1.00 54.02 C ATOM 1161 CE LYS A 72 19.519 8.192 15.018 1.00 75.11 C ATOM 1162 NZ LYS A 72 20.522 8.289 16.114 1.00 62.13 N ATOM 0 H LYS A 72 17.536 3.825 12.123 1.00 5.13 H new ATOM 0 HA LYS A 72 18.275 6.320 11.143 1.00 51.43 H new ATOM 0 HB2 LYS A 72 19.008 4.561 13.447 1.00 64.23 H new ATOM 0 HB3 LYS A 72 20.118 5.867 13.084 1.00 64.23 H new ATOM 0 HG2 LYS A 72 18.051 7.416 13.113 1.00 44.32 H new ATOM 0 HG3 LYS A 72 17.191 6.071 13.835 1.00 44.32 H new ATOM 0 HD2 LYS A 72 17.934 6.968 15.794 1.00 54.02 H new ATOM 0 HD3 LYS A 72 19.402 6.086 15.422 1.00 54.02 H new ATOM 0 HE2 LYS A 72 20.023 8.276 14.055 1.00 75.11 H new ATOM 0 HE3 LYS A 72 18.823 9.028 15.088 1.00 75.11 H new ATOM 0 HZ1 LYS A 72 21.028 9.195 16.043 1.00 62.13 H new ATOM 0 HZ2 LYS A 72 20.038 8.234 17.033 1.00 62.13 H new ATOM 0 HZ3 LYS A 72 21.202 7.506 16.033 1.00 62.13 H new ATOM 1176 N GLY A 73 20.371 3.950 10.406 1.00 55.02 N ATOM 1177 CA GLY A 73 21.573 3.649 9.651 1.00 73.11 C ATOM 1178 C GLY A 73 21.365 3.777 8.155 1.00 43.42 C ATOM 1179 O GLY A 73 22.328 3.897 7.397 1.00 35.00 O ATOM 0 H GLY A 73 19.825 3.135 10.686 1.00 55.02 H new ATOM 0 HA2 GLY A 73 22.372 4.322 9.963 1.00 73.11 H new ATOM 0 HA3 GLY A 73 21.900 2.636 9.884 1.00 73.11 H new ATOM 1183 N GLN A 74 20.106 3.751 7.729 1.00 25.11 N ATOM 1184 CA GLN A 74 19.777 3.863 6.313 1.00 10.01 C ATOM 1185 C GLN A 74 19.255 5.258 5.985 1.00 75.34 C ATOM 1186 O GLN A 74 18.659 5.477 4.929 1.00 24.13 O ATOM 1187 CB GLN A 74 18.736 2.811 5.925 1.00 3.12 C ATOM 1188 CG GLN A 74 18.985 1.449 6.553 1.00 13.11 C ATOM 1189 CD GLN A 74 20.452 1.069 6.561 1.00 61.24 C ATOM 1190 OE1 GLN A 74 21.173 1.310 5.592 1.00 73.44 O ATOM 1191 NE2 GLN A 74 20.903 0.471 7.657 1.00 4.12 N ATOM 0 H GLN A 74 19.298 3.653 8.344 1.00 25.11 H new ATOM 0 HA GLN A 74 20.688 3.691 5.739 1.00 10.01 H new ATOM 0 HB2 GLN A 74 17.748 3.163 6.221 1.00 3.12 H new ATOM 0 HB3 GLN A 74 18.725 2.705 4.840 1.00 3.12 H new ATOM 0 HG2 GLN A 74 18.609 1.451 7.576 1.00 13.11 H new ATOM 0 HG3 GLN A 74 18.421 0.693 6.007 1.00 13.11 H new ATOM 0 HE21 GLN A 74 20.270 0.291 8.437 1.00 4.12 H new ATOM 0 HE22 GLN A 74 21.882 0.192 7.720 1.00 4.12 H new ATOM 1200 N LYS A 75 19.480 6.198 6.895 1.00 4.43 N ATOM 1201 CA LYS A 75 19.034 7.573 6.703 1.00 12.01 C ATOM 1202 C LYS A 75 17.524 7.630 6.495 1.00 12.41 C ATOM 1203 O LYS A 75 17.045 8.177 5.501 1.00 64.35 O ATOM 1204 CB LYS A 75 19.749 8.200 5.504 1.00 13.42 C ATOM 1205 CG LYS A 75 21.251 7.976 5.506 1.00 31.11 C ATOM 1206 CD LYS A 75 21.919 8.683 6.673 1.00 10.32 C ATOM 1207 CE LYS A 75 22.000 7.784 7.898 1.00 52.45 C ATOM 1208 NZ LYS A 75 23.173 8.116 8.752 1.00 24.43 N ATOM 0 H LYS A 75 19.969 6.033 7.775 1.00 4.43 H new ATOM 0 HA LYS A 75 19.281 8.138 7.602 1.00 12.01 H new ATOM 0 HB2 LYS A 75 19.330 7.788 4.586 1.00 13.42 H new ATOM 0 HB3 LYS A 75 19.550 9.272 5.493 1.00 13.42 H new ATOM 0 HG2 LYS A 75 21.460 6.908 5.559 1.00 31.11 H new ATOM 0 HG3 LYS A 75 21.675 8.338 4.569 1.00 31.11 H new ATOM 0 HD2 LYS A 75 22.922 8.997 6.384 1.00 10.32 H new ATOM 0 HD3 LYS A 75 21.361 9.586 6.920 1.00 10.32 H new ATOM 0 HE2 LYS A 75 21.085 7.883 8.483 1.00 52.45 H new ATOM 0 HE3 LYS A 75 22.064 6.743 7.581 1.00 52.45 H new ATOM 0 HZ1 LYS A 75 23.193 7.482 9.576 1.00 24.43 H new ATOM 0 HZ2 LYS A 75 24.048 7.997 8.202 1.00 24.43 H new ATOM 0 HZ3 LYS A 75 23.099 9.102 9.076 1.00 24.43 H new ATOM 1222 N ILE A 76 16.779 7.065 7.439 1.00 2.12 N ATOM 1223 CA ILE A 76 15.324 7.055 7.360 1.00 72.14 C ATOM 1224 C ILE A 76 14.703 7.758 8.562 1.00 75.31 C ATOM 1225 O ILE A 76 14.912 7.354 9.706 1.00 32.41 O ATOM 1226 CB ILE A 76 14.774 5.618 7.278 1.00 4.45 C ATOM 1227 CG1 ILE A 76 15.559 4.807 6.246 1.00 71.43 C ATOM 1228 CG2 ILE A 76 13.293 5.637 6.932 1.00 62.42 C ATOM 1229 CD1 ILE A 76 15.038 3.398 6.062 1.00 41.41 C ATOM 0 H ILE A 76 17.159 6.608 8.268 1.00 2.12 H new ATOM 0 HA ILE A 76 15.054 7.591 6.450 1.00 72.14 H new ATOM 0 HB ILE A 76 14.893 5.142 8.252 1.00 4.45 H new ATOM 0 HG12 ILE A 76 15.527 5.326 5.288 1.00 71.43 H new ATOM 0 HG13 ILE A 76 16.605 4.762 6.550 1.00 71.43 H new ATOM 0 HG21 ILE A 76 12.919 4.615 6.878 1.00 62.42 H new ATOM 0 HG22 ILE A 76 12.747 6.183 7.701 1.00 62.42 H new ATOM 0 HG23 ILE A 76 13.151 6.127 5.969 1.00 62.42 H new ATOM 0 HD11 ILE A 76 15.642 2.881 5.316 1.00 41.41 H new ATOM 0 HD12 ILE A 76 15.095 2.862 7.010 1.00 41.41 H new ATOM 0 HD13 ILE A 76 14.001 3.434 5.728 1.00 41.41 H new ATOM 1241 N ILE A 77 13.937 8.810 8.294 1.00 13.14 N ATOM 1242 CA ILE A 77 13.282 9.567 9.354 1.00 4.13 C ATOM 1243 C ILE A 77 11.765 9.494 9.226 1.00 73.42 C ATOM 1244 O ILE A 77 11.041 9.659 10.207 1.00 12.31 O ATOM 1245 CB ILE A 77 13.717 11.045 9.341 1.00 35.31 C ATOM 1246 CG1 ILE A 77 15.235 11.154 9.489 1.00 4.05 C ATOM 1247 CG2 ILE A 77 13.014 11.813 10.450 1.00 12.13 C ATOM 1248 CD1 ILE A 77 15.760 12.562 9.316 1.00 13.34 C ATOM 0 H ILE A 77 13.755 9.158 7.353 1.00 13.14 H new ATOM 0 HA ILE A 77 13.586 9.115 10.298 1.00 4.13 H new ATOM 0 HB ILE A 77 13.432 11.484 8.385 1.00 35.31 H new ATOM 0 HG12 ILE A 77 15.523 10.786 10.474 1.00 4.05 H new ATOM 0 HG13 ILE A 77 15.711 10.505 8.754 1.00 4.05 H new ATOM 0 HG21 ILE A 77 13.331 12.856 10.428 1.00 12.13 H new ATOM 0 HG22 ILE A 77 11.935 11.759 10.303 1.00 12.13 H new ATOM 0 HG23 ILE A 77 13.271 11.376 11.415 1.00 12.13 H new ATOM 0 HD11 ILE A 77 16.844 12.563 9.434 1.00 13.34 H new ATOM 0 HD12 ILE A 77 15.503 12.927 8.321 1.00 13.34 H new ATOM 0 HD13 ILE A 77 15.312 13.212 10.068 1.00 13.34 H new ATOM 1260 N GLN A 78 11.291 9.243 8.010 1.00 73.52 N ATOM 1261 CA GLN A 78 9.859 9.146 7.754 1.00 75.24 C ATOM 1262 C GLN A 78 9.240 7.999 8.546 1.00 61.43 C ATOM 1263 O GLN A 78 8.186 8.154 9.162 1.00 31.15 O ATOM 1264 CB GLN A 78 9.599 8.948 6.259 1.00 34.22 C ATOM 1265 CG GLN A 78 9.416 10.250 5.496 1.00 74.42 C ATOM 1266 CD GLN A 78 10.505 11.260 5.796 1.00 50.21 C ATOM 1267 OE1 GLN A 78 10.242 12.326 6.354 1.00 25.23 O ATOM 1268 NE2 GLN A 78 11.737 10.930 5.426 1.00 10.51 N ATOM 0 H GLN A 78 11.877 9.103 7.187 1.00 73.52 H new ATOM 0 HA GLN A 78 9.394 10.078 8.076 1.00 75.24 H new ATOM 0 HB2 GLN A 78 10.432 8.395 5.824 1.00 34.22 H new ATOM 0 HB3 GLN A 78 8.708 8.334 6.132 1.00 34.22 H new ATOM 0 HG2 GLN A 78 9.404 10.041 4.426 1.00 74.42 H new ATOM 0 HG3 GLN A 78 8.447 10.681 5.747 1.00 74.42 H new ATOM 0 HE21 GLN A 78 11.909 10.036 4.966 1.00 10.51 H new ATOM 0 HE22 GLN A 78 12.511 11.571 5.602 1.00 10.51 H new ATOM 1277 N PHE A 79 9.902 6.847 8.524 1.00 23.32 N ATOM 1278 CA PHE A 79 9.417 5.672 9.239 1.00 12.34 C ATOM 1279 C PHE A 79 9.357 5.936 10.741 1.00 2.22 C ATOM 1280 O PHE A 79 8.402 5.547 11.412 1.00 20.51 O ATOM 1281 CB PHE A 79 10.318 4.468 8.957 1.00 10.42 C ATOM 1282 CG PHE A 79 9.579 3.283 8.406 1.00 70.41 C ATOM 1283 CD1 PHE A 79 8.387 2.866 8.976 1.00 13.42 C ATOM 1284 CD2 PHE A 79 10.076 2.585 7.317 1.00 22.43 C ATOM 1285 CE1 PHE A 79 7.705 1.775 8.471 1.00 2.24 C ATOM 1286 CE2 PHE A 79 9.399 1.493 6.808 1.00 72.32 C ATOM 1287 CZ PHE A 79 8.211 1.088 7.385 1.00 2.21 C ATOM 0 H PHE A 79 10.776 6.702 8.019 1.00 23.32 H new ATOM 0 HA PHE A 79 8.409 5.453 8.885 