USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 587 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 46 HIS :FLIP no HD1:sc= -1.45 F(o=-3.2!,f=-1.4) USER MOD Set 1.2: A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -1.81 K(o=-1.8,f=-8.4!) USER MOD Single : A 12 GLN : amide:sc= -0.349 K(o=-0.35,f=-2.3!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.0689 K(o=-0.069,f=-0.63) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0.167 K(o=0.17,f=-1.5) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 37 TYR OH : rot 83:sc= -1.78 USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 39 HIS : no HD1:sc= -0.161 X(o=-0.16,f=-0.022) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 166:sc=-0.00194 (180deg=-0.0601) USER MOD Single : A 53 GLN :FLIP amide:sc= -1.17 F(o=-1.9!,f=-1.2) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot -176:sc= -1.51 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 110:sc= -0.851 USER MOD Single : A 74 LYS NZ :NH3+ 166:sc= 0.129 (180deg=0.103) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 130:sc= 0.162! USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 10 -2.105 12.954 5.191 1.00 5.45 N ATOM 2 CA ASN A 10 -1.288 11.891 4.618 1.00 61.50 C ATOM 3 C ASN A 10 -1.699 10.531 5.172 1.00 42.20 C ATOM 4 O ASN A 10 -1.598 