1.00 12.34 H new ATOM 0 HB2 PHE A 79 11.094 4.763 8.251 1.00 10.42 H new ATOM 0 HB3 PHE A 79 10.820 4.176 9.879 1.00 10.42 H new ATOM 0 HD1 PHE A 79 7.986 3.400 9.825 1.00 13.42 H new ATOM 0 HD2 PHE A 79 11.003 2.898 6.861 1.00 22.43 H new ATOM 0 HE1 PHE A 79 6.777 1.460 8.925 1.00 2.24 H new ATOM 0 HE2 PHE A 79 9.798 0.957 5.960 1.00 72.32 H new ATOM 0 HZ PHE A 79 7.679 0.236 6.988 1.00 2.21 H new ATOM 1297 N GLN A 80 10.385 6.600 11.261 1.00 70.25 N ATOM 1298 CA GLN A 80 10.450 6.915 12.683 1.00 62.42 C ATOM 1299 C GLN A 80 9.209 7.680 13.128 1.00 35.14 C ATOM 1300 O GLN A 80 8.558 7.311 14.107 1.00 41.43 O ATOM 1301 CB GLN A 80 11.706 7.734 12.988 1.00 35.43 C ATOM 1302 CG GLN A 80 12.995 7.053 12.559 1.00 3.10 C ATOM 1303 CD GLN A 80 14.201 7.965 12.671 1.00 24.44 C ATOM 1304 OE1 GLN A 80 14.087 9.183 12.538 1.00 5.53 O ATOM 1305 NE2 GLN A 80 15.367 7.377 12.918 1.00 54.41 N ATOM 0 H GLN A 80 11.184 6.930 10.719 1.00 70.25 H new ATOM 0 HA GLN A 80 10.493 5.977 13.236 1.00 62.42 H new ATOM 0 HB2 GLN A 80 11.631 8.699 12.487 1.00 35.43 H new ATOM 0 HB3 GLN A 80 11.749 7.933 14.059 1.00 35.43 H new ATOM 0 HG2 GLN A 80 13.156 6.167 13.174 1.00 3.10 H new ATOM 0 HG3 GLN A 80 12.896 6.712 11.528 1.00 3.10 H new ATOM 0 HE21 GLN A 80 15.415 6.363 13.021 1.00 54.41 H new ATOM 0 HE22 GLN A 80 16.214 7.939 13.005 1.00 54.41 H new ATOM 1314 N ASP A 81 8.886 8.746 12.405 1.00 13.31 N ATOM 1315 CA ASP A 81 7.721 9.564 12.726 1.00 62.45 C ATOM 1316 C ASP A 81 6.432 8.773 12.529 1.00 34.45 C ATOM 1317 O ASP A 81 5.453 8.974 13.248 1.00 54.41 O ATOM 1318 CB ASP A 81 7.700 10.822 11.856 1.00 34.31 C ATOM 1319 CG ASP A 81 6.486 11.690 12.125 1.00 45.34 C ATOM 1320 OD1 ASP A 81 6.090 11.807 13.303 1.00 72.32 O ATOM 1321 OD2 ASP A 81 5.933 12.253 11.156 1.00 21.05 O ATOM 0 H ASP A 81 9.414 9.065 11.593 1.00 13.31 H new ATOM 0 HA ASP A 81 7.790 9.857 13.774 1.00 62.45 H new ATOM 0 HB2 ASP A 81 8.605 11.401 12.038 1.00 34.31 H new ATOM 0 HB3 ASP A 81 7.712 10.534 10.805 1.00 34.31 H new ATOM 1326 N SER A 82 6.438 7.873 11.551 1.00 23.54 N ATOM 1327 CA SER A 82 5.268 7.054 11.257 1.00 14.54 C ATOM 1328 C SER A 82 4.994 6.070 12.390 1.00 25.32 C ATOM 1329 O SER A 82 3.860 5.931 12.848 1.00 0.41 O ATOM 1330 CB SER A 82 5.466 6.296 9.944 1.00 61.23 C ATOM 1331 OG SER A 82 5.757 7.186 8.880 1.00 61.41 O ATOM 0 H SER A 82 7.241 7.692 10.948 1.00 23.54 H new ATOM 0 HA SER A 82 4.408 7.716 11.159 1.00 14.54 H new ATOM 0 HB2 SER A 82 6.279 5.578 10.054 1.00 61.23 H new ATOM 0 HB3 SER A 82 4.567 5.726 9.710 1.00 61.23 H new ATOM 0 HG SER A 82 6.662 7.544 8.992 1.00 61.41 H new ATOM 1337 N PHE A 83 6.043 5.387 12.838 1.00 41.20 N ATOM 1338 CA PHE A 83 5.918 4.414 13.917 1.00 71.13 C ATOM 1339 C PHE A 83 5.801 5.112 15.268 1.00 14.24 C ATOM 1340 O PHE A 83 5.303 4.537 16.235 1.00 14.33 O ATOM 1341 CB PHE A 83 7.121 3.468 13.921 1.00 13.21 C ATOM 1342 CG PHE A 83 6.892 2.203 13.145 1.00 55.14 C ATOM 1343 CD1 PHE A 83 5.779 1.415 13.392 1.00 24.40 C ATOM 1344 CD2 PHE A 83 7.789 1.802 12.168 1.00 55.23 C ATOM 1345 CE1 PHE A 83 5.565 0.250 12.679 1.00 23.00 C ATOM 1346 CE2 PHE A 83 7.579 0.639 11.451 1.00 24.12 C ATOM 1347 CZ PHE A 83 6.467 -0.139 11.708 1.00 2.20 C ATOM 0 H PHE A 83 6.989 5.490 12.470 1.00 41.20 H new ATOM 0 HA PHE A 83 5.010 3.835 13.747 1.00 71.13 H new ATOM 0 HB2 PHE A 83 7.984 3.989 13.505 1.00 13.21 H new ATOM 0 HB3 PHE A 83 7.369 3.213 14.951 1.00 13.21 H new ATOM 0 HD1 PHE A 83 5.071 1.714 14.150 1.00 24.40 H new ATOM 0 HD2 PHE A 83 8.662 2.405 11.964 1.00 55.23 H new ATOM 0 HE1 PHE A 83 4.694 -0.355 12.881 1.00 23.00 H new ATOM 0 HE2 PHE A 83 8.284 0.339 10.690 1.00 24.12 H new ATOM 0 HZ PHE A 83 6.303 -1.050 11.151 1.00 2.20 H new ATOM 1357 N GLY A 84 6.264 6.357 15.327 1.00 24.01 N ATOM 1358 CA GLY A 84 6.203 7.114 16.564 1.00 64.31 C ATOM 1359 C GLY A 84 4.839 7.731 16.799 1.00 20.45 C ATOM 1360 O GLY A 84 4.374 7.814 17.937 1.00 64.53 O ATOM 0 H GLY A 84 6.680 6.855 14.540 1.00 24.01 H new ATOM 0 HA2 GLY A 84 6.451 6.459 17.400 1.00 64.31 H new ATOM 0 HA3 GLY A 84 6.956 7.902 16.542 1.00 64.31 H new ATOM 1364 N LYS A 85 4.195 8.167 15.722 1.00 33.24 N ATOM 1365 CA LYS A 85 2.875 8.780 15.816 1.00 43.33 C ATOM 1366 C LYS A 85 1.829 7.757 16.247 1.00 50.53 C ATOM 1367 O LYS A 85 0.734 8.119 16.678 1.00 71.31 O ATOM 1368 CB LYS A 85 2.480 9.395 14.471 1.00 33.31 C ATOM 1369 CG LYS A 85 2.350 8.376 13.352 1.00 51.44 C ATOM 1370 CD LYS A 85 1.470 8.894 12.226 1.00 32.13 C ATOM 1371 CE LYS A 85 2.046 10.156 11.604 1.00 50.43 C ATOM 1372 NZ LYS A 85 1.288 10.573 10.392 1.00 72.14 N ATOM 0 H LYS A 85 4.566 8.107 14.774 1.00 33.24 H new ATOM 0 HA LYS A 85 2.919 9.566 16.570 1.00 43.33 H new ATOM 0 HB2 LYS A 85 1.532 9.920 14.585 1.00 33.31 H new ATOM 0 HB3 LYS A 85 3.224 10.140 14.189 1.00 33.31 H new ATOM 0 HG2 LYS A 85 3.339 8.135 12.961 1.00 51.44 H new ATOM 0 HG3 LYS A 85 1.930 7.451 13.748 1.00 51.44 H new ATOM 0 HD2 LYS A 85 1.366 8.125 11.461 1.00 32.13 H new ATOM 0 HD3 LYS A 85 0.470 9.100 12.609 1.00 32.13 H new ATOM 0 HE2 LYS A 85 2.030 10.962 12.337 1.00 50.43 H new ATOM 0 HE3 LYS A 85 3.090 9.987 11.339 1.00 50.43 H new ATOM 0 HZ1 LYS A 85 1.712 11.437 9.998 1.00 72.14 H new ATOM 0 HZ2 LYS A 85 1.324 9.814 9.682 1.00 72.14 H new ATOM 0 HZ3 LYS A 85 0.298 10.760 10.649 1.00 72.14 H new ATOM 1386 N VAL A 86 2.174 6.479 16.129 1.00 53.14 N ATOM 1387 CA VAL A 86 1.265 5.404 16.509 1.00 61.05 C ATOM 1388 C VAL A 86 1.773 4.666 17.742 1.00 34.30 C ATOM 1389 O VAL A 86 0.990 4.105 18.508 1.00 73.51 O ATOM 1390 CB VAL A 86 1.079 4.395 15.360 1.00 34.41 C ATOM 1391 CG1 VAL A 86 0.460 5.073 14.148 1.00 51.44 C ATOM 1392 CG2 VAL A 86 2.407 3.747 14.999 1.00 1.51 C ATOM 0 H VAL A 86 3.076 6.163 15.773 1.00 53.14 H new ATOM 0 HA VAL A 86 0.304 5.866 16.736 1.00 61.05 H new ATOM 0 HB VAL A 86 0.398 3.612 15.695 1.00 34.41 H new ATOM 0 HG11 VAL A 86 0.337 4.344 13.347 1.00 51.44 H new ATOM 0 HG12 VAL A 86 -0.513 5.484 14.418 1.00 51.44 H new ATOM 0 HG13 VAL A 86 1.112 5.878 13.809 1.00 51.44 H new ATOM 0 HG21 VAL A 86 2.256 3.037 14.186 1.00 1.51 H new ATOM 0 HG22 VAL A 86 3.113 4.515 14.684 1.00 1.51 H new ATOM 0 HG23 VAL A 86 2.805 3.223 15.868 1.00 1.51 H new ATOM 1402 N ALA A 87 3.088 4.671 17.928 1.00 25.22 N ATOM 1403 CA ALA A 87 3.701 4.004 19.070 1.00 30.33 C ATOM 1404 C ALA A 87 3.034 4.426 20.375 1.00 21.21 C ATOM 1405 O ALA A 87 2.600 3.585 21.161 1.00 32.25 O ATOM 1406 CB ALA A 87 5.192 4.301 19.117 1.00 25.44 C ATOM 0 H ALA A 87 3.750 5.130 17.302 1.00 25.22 H new ATOM 0 HA ALA A 87 3.560 2.930 18.951 1.00 30.33 H new ATOM 0 HB1 ALA A 87 5.637 3.796 19.975 1.00 25.44 H new ATOM 0 HB2 ALA A 87 5.663 3.944 18.201 1.00 25.44 H new ATOM 0 HB3 ALA A 87 5.346 5.376 19.208 1.00 25.44 H new ATOM 1412 N ALA A 88 2.957 5.734 20.599 1.00 62.51 N ATOM 1413 CA ALA A 88 2.342 6.267 21.808 1.00 60.21 C ATOM 1414 C ALA A 88 0.905 5.777 21.955 1.00 65.21 C ATOM 1415 O ALA A 88 0.400 5.635 23.068 1.00 71.33 O ATOM 1416 CB ALA A 88 2.384 7.788 21.795 1.00 63.40 C ATOM 0 H ALA A 88 3.313 6.444 19.959 1.00 62.51 H new ATOM 0 HA ALA A 88 2.911 5.906 22.665 1.00 60.21 H new ATOM 0 HB1 ALA A 88 1.921 8.173 22.704 1.00 63.40 H new ATOM 0 HB2 ALA A 88 3.420 8.123 21.746 1.00 63.40 H new ATOM 0 HB3 ALA A 88 1.841 8.160 20.926 1.00 63.40 H new ATOM 1422 N GLU A 89 0.254 5.521 20.825 1.00 54.21 N ATOM 1423 CA GLU A 89 -1.126 5.049 20.830 1.00 61.33 C ATOM 1424 C GLU A 89 -1.195 3.575 21.219 1.00 22.05 C ATOM 1425 O GLU A 89 -1.871 3.206 22.180 1.00 2.20 O ATOM 1426 CB GLU A 89 -1.763 5.254 19.454 1.00 55.10 C ATOM 1427 CG GLU A 89 -3.283 5.232 19.478 1.00 64.53 C ATOM 1428 CD GLU A 89 -3.881 6.579 19.834 1.00 25.30 C ATOM 1429 OE1 GLU A 89 -3.194 7.603 19.640 1.00 42.30 O ATOM 1430 OE2 GLU A 89 -5.036 6.608 20.307 1.00 71.40 O ATOM 0 H GLU A 89 0.659 5.632 19.895 1.00 54.21 H new ATOM 0 HA GLU A 89 -1.679 5.629 21.569 1.00 61.33 H new ATOM 0 HB2 GLU A 89 -1.428 6.208 19.046 1.00 55.10 H new ATOM 0 HB3 GLU A 89 -1.407 4.476 18.779 1.00 55.10 H new ATOM 0 HG2 GLU A 89 -3.653 4.921 18.501 1.00 64.53 H new ATOM 0 HG3 GLU A 89 -3.620 4.487 20.199 1.00 64.53 H new ATOM 1437 N VAL A 90 -0.491 2.736 20.466 1.00 4.12 N ATOM 1438 CA VAL A 90 -0.471 1.303 20.732 1.00 24.31 C ATOM 1439 C VAL A 90 0.008 1.013 22.150 1.00 3.43 C ATOM 1440 O VAL A 90 -0.537 0.148 22.837 1.00 4.21 O ATOM 1441 CB VAL A 90 0.437 0.559 19.734 1.00 52.31 C ATOM 1442 CG1 VAL A 90 -0.172 0.582 18.340 1.00 24.40 C ATOM 1443 CG2 VAL A 90 1.831 1.168 19.726 1.00 13.40 C ATOM 0 H VAL A 90 0.073 3.024 19.667 1.00 4.12 H new ATOM 0 HA VAL A 90 -1.495 0.946 20.617 1.00 24.31 H new ATOM 0 HB VAL A 90 0.522 -0.480 20.051 1.00 52.31 H new ATOM 0 HG11 VAL A 90 0.483 0.052 17.648 1.00 24.40 H new ATOM 0 HG12 VAL A 90 -1.147 0.096 18.361 1.00 24.40 H new ATOM 0 HG13 VAL A 90 -0.288 1.615 18.011 1.00 24.40 H new ATOM 0 HG21 VAL A 90 2.459 0.630 19.016 1.00 13.40 H new ATOM 0 HG22 VAL A 90 1.768 2.216 19.434 1.00 13.40 H new ATOM 0 HG23 VAL A 90 2.266 1.094 20.723 1.00 13.40 H new ATOM 1453 N LEU A 91 1.030 1.743 22.584 1.00 62.01 N ATOM 1454 CA LEU A 91 1.583 1.566 23.922 1.00 25.31 C ATOM 1455 C LEU A 91 0.500 1.722 24.984 1.00 30.43 C ATOM 1456 O LEU A 91 0.399 0.913 25.906 1.00 4.43 O ATOM 1457 CB LEU A 91 2.705 2.576 24.169 1.00 22.14 C ATOM 1458 CG LEU A 91 4.131 2.035 24.060 1.00 44.32 C ATOM 1459 CD1 LEU A 91 4.664 2.216 22.647 1.00 53.52 C ATOM 1460 CD2 LEU A 91 5.041 2.723 25.067 1.00 44.42 C ATOM 0 H LEU A 91 1.492 2.463 22.029 1.00 62.01 H new ATOM 0 HA LEU A 91 1.989 0.557 23.990 1.00 25.31 H new ATOM 0 HB2 LEU A 91 2.593 3.394 23.458 1.00 22.14 H new ATOM 0 HB3 LEU A 91 2.573 2.999 25.165 1.00 22.14 H new ATOM 0 HG LEU A 91 4.113 0.969 24.286 1.00 44.32 H new ATOM 0 HD11 LEU A 91 5.680 1.825 22.588 1.00 53.52 H new ATOM 0 HD12 LEU A 91 4.027 1.677 21.946 1.00 53.52 H new ATOM 0 HD13 LEU A 91 4.668 3.276 22.393 1.00 53.52 H new ATOM 0 HD21 LEU A 91 6.052 2.325 24.975 1.00 44.42 H new ATOM 0 HD22 LEU A 91 5.054 3.795 24.873 1.00 44.42 H new ATOM 0 HD23 LEU A 91 4.670 2.542 26.076 1.00 44.42 H new ATOM 1472 N GLY A 92 -0.311 2.766 24.847 1.00 40.44 N ATOM 1473 CA GLY A 92 -1.378 3.008 25.800 1.00 1.01 C ATOM 1474 C GLY A 92 -2.401 1.890 25.822 1.00 62.55 C ATOM 1475 O GLY A 92 -3.017 1.622 26.853 1.00 2.44 O ATOM 0 H GLY A 92 -0.248 3.449 24.092 1.00 40.44 H new ATOM 0 HA2 GLY A 92 -0.951 3.125 26.796 1.00 1.01 H new ATOM 0 HA3 GLY A 92 -1.875 3.946 25.554 1.00 1.01 H new ATOM 1479 N ARG A 93 -2.583 1.235 24.679 1.00 15.04 N ATOM 1480 CA ARG A 93 -3.541 0.141 24.570 1.00 12.24 C ATOM 1481 C ARG A 93 -2.955 -1.153 25.128 1.00 44.52 C ATOM 1482 O ARG A 93 -3.542 -1.783 26.008 1.00 64.03 O ATOM 1483 CB ARG A 93 -3.954 -0.060 23.111 1.00 24.41 C ATOM 1484 CG ARG A 93 -5.182 0.739 22.709 1.00 12.34 C ATOM 1485 CD ARG A 93 -6.426 0.253 23.437 1.00 62.11 C ATOM 1486 NE ARG A 93 -7.649 0.579 22.709 1.00 42.44 N ATOM 1487 CZ ARG A 93 -8.859 0.558 23.257 1.00 64.33 C ATOM 1488 NH1 ARG A 93 -9.006 0.227 24.532 1.00 13.22 N ATOM 1489 NH2 ARG A 93 -9.924 0.868 22.529 1.00 61.53 N ATOM 0 H ARG A 93 -2.080 1.443 23.816 1.00 15.04 H new ATOM 0 HA ARG A 93 -4.422 0.403 25.157 1.00 12.24 H new ATOM 0 HB2 ARG A 93 -3.122 0.220 22.465 1.00 24.41 H new ATOM 0 HB3 ARG A 93 -4.148 -1.119 22.940 1.00 24.41 H new ATOM 0 HG2 ARG A 93 -5.019 1.794 22.929 1.00 12.34 H new ATOM 0 HG3 ARG A 93 -5.334 0.658 21.633 1.00 12.34 H new ATOM 0 HD2 ARG A 93 -6.365 -0.826 23.578 1.00 62.11 H new ATOM 0 HD3 ARG A 93 -6.464 0.703 24.429 1.00 62.11 H new ATOM 0 HE ARG A 93 -7.570 0.837 21.725 1.00 42.44 H new ATOM 0 HH11 ARG A 93 -8.189 -0.012 25.094 1.00 13.22 H new ATOM 0 HH12 ARG A 93 -9.936 0.211 24.951 1.00 13.22 H new ATOM 0 HH21 ARG A 93 -9.814 1.123 21.547 1.00 61.53 H new ATOM 0 HH22 ARG A 93 -10.853 0.851 22.951 1.00 61.53 H new ATOM 1503 N ILE A 94 -1.795 -1.542 24.609 1.00 2.33 N ATOM 1504 CA ILE A 94 -1.129 -2.759 25.056 1.00 74.45 C ATOM 1505 C ILE A 94 -0.743 -2.667 26.528 1.00 51.22 C ATOM 1506 O ILE A 94 -0.617 -3.681 27.212 1.00 74.52 O ATOM 1507 CB ILE A 94 0.133 -3.049 24.222 1.00 2.43 C ATOM 1508 CG1 ILE A 94 1.208 -1.997 24.503 1.00 1.51 C ATOM 1509 CG2 ILE A 94 -0.207 -3.084 22.740 1.00 50.31 C ATOM 1510 CD1 ILE A 94 2.475 -2.198 23.702 1.00 70.25 C ATOM 0 H ILE A 94 -1.297 -1.032 23.879 1.00 2.33 H new ATOM 0 HA ILE A 94 -1.839 -3.575 24.921 1.00 74.45 H new ATOM 0 HB ILE A 94 0.523 -4.026 24.508 1.00 2.43 H new ATOM 0 HG12 ILE A 94 0.803 -1.009 24.285 1.00 1.51 H new ATOM 0 HG13 ILE A 94 1.453 -2.014 25.565 1.00 1.51 H new ATOM 0 HG21 ILE A 94 0.695 -3.290 22.164 1.00 50.31 H new ATOM 0 HG22 ILE A 94 -0.943 -3.867 22.554 1.00 50.31 H new ATOM 0 HG23 ILE A 94 -0.618 -2.121 22.438 1.00 50.31 H new ATOM 0 HD11 ILE A 94 3.192 -1.416 23.953 1.00 70.25 H new ATOM 0 HD12 ILE A 94 2.904 -3.172 23.937 1.00 70.25 H new ATOM 0 HD13 ILE A 94 2.244 -2.151 22.638 1.00 70.25 H new ATOM 1522 N ASN A 95 -0.558 -1.442 27.009 1.00 2.14 N ATOM 1523 CA ASN A 95 -0.187 -1.216 28.402 1.00 71.13 C ATOM 1524 C ASN A 95 -1.212 -1.838 29.345 1.00 11.23 C ATOM 1525 O ASN A 95 -0.875 -2.263 30.450 1.00 40.40 O ATOM 1526 CB ASN A 95 -0.063 0.283 28.681 1.00 12.04 C ATOM 1527 CG ASN A 95 0.099 0.584 30.159 1.00 64.11 C ATOM 1528 OD1 ASN A 95 0.958 0.011 30.830 1.00 72.43 O ATOM 1529 ND2 ASN A 95 -0.727 1.487 30.673 1.00 52.31 N ATOM 0 H ASN A 95 -0.659 -0.591 26.456 1.00 2.14 H new ATOM 0 HA ASN A 95 0.778 -1.692 28.578 1.00 71.13 H new ATOM 0 HB2 ASN A 95 0.792 0.682 28.136 1.00 12.04 H new ATOM 0 HB3 ASN A 95 -0.948 0.795 28.304 1.00 12.04 H new ATOM 0 HD21 ASN A 95 -0.665 1.731 31.661 1.00 52.31 H new ATOM 0 HD22 ASN A 95 -1.424 1.937 30.080 1.00 52.31 H new ATOM 1536 N GLN A 96 -2.464 -1.888 28.901 1.00 43.42 N ATOM 1537 CA GLN A 96 -3.538 -2.457 29.706 1.00 64.41 C ATOM 1538 C GLN A 96 -3.563 -3.977 29.582 1.00 73.31 C ATOM 1539 O GLN A 96 -3.668 -4.689 30.580 1.00 10.44 O ATOM 1540 CB GLN A 96 -4.887 -1.876 29.279 1.00 22.23 C ATOM 1541 CG GLN A 96 -5.010 -0.381 29.524 1.00 43.12 C ATOM 1542 CD GLN A 96 -6.380 0.158 29.165 1.00 52.41 C ATOM 1543 OE1 GLN A 96 -7.376 -0.165 29.813 1.00 54.35 O ATOM 1544 NE2 GLN A 96 -6.438 0.986 28.128 1.00 72.21 N ATOM 0 H GLN A 96 -2.759 -1.541 27.988 1.00 43.42 H new ATOM 0 HA GLN A 96 -3.353 -2.198 30.749 1.00 64.41 H new ATOM 0 HB2 GLN A 96 -5.040 -2.076 28.218 1.00 22.23 H new ATOM 0 HB3 GLN A 96 -5.682 -2.391 29.818 1.00 22.23 H new ATOM 0 HG2 GLN A 96 -4.805 -0.171 30.574 1.00 43.12 H new ATOM 0 HG3 GLN A 96 -4.253 0.143 28.940 1.00 43.12 H new ATOM 0 HE21 GLN A 96 -5.587 1.227 27.619 1.00 72.21 H new ATOM 0 HE22 GLN A 96 -7.333 1.381 27.840 1.00 72.21 H new ATOM 1553 N GLU A 97 -3.467 -4.467 28.350 1.00 74.41 N ATOM 1554 CA GLU A 97 -3.481 -5.903 28.097 1.00 70.35 C ATOM 1555 C GLU A 97 -2.178 -6.550 28.558 1.00 43.55 C ATOM 1556 O GLU A 97 -2.075 -7.773 28.643 1.00 21.41 O ATOM 1557 CB GLU A 97 -3.701 -6.179 26.608 1.00 40.14 C ATOM 1558 CG GLU A 97 -5.123 -5.915 26.143 1.00 15.14 C ATOM 1559 CD GLU A 97 -5.987 -7.161 26.172 1.00 13.12 C ATOM 1560 OE1 GLU A 97 -5.490 -8.237 25.780 1.00 33.34 O ATOM 1561 OE2 GLU A 97 -7.161 -7.059 26.587 1.00 2.12 O ATOM 0 H GLU A 97 -3.379 -3.891 27.513 1.00 74.41 H new ATOM 0 HA GLU A 97 -4.303 -6.338 28.665 1.00 70.35 H new ATOM 0 HB2 GLU A 97 -3.017 -5.560 26.028 1.00 40.14 H new ATOM 0 HB3 GLU A 97 -3.446 -7.218 26.398 1.00 40.14 H new ATOM 0 HG2 GLU A 97 -5.573 -5.151 26.777 1.00 15.14 H new ATOM 0 HG3 GLU A 97 -5.102 -5.516 25.129 1.00 15.14 H new ATOM 1568 N PHE A 98 -1.184 -5.718 28.853 1.00 70.03 N ATOM 1569 CA PHE A 98 0.114 -6.207 29.303 1.00 33.14 C ATOM 1570 C PHE A 98 0.158 -6.310 30.825 1.00 14.22 C ATOM 1571 O PHE A 98 0.159 -5.308 31.541 1.00 42.24 O ATOM 1572 CB PHE A 98 1.230 -5.283 28.811 1.00 73.40 C ATOM 1573 CG PHE A 98 1.679 -5.581 27.409 1.00 23.01 C ATOM 1574 CD1 PHE A 98 0.820 -6.185 26.505 1.00 23.45 C ATOM 1575 CD2 PHE A 98 2.961 -5.257 26.995 1.00 3.11 C ATOM 1576 CE1 PHE A 98 1.231 -6.460 25.215 1.00 73.35 C ATOM 1577 CE2 PHE A 98 3.377 -5.529 25.705 1.00 21.05 C ATOM 1578 CZ PHE A 98 2.511 -6.133 24.814 1.00 3.55 C ATOM 0 H PHE A 98 -1.253 -4.702 28.788 1.00 70.03 H new ATOM 0 HA PHE A 98 0.265 -7.202 28.884 1.00 33.14 H new ATOM 0 HB2 PHE A 98 0.885 -4.250 28.862 1.00 73.40 H new ATOM 0 HB3 PHE A 98 2.084 -5.367 29.483 1.00 73.40 H new ATOM 0 HD1 PHE A 98 -0.182 -6.444 26.812 1.00 23.45 H new ATOM 0 HD2 PHE A 98 3.643 -4.787 27.688 1.00 3.11 H new ATOM 0 HE1 PHE A 98 0.551 -6.931 24.520 1.00 73.35 H new ATOM 0 HE2 PHE A 98 4.378 -5.270 25.394 1.00 21.05 H new ATOM 0 HZ PHE A 98 2.834 -6.349 23.806 1.00 3.55 H new ATOM 1588 N PRO A 99 0.194 -7.551 31.333 1.00 14.32 N ATOM 1589 CA PRO A 99 0.238 -7.815 32.774 1.00 20.23 C ATOM 1590 C PRO A 99 1.572 -7.417 33.396 1.00 41.40 C ATOM 1591 O PRO A 99 2.466 -6.924 32.707 1.00 20.34 O ATOM 1592 CB PRO A 99 0.038 -9.330 32.863 1.00 20.23 C ATOM 1593 CG PRO A 99 0.518 -9.853 31.554 1.00 62.24 C ATOM 1594 CD PRO A 99 0.194 -8.791 30.540 1.00 62.24 C ATOM 0 HA PRO A 99 -0.512 -7.239 33.317 1.00 20.23 H new ATOM 0 HB2 PRO A 99 0.604 -9.756 33.691 1.00 20.23 H new ATOM 0 HB3 PRO A 99 -1.009 -9.582 33.030 1.00 20.23 H new ATOM 0 HG2 PRO A 99 1.589 -10.052 31.582 1.00 62.24 H new ATOM 0 HG3 PRO A 99 0.026 -10.793 31.305 1.00 62.24 H new ATOM 0 HD2 PRO A 99 0.936 -8.758 29.742 1.00 62.24 H new ATOM 0 HD3 PRO A 99 -0.773 -8.967 30.069 1.00 62.24 H new ATOM 1602 N ARG A 100 1.700 -7.633 34.701 1.00 13.20 N ATOM 1603 CA ARG A 100 2.925 -7.295 35.415 1.00 21.22 C ATOM 1604 C ARG A 100 4.130 -7.988 34.785 1.00 31.04 C ATOM 1605 O ARG A 100 5.262 -7.519 34.907 1.00 72.11 O ATOM 1606 CB ARG A 100 2.808 -7.691 36.888 1.00 32.41 C ATOM 1607 CG ARG A 100 2.546 -9.173 37.101 1.00 34.32 C ATOM 1608 CD ARG A 100 2.119 -9.464 38.532 1.00 55.55 C ATOM 1609 NE ARG A 100 3.263 -9.708 39.406 1.00 53.34 N ATOM 1610 CZ ARG A 100 3.159 -10.224 40.625 1.00 10.01 C ATOM 1611 NH1 ARG A 100 1.969 -10.549 41.112 1.00 64.11 N ATOM 1612 NH2 ARG A 100 4.247 -10.416 41.360 1.00 32.41 N ATOM 0 H ARG A 100 0.970 -8.041 35.285 1.00 13.20 H new ATOM 0 HA ARG A 100 3.070 -6.217 35.346 1.00 21.22 H new ATOM 0 HB2 ARG A 100 3.728 -7.415 37.404 1.00 32.41 H new ATOM 0 HB3 ARG A 100 2.002 -7.118 37.347 1.00 32.41 H new ATOM 0 HG2 ARG A 100 1.770 -9.509 36.413 1.00 34.32 H new ATOM 0 HG3 ARG A 100 3.447 -9.740 36.867 1.00 34.32 H new ATOM 0 HD2 ARG A 100 1.542 -8.623 38.916 1.00 55.55 H new ATOM 0 HD3 ARG A 100 1.462 -10.333 38.544 1.00 55.55 H new ATOM 0 HE ARG A 100 4.193 -9.469 39.061 1.00 53.34 H new ATOM 0 HH11 ARG A 100 1.131 -10.403 40.550 1.00 64.11 H new ATOM 0 HH12 ARG A 100 1.892 -10.945 42.049 1.00 64.11 H new ATOM 0 HH21 ARG A 100 5.164 -10.167 40.989 1.00 32.41 H new ATOM 0 HH22 ARG A 100 4.166 -10.812 42.296 1.00 32.41 H new ATOM 1626 N ASP A 101 3.878 -9.106 34.113 1.00 3.04 N ATOM 1627 CA ASP A 101 4.942 -9.863 33.464 1.00 71.40 C ATOM 1628 C ASP A 101 5.454 -9.131 32.228 1.00 3.51 C ATOM 1629 O ASP A 101 6.659 -8.936 32.064 1.00 45.13 O ATOM 1630 CB ASP A 101 4.442 -11.256 33.076 1.00 54.33 C ATOM 1631 CG ASP A 101 3.973 -12.058 34.274 1.00 50.50 C ATOM 1632 OD1 ASP A 101 4.765 -12.220 35.226 1.00 11.12 O ATOM 1633 OD2 ASP A 101 2.814 -12.522 34.260 1.00 1.10 O ATOM 0 H ASP A 101 2.947 -9.508 34.004 1.00 3.04 H new ATOM 0 HA ASP A 101 5.765 -9.964 34.171 1.00 71.40 H new ATOM 0 HB2 ASP A 101 3.622 -11.159 32.364 1.00 54.33 H new ATOM 0 HB3 ASP A 101 5.241 -11.798 32.570 1.00 54.33 H new ATOM 1638 N LEU A 102 4.532 -8.727 31.361 1.00 22.12 N ATOM 1639 CA LEU A 102 4.890 -8.016 30.139 1.00 63.13 C ATOM 1640 C LEU A 102 5.322 -6.586 30.447 1.00 12.11 C ATOM 1641 O LEU A 102 6.177 -6.023 29.763 1.00 11.45 O ATOM 1642 CB LEU A 102 3.709 -8.006 29.167 1.00 64.25 C ATOM 1643 CG LEU A 102 3.676 -9.139 28.140 1.00 35.00 C ATOM 1644 CD1 LEU A 102 4.959 -9.158 27.324 1.00 33.50 C ATOM 1645 CD2 LEU A 102 3.460 -10.478 28.830 1.00 11.13 C ATOM 0 H LEU A 102 3.531 -8.880 31.482 1.00 22.12 H new ATOM 0 HA LEU A 102 5.729 -8.537 29.677 1.00 63.13 H new ATOM 0 HB2 LEU A 102 2.787 -8.041 29.747 1.00 64.25 H new ATOM 0 HB3 LEU A 102 3.713 -7.057 28.631 1.00 64.25 H new ATOM 0 HG LEU A 102 2.841 -8.964 27.461 1.00 35.00 H new ATOM 0 HD11 LEU A 102 4.917 -9.971 26.599 1.00 33.50 H new ATOM 0 HD12 LEU A 102 5.071 -8.209 26.800 1.00 33.50 H new ATOM 0 HD13 LEU A 102 5.810 -9.308 27.988 1.00 33.50 H new ATOM 0 HD21 LEU A 102 3.439 -11.273 28.084 1.00 11.13 H new ATOM 0 HD22 LEU A 102 4.273 -10.661 29.532 1.00 11.13 H new ATOM 0 HD23 LEU A 102 2.512 -10.461 29.369 1.00 11.13 H new ATOM 1657 N LYS A 103 4.726 -6.004 31.482 1.00 1.04 N ATOM 1658 CA LYS A 103 5.050 -4.641 31.885 1.00 3.41 C ATOM 1659 C LYS A 103 6.560 -4.448 31.987 1.00 10.15 C ATOM 1660 O LYS A 103 7.079 -3.368 31.704 1.00 22.11 O ATOM 1661 CB LYS A 103 4.392 -4.313 33.227 1.00 15.00 C ATOM 1662 CG LYS A 103 2.923 -3.943 33.109 1.00 2.44 C ATOM 1663 CD LYS A 103 2.610 -2.659 33.859 1.00 2.41 C ATOM 1664 CE LYS A 103 1.416 -1.937 33.254 1.00 51.20 C ATOM 1665 NZ LYS A 103 0.169 -2.744 33.358 1.00 12.03 N ATOM 0 H LYS A 103 4.015 -6.456 32.057 1.00 1.04 H new ATOM 0 HA LYS A 103 4.665 -3.963 31.123 1.00 3.41 H new ATOM 0 HB2 LYS A 103 4.490 -5.173 33.890 1.00 15.00 H new ATOM 0 HB3 LYS A 103 4.930 -3.488 33.694 1.00 15.00 H new ATOM 0 HG2 LYS A 103 2.660 -3.825 32.058 1.00 2.44 H new ATOM 0 HG3 LYS A 103 2.310 -4.754 33.502 1.00 2.44 H new ATOM 0 HD2 LYS A 103 2.406 -2.888 34.905 1.00 2.41 H new ATOM 0 HD3 LYS A 103 3.481 -2.004 33.840 1.00 2.41 H new ATOM 0 HE2 LYS A 103 1.274 -0.982 33.761 1.00 51.20 H new ATOM 0 HE3 LYS A 103 1.619 -1.715 32.206 1.00 51.20 H new ATOM 0 HZ1 LYS A 103 -0.646 -2.162 33.076 1.00 12.03 H new ATOM 0 HZ2 LYS A 103 0.237 -3.571 32.731 1.00 12.03 H new ATOM 0 HZ3 LYS A 103 0.043 -3.063 34.340 1.00 12.03 H new ATOM 1679 N LYS A 104 7.260 -5.502 32.393 1.00 42.12 N ATOM 1680 CA LYS A 104 8.711 -5.450 32.530 1.00 31.50 C ATOM 1681 C LYS A 104 9.384 -5.371 31.164 1.00 62.44 C ATOM 1682 O LYS A 104 10.335 -4.614 30.971 1.00 3.44 O ATOM 1683 CB LYS A 104 9.216 -6.680 33.289 1.00 51.22 C ATOM 1684 CG LYS A 104 10.730 -6.771 33.360 1.00 63.02 C ATOM 1685 CD LYS A 104 11.241 -8.060 32.739 1.00 60.32 C ATOM 1686 CE LYS A 104 11.718 -9.040 33.800 1.00 0.43 C ATOM 1687 NZ LYS A 104 13.061 -8.673 34.330 1.00 74.00 N ATOM 0 H LYS A 104 6.846 -6.403 32.633 1.00 42.12 H new ATOM 0 HA LYS A 104 8.966 -4.552 33.093 1.00 31.50 H new ATOM 0 HB2 LYS A 104 8.814 -6.662 34.302 1.00 51.22 H new ATOM 0 HB3 LYS A 104 8.829 -7.578 32.808 1.00 51.22 H new ATOM 0 HG2 LYS A 104 11.171 -5.918 32.845 1.00 63.02 H new ATOM 0 HG3 LYS A 104 11.050 -6.715 34.400 1.00 63.02 H new ATOM 0 HD2 LYS A 104 10.449 -8.519 32.148 1.00 60.32 H new ATOM 0 HD3 LYS A 104 12.060 -7.836 32.055 1.00 60.32 H new ATOM 0 HE2 LYS A 104 10.999 -9.067 34.619 1.00 0.43 H new ATOM 0 HE3 LYS A 104 11.756 -10.044 33.376 1.00 0.43 H new ATOM 0 HZ1 LYS A 104 13.351 -9.365 35.050 1.00 74.00 H new ATOM 0 HZ2 LYS A 104 13.752 -8.672 33.553 1.00 74.00 H new ATOM 0 HZ3 LYS A 104 13.019 -7.726 34.757 1.00 74.00 H new ATOM 1701 N LYS A 105 8.884 -6.158 30.216 1.00 1.43 N ATOM 1702 CA LYS A 105 9.435 -6.175 28.866 1.00 33.14 C ATOM 1703 C LYS A 105 9.061 -4.904 28.110 1.00 61.52 C ATOM 1704 O LYS A 105 9.818 -4.429 27.262 1.00 20.02 O ATOM 1705 CB LYS A 105 8.931 -7.402 28.104 1.00 74.43 C ATOM 1706 CG LYS A 105 8.980 -8.685 28.915 1.00 22.51 C ATOM 1707 CD LYS A 105 10.407 -9.056 29.285 1.00 35.32 C ATOM 1708 CE LYS A 105 10.974 -10.103 28.338 1.00 11.15 C ATOM 1709 NZ LYS A 105 11.867 -9.497 27.312 1.00 11.24 N ATOM 0 H LYS A 105 8.098 -6.792 30.358 1.00 1.43 H new ATOM 0 HA LYS A 105 10.521 -6.224 28.943 1.00 33.14 H new ATOM 0 HB2 LYS A 105 7.905 -7.224 27.784 1.00 74.43 H new ATOM 0 HB3 LYS A 105 9.529 -7.530 27.202 1.00 74.43 H new ATOM 0 HG2 LYS A 105 8.387 -8.566 29.822 1.00 22.51 H new ATOM 0 HG3 LYS A 105 8.529 -9.496 28.343 1.00 22.51 H new ATOM 0 HD2 LYS A 105 11.034 -8.165 29.261 1.00 35.32 H new ATOM 0 HD3 LYS A 105 10.432 -9.436 30.306 1.00 35.32 H new ATOM 0 HE2 LYS A 105 11.530 -10.847 28.909 1.00 11.15 H new ATOM 0 HE3 LYS A 105 10.156 -10.627 27.844 1.00 11.15 H new ATOM 0 HZ1 LYS A 105 12.233 -10.243 26.686 1.00 11.24 H new ATOM 0 HZ2 LYS A 105 11.331 -8.806 26.750 1.00 11.24 H new ATOM 0 HZ3 LYS A 105 12.662 -9.019 27.782 1.00 11.24 H new ATOM 1723 N LEU A 106 7.891 -4.358 28.422 1.00 61.12 N ATOM 1724 CA LEU A 106 7.418 -3.141 27.772 1.00 13.32 C ATOM 1725 C LEU A 106 8.070 -1.907 28.387 1.00 41.52 C ATOM 1726 O LEU A 106 8.351 -0.930 27.692 1.00 2.13 O ATOM 1727 CB LEU A 106 5.896 -3.037 27.886 1.00 33.20 C ATOM 1728 CG LEU A 106 5.290 -1.671 27.562 1.00 72.33 C ATOM 1729 CD1 LEU A 106 3.922 -1.834 26.917 1.00 42.35 C ATOM 1730 CD2 LEU A 106 5.191 -0.820 28.819 1.00 14.20 C ATOM 0 H LEU A 106 7.253 -4.739 29.121 1.00 61.12 H new ATOM 0 HA LEU A 106 7.695 -3.190 26.719 1.00 13.32 H new ATOM 0 HB2 LEU A 106 5.451 -3.777 27.221 1.00 33.20 H new ATOM 0 HB3 LEU A 106 5.609 -3.308 28.902 1.00 33.20 H new ATOM 0 HG LEU A 106 5.945 -1.163 26.854 1.00 72.33 H new ATOM 0 HD11 LEU A 106 3.506 -0.852 26.693 1.00 42.35 H new ATOM 0 HD12 LEU A 106 4.021 -2.405 25.994 1.00 42.35 H new ATOM 0 HD13 LEU A 106 3.258 -2.362 27.601 1.00 42.35 H new ATOM 0 HD21 LEU A 106 4.758 0.149 28.569 1.00 14.20 H new ATOM 0 HD22 LEU A 106 4.558 -1.323 29.550 1.00 14.20 H new ATOM 0 HD23 LEU A 106 6.186 -0.675 29.239 1.00 14.20 H new ATOM 1742 N SER A 107 8.310 -1.959 29.693 1.00 1.21 N ATOM 1743 CA SER A 107 8.928 -0.844 30.402 1.00 63.51 C ATOM 1744 C SER A 107 10.423 -0.772 30.103 1.00 73.43 C ATOM 1745 O SER A 107 11.025 0.300 30.149 1.00 10.30 O ATOM 1746 CB SER A 107 8.705 -0.984 31.909 1.00 55.01 C ATOM 1747 OG SER A 107 9.364 0.049 32.620 1.00 24.22 O ATOM 0 H SER A 107 8.086 -2.761 30.282 1.00 1.21 H new ATOM 0 HA SER A 107 8.460 0.078 30.056 1.00 63.51 H new ATOM 0 HB2 SER A 107 7.637 -0.955 32.126 1.00 55.01 H new ATOM 0 HB3 SER A 107 9.073 -1.953 32.246 1.00 55.01 H new ATOM 0 HG SER A 107 9.205 -0.062 33.581 1.00 24.22 H new ATOM 1753 N ARG A 108 11.014 -1.922 29.796 1.00 64.10 N ATOM 1754 CA ARG A 108 12.438 -1.991 29.490 1.00 3.23 C ATOM 1755 C ARG A 108 12.695 -1.670 28.021 1.00 71.03 C ATOM 1756 O ARG A 108 13.702 -1.051 27.676 1.00 14.32 O ATOM 1757 CB ARG A 108 12.987 -3.379 29.824 1.00 73.55 C ATOM 1758 CG ARG A 108 12.524 -4.464 28.864 1.00 51.52 C ATOM 1759 CD ARG A 108 13.048 -5.831 29.273 1.00 2.03 C ATOM 1760 NE ARG A 108 14.506 -5.895 29.226 1.00 44.23 N ATOM 1761 CZ ARG A 108 15.210 -6.946 29.631 1.00 74.41 C ATOM 1762 NH1 ARG A 108 14.591 -8.017 30.111 1.00 43.51 N ATOM 1763 NH2 ARG A 108 16.534 -6.929 29.556 1.00 63.10 N ATOM 0 H ARG A 108 10.529 -2.818 29.753 1.00 64.10 H new ATOM 0 HA ARG A 108 12.951 -1.249 30.101 1.00 3.23 H new ATOM 0 HB2 ARG A 108 14.076 -3.341 29.818 1.00 73.55 H new ATOM 0 HB3 ARG A 108 12.683 -3.647 30.836 1.00 73.55 H new ATOM 0 HG2 ARG A 108 11.435 -4.485 28.835 1.00 51.52 H new ATOM 0 HG3 ARG A 108 12.865 -4.229 27.856 1.00 51.52 H new ATOM 0 HD2 ARG A 108 12.707 -6.063 30.282 1.00 2.03 H new ATOM 0 HD3 ARG A 108 12.630 -6.592 28.613 1.00 2.03 H new ATOM 0 HE ARG A 108 15.012 -5.088 28.862 1.00 44.23 H new ATOM 0 HH11 ARG A 108 13.573 -8.034 30.169 1.00 43.51 H new ATOM 0 HH12 ARG A 108 15.133 -8.823 30.421 1.00 43.51 H new ATOM 0 HH21 ARG A 108 17.013 -6.108 29.187 1.00 63.10 H new ATOM 0 HH22 ARG A 108 17.073 -7.737 29.868 1.00 63.10 H new ATOM 1777 N VAL A 109 11.778 -2.096 27.158 1.00 33.33 N ATOM 1778 CA VAL A 109 11.904 -1.854 25.726 1.00 31.30 C ATOM 1779 C VAL A 109 11.520 -0.421 25.375 1.00 71.31 C ATOM 1780 O VAL A 109 12.085 0.178 24.460 1.00 70.11 O ATOM 1781 CB VAL A 109 11.025 -2.823 24.913 1.00 30.54 C ATOM 1782 CG1 VAL A 109 9.551 -2.503 25.112 1.00 4.32 C ATOM 1783 CG2 VAL A 109 11.396 -2.770 23.439 1.00 25.32 C ATOM 0 H VAL A 109 10.939 -2.611 27.426 1.00 33.33 H new ATOM 0 HA VAL A 109 12.950 -2.021 25.468 1.00 31.30 H new ATOM 0 HB VAL A 109 11.204 -3.836 25.273 1.00 30.54 H new ATOM 0 HG11 VAL A 109 8.946 -3.198 24.530 1.00 4.32 H new ATOM 0 HG12 VAL A 109 9.297 -2.598 26.168 1.00 4.32 H new ATOM 0 HG13 VAL A 109 9.352 -1.484 24.781 1.00 4.32 H new ATOM 0 HG21 VAL A 109 10.765 -3.461 22.880 1.00 25.32 H new ATOM 0 HG22 VAL A 109 11.248 -1.758 23.063 1.00 25.32 H new ATOM 0 HG23 VAL A 109 12.441 -3.053 23.317 1.00 25.32 H new ATOM 1793 N VAL A 110 10.555 0.124 26.109 1.00 60.20 N ATOM 1794 CA VAL A 110 10.096 1.488 25.877 1.00 72.04 C ATOM 1795 C VAL A 110 11.178 2.501 26.234 1.00 60.52 C ATOM 1796 O VAL A 110 11.294 3.549 25.601 1.00 1.22 O ATOM 1797 CB VAL A 110 8.827 1.800 26.693 1.00 61.34 C ATOM 1798 CG1 VAL A 110 9.139 1.811 28.181 1.00 11.23 C ATOM 1799 CG2 VAL A 110 8.225 3.127 26.255 1.00 25.41 C ATOM 0 H VAL A 110 10.076 -0.358 26.869 1.00 60.20 H new ATOM 0 HA VAL A 110 9.865 1.567 24.815 1.00 72.04 H new ATOM 0 HB VAL A 110 8.093 1.016 26.506 1.00 61.34 H new ATOM 0 HG11 VAL A 110 8.231 2.033 28.742 1.00 11.23 H new ATOM 0 HG12 VAL A 110 9.520 0.835 28.480 1.00 11.23 H new ATOM 0 HG13 VAL A 110 9.890 2.573 28.390 1.00 11.23 H new ATOM 0 HG21 VAL A 110 7.329 3.332 26.842 1.00 25.41 H new ATOM 0 HG22 VAL A 110 8.951 3.925 26.411 1.00 25.41 H new ATOM 0 HG23 VAL A 110 7.963 3.076 25.198 1.00 25.41 H new ATOM 1809 N ASN A 111 11.969 2.178 27.252 1.00 1.51 N ATOM 1810 CA ASN A 111 13.043 3.060 27.694 1.00 2.53 C ATOM 1811 C ASN A 111 14.136 3.161 26.634 1.00 31.53 C ATOM 1812 O ASN A 111 14.836 4.169 26.544 1.00 40.53 O ATOM 1813 CB ASN A 111 13.638 2.554 29.010 1.00 50.21 C ATOM 1814 CG ASN A 111 13.015 3.222 30.221 1.00 62.13 C ATOM 1815 OD1 ASN A 111 13.687 3.940 30.961 1.00 12.33 O ATOM 1816 ND2 ASN A 111 11.725 2.987 30.428 1.00 73.45 N ATOM 0 H ASN A 111 11.887 1.313 27.786 1.00 1.51 H new ATOM 0 HA ASN A 111 12.622 4.053 27.851 1.00 2.53 H new ATOM 0 HB2 ASN A 111 13.495 1.476 29.079 1.00 50.21 H new ATOM 0 HB3 ASN A 111 14.713 2.734 29.012 1.00 50.21 H new ATOM 0 HD21 ASN A 111 11.252 3.409 31.227 1.00 73.45 H new ATOM 0 HD22 ASN A 111 11.207 2.385 29.788 1.00 73.45 H new ATOM 1823 N ILE A 112 14.275 2.108 25.835 1.00 3.30 N ATOM 1824 CA ILE A 112 15.281 2.079 24.781 1.00 62.45 C ATOM 1825 C ILE A 112 15.064 3.210 23.782 1.00 71.05 C ATOM 1826 O ILE A 112 16.018 3.839 23.322 1.00 41.10 O ATOM 1827 CB ILE A 112 15.268 0.735 24.028 1.00 24.11 C ATOM 1828 CG1 ILE A 112 15.536 -0.419 24.996 1.00 30.33 C ATOM 1829 CG2 ILE A 112 16.299 0.745 22.909 1.00 22.42 C ATOM 1830 CD1 ILE A 112 15.299 -1.784 24.389 1.00 33.44 C ATOM 0 H ILE A 112 13.704 1.265 25.898 1.00 3.30 H new ATOM 0 HA ILE A 112 16.249 2.206 25.265 1.00 62.45 H new ATOM 0 HB ILE A 112 14.282 0.592 23.586 1.00 24.11 H new ATOM 0 HG12 ILE A 112 16.567 -0.359 25.344 1.00 30.33 H new ATOM 0 HG13 ILE A 112 14.897 -0.304 25.872 1.00 30.33 H new ATOM 0 HG21 ILE A 112 16.278 -0.211 22.386 1.00 22.42 H new ATOM 0 HG22 ILE A 112 16.067 1.547 22.208 1.00 22.42 H new ATOM 0 HG23 ILE A 112 17.291 0.906 23.330 1.00 22.42 H new ATOM 0 HD11 ILE A 112 15.508 -2.554 25.132 1.00 33.44 H new ATOM 0 HD12 ILE A 112 14.261 -1.864 24.067 1.00 33.44 H new ATOM 0 HD13 ILE A 112 15.957 -1.920 23.530 1.00 33.44 H new ATOM 1842 N LEU A 113 13.803 3.465 23.450 1.00 1.23 N ATOM 1843 CA LEU A 113 13.459 4.523 22.507 1.00 40.15 C ATOM 1844 C LEU A 113 14.092 5.848 22.919 1.00 12.14 C ATOM 1845 O LEU A 113 14.501 6.644 22.074 1.00 73.14 O ATOM 1846 CB LEU A 113 11.940 4.677 22.414 1.00 11.23 C ATOM 1847 CG LEU A 113 11.192 3.544 21.710 1.00 11.35 C ATOM 1848 CD1 LEU A 113 9.725 3.542 22.113 1.00 43.54 C ATOM 1849 CD2 LEU A 113 11.333 3.670 20.200 1.00 33.35 C ATOM 0 H LEU A 113 13.002 2.953 23.820 1.00 1.23 H new ATOM 0 HA LEU A 113 13.850 4.244 21.529 1.00 40.15 H new ATOM 0 HB2 LEU A 113 11.542 4.775 23.424 1.00 11.23 H new ATOM 0 HB3 LEU A 113 11.721 5.609 21.893 1.00 11.23 H new ATOM 0 HG LEU A 113 11.633 2.596 22.018 1.00 11.35 H new ATOM 0 HD11 LEU A 113 9.209 2.729 21.602 1.00 43.54 H new ATOM 0 HD12 LEU A 113 9.644 3.403 23.191 1.00 43.54 H new ATOM 0 HD13 LEU A 113 9.270 4.493 21.835 1.00 43.54 H new ATOM 0 HD21 LEU A 113 10.795 2.856 19.715 1.00 33.35 H new ATOM 0 HD22 LEU A 113 10.918 4.624 19.874 1.00 33.35 H new ATOM 0 HD23 LEU A 113 12.387 3.621 19.928 1.00 33.35 H new ATOM 1861 N LYS A 114 14.171 6.078 24.226 1.00 44.24 N ATOM 1862 CA LYS A 114 14.758 7.305 24.753 1.00 74.23 C ATOM 1863 C LYS A 114 16.275 7.295 24.594 1.00 33.30 C ATOM 1864 O LYS A 114 16.894 8.340 24.401 1.00 0.33 O ATOM 1865 CB LYS A 114 14.390 7.477 26.228 1.00 13.31 C ATOM 1866 CG LYS A 114 12.925 7.207 26.525 1.00 12.32 C ATOM 1867 CD LYS A 114 12.449 7.989 27.738 1.00 33.44 C ATOM 1868 CE LYS A 114 12.342 9.476 27.437 1.00 63.30 C ATOM 1869 NZ LYS A 114 12.708 10.308 28.616 1.00 14.15 N ATOM 0 H LYS A 114 13.836 5.431 24.940 1.00 44.24 H new ATOM 0 HA LYS A 114 14.357 8.144 24.184 1.00 74.23 H new ATOM 0 HB2 LYS A 114 15.004 6.805 26.828 1.00 13.31 H new ATOM 0 HB3 LYS A 114 14.634 8.493 26.539 1.00 13.31 H new ATOM 0 HG2 LYS A 114 12.321 7.476 25.658 1.00 12.32 H new ATOM 0 HG3 LYS A 114 12.778 6.141 26.698 1.00 12.32 H new ATOM 0 HD2 LYS A 114 11.478 7.611 28.058 1.00 33.44 H new ATOM 0 HD3 LYS A 114 13.140 7.833 28.566 1.00 33.44 H new ATOM 0 HE2 LYS A 114 12.995 9.725 26.600 1.00 63.30 H new ATOM 0 HE3 LYS A 114 11.324 9.712 27.128 1.00 63.30 H new ATOM 0 HZ1 LYS A 114 12.622 11.315 28.370 1.00 14.15 H new ATOM 0 HZ2 LYS A 114 12.069 10.089 29.407 1.00 14.15 H new ATOM 0 HZ3 LYS A 114 13.688 10.102 28.895 1.00 14.15 H new ATOM 1883 N GLU A 115 16.866 6.107 24.675 1.00 31.20 N ATOM 1884 CA GLU A 115 18.311 5.962 24.540 1.00 55.45 C ATOM 1885 C GLU A 115 18.754 6.253 23.109 1.00 65.43 C ATOM 1886 O GLU A 115 19.722 6.979 22.883 1.00 4.01 O ATOM 1887 CB GLU A 115 18.745 4.552 24.944 1.00 74.13 C ATOM 1888 CG GLU A 115 19.938 4.528 25.884 1.00 12.32 C ATOM 1889 CD GLU A 115 20.785 3.281 25.721 1.00 53.10 C ATOM 1890 OE1 GLU A 115 20.331 2.197 26.145 1.00 5.41 O ATOM 1891 OE2 GLU A 115 21.900 3.389 25.170 1.00 71.52 O ATOM 0 H GLU A 115 16.367 5.232 24.833 1.00 31.20 H new ATOM 0 HA GLU A 115 18.787 6.684 25.204 1.00 55.45 H new ATOM 0 HB2 GLU A 115 17.906 4.046 25.422 1.00 74.13 H new ATOM 0 HB3 GLU A 115 18.989 3.985 24.046 1.00 74.13 H new ATOM 0 HG2 GLU A 115 20.555 5.408 25.704 1.00 12.32 H new ATOM 0 HG3 GLU A 115 19.586 4.591 26.914 1.00 12.32 H new ATOM 1898 N ARG A 116 18.040 5.679 22.146 1.00 60.01 N ATOM 1899 CA ARG A 116 18.361 5.874 20.737 1.00 34.01 C ATOM 1900 C ARG A 116 17.774 7.185 20.222 1.00 12.14 C ATOM 1901 O ARG A 116 18.179 7.689 19.176 1.00 52.21 O ATOM 1902 CB ARG A 116 17.831 4.705 19.905 1.00 23.51 C ATOM 1903 CG ARG A 116 18.136 3.342 20.506 1.00 13.24 C ATOM 1904 CD ARG A 116 19.627 3.155 20.735 1.00 64.32 C ATOM 1905 NE ARG A 116 19.952 1.788 21.135 1.00 3.44 N ATOM 1906 CZ ARG A 116 21.163 1.405 21.524 1.00 22.20 C ATOM 1907 NH1 ARG A 116 22.158 2.280 21.565 1.00 43.13 N ATOM 1908 NH2 ARG A 116 21.381 0.143 21.874 1.00 55.34 N ATOM 0 H ARG A 116 17.236 5.075 22.316 1.00 60.01 H new ATOM 0 HA ARG A 116 19.446 5.918 20.640 1.00 34.01 H new ATOM 0 HB2 ARG A 116 16.752 4.810 19.793 1.00 23.51 H new ATOM 0 HB3 ARG A 116 18.262 4.757 18.905 1.00 23.51 H new ATOM 0 HG2 ARG A 116 17.605 3.233 21.452 1.00 13.24 H new ATOM 0 HG3 ARG A 116 17.768 2.560 19.842 1.00 13.24 H new ATOM 0 HD2 ARG A 116 20.168 3.404 19.822 1.00 64.32 H new ATOM 0 HD3 ARG A 116 19.965 3.848 21.505 1.00 64.32 H new ATOM 0 HE ARG A 116 19.209 1.090 21.114 1.00 3.44 H new ATOM 0 HH11 ARG A 116 21.995 3.251 21.297 1.00 43.13 H new ATOM 0 HH12 ARG A 116 23.087 1.983 21.864 1.00 43.13 H new ATOM 0 HH21 ARG A 116 20.618 -0.534 21.844 1.00 55.34 H new ATOM 0 HH22 ARG A 116 22.311 -0.150 22.173 1.00 55.34 H new ATOM 1922 N ASN A 117 16.817 7.731 20.966 1.00 51.33 N ATOM 1923 CA ASN A 117 16.173 8.983 20.584 1.00 43.21 C ATOM 1924 C ASN A 117 15.540 8.869 19.201 1.00 41.54 C ATOM 1925 O ASN A 117 15.722 9.742 18.350 1.00 35.44 O ATOM 1926 CB ASN A 117 17.188 10.128 20.600 1.00 2.11 C ATOM 1927 CG ASN A 117 18.141 10.040 21.777 1.00 71.44 C ATOM 1928 OD1 ASN A 117 17.830 10.495 22.877 1.00 34.34 O ATOM 1929 ND2 ASN A 117 19.310 9.452 21.548 1.00 34.14 N ATOM 0 H ASN A 117 16.471 7.327 21.836 1.00 51.33 H new ATOM 0 HA ASN A 117 15.386 9.194 21.308 1.00 43.21 H new ATOM 0 HB2 ASN A 117 17.759 10.116 19.672 1.00 2.11 H new ATOM 0 HB3 ASN A 117 16.658 11.080 20.636 1.00 2.11 H new ATOM 0 HD21 ASN A 117 19.992 9.363 22.301 1.00 34.14 H new ATOM 0 HD22 ASN A 117 19.525 9.089 20.619 1.00 34.14 H new ATOM 1936 N ILE A 118 14.797 7.790 18.983 1.00 33.12 N ATOM 1937 CA ILE A 118 14.135 7.563 17.704 1.00 3.32 C ATOM 1938 C ILE A 118 13.044 8.599 17.459 1.00 54.33 C ATOM 1939 O ILE A 118 13.100 9.359 16.492 1.00 52.14 O ATOM 1940 CB ILE A 118 13.516 6.155 17.632 1.00 24.11 C ATOM 1941 CG1 ILE A 118 14.546 5.100 18.043 1.00 51.11 C ATOM 1942 CG2 ILE A 118 12.995 5.876 16.230 1.00 2.52 C ATOM 1943 CD1 ILE A 118 15.763 5.063 17.146 1.00 24.41 C ATOM 0 H ILE A 118 14.638 7.058 19.676 1.00 33.12 H new ATOM 0 HA ILE A 118 14.900 7.654 16.932 1.00 3.32 H new ATOM 0 HB ILE A 118 12.677 6.107 18.326 1.00 24.11 H new ATOM 0 HG12 ILE A 118 14.865 5.295 19.067 1.00 51.11 H new ATOM 0 HG13 ILE A 118 14.071 4.119 18.038 1.00 51.11 H new ATOM 0 HG21 ILE A 118 12.561 4.877 16.195 1.00 2.52 H new ATOM 0 HG22 ILE A 118 12.234 6.612 15.972 1.00 2.52 H new ATOM 0 HG23 ILE A 118 13.817 5.939 15.517 1.00 2.52 H new ATOM 0 HD11 ILE A 118 16.450 4.293 17.496 1.00 24.41 H new ATOM 0 HD12 ILE A 118 15.456 4.838 16.125 1.00 24.41 H new ATOM 0 HD13 ILE A 118 16.262 6.032 17.169 1.00 24.41 H new ATOM 1955 N PHE A 119 12.051 8.625 18.342 1.00 40.40 N ATOM 1956 CA PHE A 119 10.946 9.569 18.222 1.00 13.12 C ATOM 1957 C PHE A 119 11.323 10.926 18.810 1.00 33.33 C ATOM 1958 O PHE A 119 12.300 11.044 19.549 1.00 0.12 O ATOM 1959 CB PHE A 119 9.702 9.023 18.927 1.00 62.21 C ATOM 1960 CG PHE A 119 9.402 7.591 18.588 1.00 32.31 C ATOM 1961 CD1 PHE A 119 9.457 7.149 17.276 1.00 25.01 C ATOM 1962 CD2 PHE A 119 9.063 6.686 19.582 1.00 40.42 C ATOM 1963 CE1 PHE A 119 9.182 5.832 16.961 1.00 71.31 C ATOM 1964 CE2 PHE A 119 8.787 5.368 19.273 1.00 71.13 C ATOM 1965 CZ PHE A 119 8.845 4.940 17.961 1.00 42.34 C ATOM 0 H PHE A 119 11.989 8.003 19.148 1.00 40.40 H new ATOM 0 HA PHE A 119 10.727 9.700 17.162 1.00 13.12 H new ATOM 0 HB2 PHE A 119 9.836 9.113 20.005 1.00 62.21 H new ATOM 0 HB3 PHE A 119 8.843 9.639 18.660 1.00 62.21 H new ATOM 0 HD1 PHE A 119 9.718 7.842 16.490 1.00 25.01 H new ATOM 0 HD2 PHE A 119 9.014 7.015 20.610 1.00 40.42 H new ATOM 0 HE1 PHE A 119 9.230 5.500 15.934 1.00 71.31 H new ATOM 0 HE2 PHE A 119 8.526 4.673 20.057 1.00 71.13 H new ATOM 0 HZ PHE A 119 8.627 3.911 17.717 1.00 42.34 H new ATOM 1975 N SER A 120 10.540 11.947 18.476 1.00 22.11 N ATOM 1976 CA SER A 120 10.793 13.297 18.967 1.00 64.52 C ATOM 1977 C SER A 120 10.175 13.498 20.347 1.00 22.40 C ATOM 1978 O SER A 120 9.592 12.577 20.920 1.00 60.23 O ATOM 1979 CB SER A 120 10.233 14.331 17.989 1.00 42.01 C ATOM 1980 OG SER A 120 10.939 14.307 16.761 1.00 65.44 O ATOM 0 H SER A 120 9.725 11.865 17.868 1.00 22.11 H new ATOM 0 HA SER A 120 11.872 13.431 19.048 1.00 64.52 H new ATOM 0 HB2 SER A 120 9.177 14.131 17.809 1.00 42.01 H new ATOM 0 HB3 SER A 120 10.298 15.326 18.430 1.00 42.01 H new ATOM 0 HG SER A 120 10.560 14.976 16.153 1.00 65.44 H new ATOM 1986 N LYS A 121 10.307 14.709 20.877 1.00 50.15 N ATOM 1987 CA LYS A 121 9.761 15.035 22.189 1.00 63.31 C ATOM 1988 C LYS A 121 8.237 14.975 22.174 1.00 2.14 C ATOM 1989 O LYS A 121 7.620 14.437 23.093 1.00 0.32 O ATOM 1990 CB LYS A 121 10.224 16.427 22.625 1.00 32.43 C ATOM 1991 CG LYS A 121 11.334 16.402 23.662 1.00 72.42 C ATOM 1992 CD LYS A 121 12.049 17.740 23.746 1.00 72.34 C ATOM 1993 CE LYS A 121 13.077 17.893 22.635 1.00 32.21 C ATOM 1994 NZ LYS A 121 14.284 17.055 22.877 1.00 32.11 N ATOM 0 H LYS A 121 10.788 15.482 20.417 1.00 50.15 H new ATOM 0 HA LYS A 121 10.129 14.297 22.902 1.00 63.31 H new ATOM 0 HB2 LYS A 121 10.569 16.977 21.749 1.00 32.43 H new ATOM 0 HB3 LYS A 121 9.372 16.974 23.030 1.00 32.43 H new ATOM 0 HG2 LYS A 121 10.917 16.150 24.637 1.00 72.42 H new ATOM 0 HG3 LYS A 121 12.051 15.621 23.410 1.00 72.42 H new ATOM 0 HD2 LYS A 121 11.320 18.548 23.683 1.00 72.34 H new ATOM 0 HD3 LYS A 121 12.542 17.830 24.714 1.00 72.34 H new ATOM 0 HE2 LYS A 121 12.626 17.614 21.682 1.00 32.21 H new ATOM 0 HE3 LYS A 121 13.372 18.939 22.554 1.00 32.21 H new ATOM 0 HZ1 LYS A 121 15.044 17.346 22.229 1.00 32.11 H new ATOM 0 HZ2 LYS A 121 14.601 17.178 23.860 1.00 32.11 H new ATOM 0 HZ3 LYS A 121 14.051 16.055 22.711 1.00 32.11 H new ATOM 2008 N GLN A 122 7.638 15.530 21.126 1.00 72.43 N ATOM 2009 CA GLN A 122 6.186 15.538 20.993 1.00 52.14 C ATOM 2010 C GLN A 122 5.629 14.119 21.017 1.00 74.43 C ATOM 2011 O GLN A 122 4.518 13.884 21.494 1.00 4.32 O ATOM 2012 CB GLN A 122 5.775 16.238 19.696 1.00 64.22 C ATOM 2013 CG GLN A 122 5.838 17.755 19.777 1.00 72.52 C ATOM 2014 CD GLN A 122 6.126 18.399 18.435 1.00 3.34 C ATOM 2015 OE1 GLN A 122 7.245 18.327 17.927 1.00 44.31 O ATOM 2016 NE2 GLN A 122 5.115 19.034 17.854 1.00 4.40 N ATOM 0 H GLN A 122 8.135 15.980 20.357 1.00 72.43 H new ATOM 0 HA GLN A 122 5.772 16.085 21.840 1.00 52.14 H new ATOM 0 HB2 GLN A 122 6.423 15.898 18.888 1.00 64.22 H new ATOM 0 HB3 GLN A 122 4.760 15.938 19.437 1.00 64.22 H new ATOM 0 HG2 GLN A 122 4.891 18.134 20.162 1.00 72.52 H new ATOM 0 HG3 GLN A 122 6.611 18.045 20.489 1.00 72.52 H new ATOM 0 HE21 GLN A 122 4.204 19.069 18.311 1.00 4.40 H new ATOM 0 HE22 GLN A 122 5.249 19.487 16.950 1.00 4.40 H new ATOM 2025 N VAL A 123 6.407 13.174 20.498 1.00 73.21 N ATOM 2026 CA VAL A 123 5.991 11.777 20.460 1.00 24.34 C ATOM 2027 C VAL A 123 6.189 11.108 21.816 1.00 0.12 C ATOM 2028 O VAL A 123 5.267 10.500 22.361 1.00 5.20 O ATOM 2029 CB VAL A 123 6.772 10.988 19.393 1.00 60.44 C ATOM 2030 CG1 VAL A 123 6.285 9.548 19.330 1.00 54.15 C ATOM 2031 CG2 VAL A 123 6.646 11.662 18.035 1.00 62.33 C ATOM 0 H VAL A 123 7.329 13.351 20.098 1.00 73.21 H new ATOM 0 HA VAL A 123 4.931 11.769 20.205 1.00 24.34 H new ATOM 0 HB VAL A 123 7.826 10.978 19.672 1.00 60.44 H new ATOM 0 HG11 VAL A 123 6.849 9.006 18.570 1.00 54.15 H new ATOM 0 HG12 VAL A 123 6.432 9.072 20.299 1.00 54.15 H new ATOM 0 HG13 VAL A 123 5.225 9.533 19.075 1.00 54.15 H new ATOM 0 HG21 VAL A 123 7.204 11.091 17.292 1.00 62.33 H new ATOM 0 HG22 VAL A 123 5.596 11.705 17.746 1.00 62.33 H new ATOM 0 HG23 VAL A 123 7.048 12.674 18.092 1.00 62.33 H new ATOM 2041 N VAL A 124 7.398 11.225 22.357 1.00 33.10 N ATOM 2042 CA VAL A 124 7.717 10.633 23.651 1.00 52.22 C ATOM 2043 C VAL A 124 6.757 11.121 24.730 1.00 75.31 C ATOM 2044 O VAL A 124 6.259 10.334 25.534 1.00 71.43 O ATOM 2045 CB VAL A 124 9.160 10.961 24.077 1.00 1.02 C ATOM 2046 CG1 VAL A 124 9.461 10.366 25.445 1.00 41.45 C ATOM 2047 CG2 VAL A 124 10.150 10.457 23.038 1.00 72.12 C ATOM 0 H VAL A 124 8.172 11.724 21.919 1.00 33.10 H new ATOM 0 HA VAL A 124 7.615 9.554 23.539 1.00 52.22 H new ATOM 0 HB VAL A 124 9.262 12.044 24.147 1.00 1.02 H new ATOM 0 HG11 VAL A 124 10.485 10.608 25.730 1.00 41.45 H new ATOM 0 HG12 VAL A 124 8.772 10.780 26.181 1.00 41.45 H new ATOM 0 HG13 VAL A 124 9.342 9.283 25.405 1.00 41.45 H new ATOM 0 HG21 VAL A 124 11.165 10.697 23.355 1.00 72.12 H new ATOM 0 HG22 VAL A 124 10.049 9.377 22.933 1.00 72.12 H new ATOM 0 HG23 VAL A 124 9.947 10.935 22.080 1.00 72.12 H new ATOM 2057 N ASN A 125 6.500 12.425 24.741 1.00 62.20 N ATOM 2058 CA ASN A 125 5.599 13.018 25.722 1.00 52.31 C ATOM 2059 C ASN A 125 4.203 12.411 25.616 1.00 64.31 C ATOM 2060 O ASN A 125 3.446 12.398 26.586 1.00 34.41 O ATOM 2061 CB ASN A 125 5.524 14.534 25.525 1.00 32.31 C ATOM 2062 CG ASN A 125 6.570 15.275 26.336 1.00 71.55 C ATOM 2063 OD1 ASN A 125 6.479 15.355 27.561 1.00 44.43 O ATOM 2064 ND2 ASN A 125 7.570 15.820 25.653 1.00 71.10 N ATOM 0 H ASN A 125 6.903 13.091 24.082 1.00 62.20 H new ATOM 0 HA ASN A 125 5.994 12.806 26.716 1.00 52.31 H new ATOM 0 HB2 ASN A 125 5.655 14.767 24.468 1.00 32.31 H new ATOM 0 HB3 ASN A 125 4.532 14.886 25.808 1.00 32.31 H new ATOM 0 HD21 ASN A 125 8.304 16.331 26.144 1.00 71.10 H new ATOM 0 HD22 ASN A 125 7.604 15.728 24.638 1.00 71.10 H new ATOM 2071 N ASP A 126 3.871 11.908 24.432 1.00 44.31 N ATOM 2072 CA ASP A 126 2.568 11.297 24.199 1.00 51.42 C ATOM 2073 C ASP A 126 2.493 9.915 24.839 1.00 24.23 C ATOM 2074 O ASP A 126 1.445 9.508 25.341 1.00 52.13 O ATOM 2075 CB ASP A 126 2.291 11.194 22.698 1.00 35.43 C ATOM 2076 CG ASP A 126 0.809 11.112 22.388 1.00 51.13 C ATOM 2077 OD1 ASP A 126 0.092 12.098 22.657 1.00 35.25 O ATOM 2078 OD2 ASP A 126 0.366 10.062 21.876 1.00 44.24 O ATOM 0 H ASP A 126 4.487 11.911 23.619 1.00 44.31 H new ATOM 0 HA ASP A 126 1.809 11.931 24.658 1.00 51.42 H new ATOM 0 HB2 ASP A 126 2.718 12.060 22.192 1.00 35.43 H new ATOM 0 HB3 ASP A 126 2.792 10.312 22.298 1.00 35.43 H new ATOM 2083 N ILE A 127 3.612 9.197 24.818 1.00 54.43 N ATOM 2084 CA ILE A 127 3.672 7.861 25.396 1.00 24.13 C ATOM 2085 C ILE A 127 3.412 7.900 26.898 1.00 23.33 C ATOM 2086 O ILE A 127 2.594 7.140 27.416 1.00 42.22 O ATOM 2087 CB ILE A 127 5.039 7.198 25.140 1.00 11.32 C ATOM 2088 CG1 ILE A 127 5.294 7.070 23.637 1.00 4.31 C ATOM 2089 CG2 ILE A 127 5.100 5.834 25.811 1.00 2.44 C ATOM 2090 CD1 ILE A 127 6.761 6.969 23.280 1.00 51.41 C ATOM 0 H ILE A 127 4.488 9.519 24.407 1.00 54.43 H new ATOM 0 HA ILE A 127 2.895 7.271 24.910 1.00 24.13 H new ATOM 0 HB ILE A 127 5.818 7.828 25.570 1.00 11.32 H new ATOM 0 HG12 ILE A 127 4.776 6.187 23.262 1.00 4.31 H new ATOM 0 HG13 ILE A 127 4.863 7.933 23.129 1.00 4.31 H new ATOM 0 HG21 ILE A 127 6.072 5.378 25.621 1.00 2.44 H new ATOM 0 HG22 ILE A 127 4.958 5.950 26.885 1.00 2.44 H new ATOM 0 HG23 ILE A 127 4.314 5.195 25.408 1.00 2.44 H new ATOM 0 HD11 ILE A 127 6.867 6.881 22.199 1.00 51.41 H new ATOM 0 HD12 ILE A 127 7.282 7.863 23.624 1.00 51.41 H new ATOM 0 HD13 ILE A 127 7.193 6.091 23.760 1.00 51.41 H new ATOM 2102 N GLU A 128 4.113 8.791 27.592 1.00 42.30 N ATOM 2103 CA GLU A 128 3.957 8.930 29.035 1.00 33.51 C ATOM 2104 C GLU A 128 2.503 9.219 29.400 1.00 64.05 C ATOM 2105 O GLU A 128 1.899 8.505 30.201 1.00 43.45 O ATOM 2106 CB GLU A 128 4.859 10.047 29.564 1.00 73.14 C ATOM 2107 CG GLU A 128 6.340 9.713 29.503 1.00 12.23 C ATOM 2108 CD GLU A 128 6.774 8.783 30.619 1.00 2.13 C ATOM 2109 OE1 GLU A 128 5.891 8.239 31.315 1.00 71.45 O ATOM 2110 OE2 GLU A 128 7.996 8.600 30.798 1.00 63.22 O ATOM 0 H GLU A 128 4.794 9.427 27.178 1.00 42.30 H new ATOM 0 HA GLU A 128 4.250 7.988 29.498 1.00 33.51 H new ATOM 0 HB2 GLU A 128 4.676 10.954 28.988 1.00 73.14 H new ATOM 0 HB3 GLU A 128 4.586 10.264 30.597 1.00 73.14 H new ATOM 0 HG2 GLU A 128 6.565 9.251 28.542 1.00 12.23 H new ATOM 0 HG3 GLU A 128 6.919 10.635 29.557 1.00 12.23 H new ATOM 2117 N ARG A 129 1.949 10.271 28.806 1.00 31.10 N ATOM 2118 CA ARG A 129 0.568 10.656 29.069 1.00 53.41 C ATOM 2119 C ARG A 129 -0.397 9.562 28.622 1.00 62.21 C ATOM 2120 O ARG A 129 -1.482 9.410 29.182 1.00 12.04 O ATOM 2121 CB ARG A 129 0.236 11.967 28.352 1.00 24.23 C ATOM 2122 CG ARG A 129 0.073 11.814 26.849 1.00 55.21 C ATOM 2123 CD ARG A 129 -0.333 13.127 26.197 1.00 65.23 C ATOM 2124 NE ARG A 129 0.560 14.221 26.568 1.00 5.10 N ATOM 2125 CZ ARG A 129 0.320 15.496 26.281 1.00 32.44 C ATOM 2126 NH1 ARG A 129 -0.781 15.834 25.624 1.00 45.33 N ATOM 2127 NH2 ARG A 129 1.181 16.435 26.653 1.00 34.52 N ATOM 0 H ARG A 129 2.435 10.871 28.140 1.00 31.10 H new ATOM 0 HA ARG A 129 0.456 10.798 30.144 1.00 53.41 H new ATOM 0 HB2 ARG A 129 -0.684 12.377 28.769 1.00 24.23 H new ATOM 0 HB3 ARG A 129 1.026 12.691 28.552 1.00 24.23 H new ATOM 0 HG2 ARG A 129 1.009 11.464 26.414 1.00 55.21 H new ATOM 0 HG3 ARG A 129 -0.679 11.054 26.639 1.00 55.21 H new ATOM 0 HD2 ARG A 129 -0.331 13.009 25.113 1.00 65.23 H new ATOM 0 HD3 ARG A 129 -1.353 13.377 26.489 1.00 65.23 H new ATOM 0 HE ARG A 129 1.415 13.994 27.075 1.00 5.10 H new ATOM 0 HH11 ARG A 129 -1.445 15.115 25.338 1.00 45.33 H new ATOM 0 HH12 ARG A 129 -0.964 16.813 25.405 1.00 45.33 H new ATOM 0 HH21 ARG A 129 2.028 16.178 27.160 1.00 34.52 H new ATOM 0 HH22 ARG A 129 0.996 17.413 26.432 1.00 34.52 H new ATOM 2141 N SER A 130 0.007 8.802 27.609 1.00 70.03 N ATOM 2142 CA SER A 130 -0.823 7.724 27.083 1.00 1.24 C ATOM 2143 C SER A 130 -1.014 6.628 28.127 1.00 35.00 C ATOM 2144 O SER A 130 -2.088 6.033 28.230 1.00 12.21 O ATOM 2145 CB SER A 130 -0.192 7.136 25.819 1.00 15.35 C ATOM 2146 OG SER A 130 -0.638 7.821 24.662 1.00 43.25 O ATOM 0 H SER A 130 0.904 8.913 27.136 1.00 70.03 H new ATOM 0 HA SER A 130 -1.800 8.139 26.833 1.00 1.24 H new ATOM 0 HB2 SER A 130 0.894 7.199 25.887 1.00 15.35 H new ATOM 0 HB3 SER A 130 -0.445 6.079 25.740 1.00 15.35 H new ATOM 0 HG SER A 130 -0.081 8.614 24.516 1.00 43.25 H new ATOM 2152 N LEU A 131 0.034 6.366 28.899 1.00 21.43 N ATOM 2153 CA LEU A 131 -0.017 5.341 29.936 1.00 23.22 C ATOM 2154 C LEU A 131 -0.747 5.854 31.173 1.00 23.34 C ATOM 2155 O LEU A 131 -1.675 5.215 31.667 1.00 14.25 O ATOM 2156 CB LEU A 131 1.398 4.897 30.312 1.00 1.22 C ATOM 2157 CG LEU A 131 2.245 4.322 29.176 1.00 4.44 C ATOM 2158 CD1 LEU A 131 3.616 3.908 29.690 1.00 53.34 C ATOM 2159 CD2 LEU A 131 1.538 3.142 28.528 1.00 75.31 C ATOM 0 H LEU A 131 0.930 6.849 28.827 1.00 21.43 H new ATOM 0 HA LEU A 131 -0.566 4.486 29.541 1.00 23.22 H new ATOM 0 HB2 LEU A 131 1.925 5.752 30.735 1.00 1.22 H new ATOM 0 HB3 LEU A 131 1.325 4.147 31.099 1.00 1.22 H new ATOM 0 HG LEU A 131 2.381 5.097 28.421 1.00 4.44 H new ATOM 0 HD11 LEU A 131 4.205 3.501 28.868 1.00 53.34 H new ATOM 0 HD12 LEU A 131 4.126 4.777 30.107 1.00 53.34 H new ATOM 0 HD13 LEU A 131 3.501 3.149 30.464 1.00 53.34 H new ATOM 0 HD21 LEU A 131 2.156 2.746 27.722 1.00 75.31 H new ATOM 0 HD22 LEU A 131 1.371 2.364 29.273 1.00 75.31 H new ATOM 0 HD23 LEU A 131 0.580 3.469 28.124 1.00 75.31 H new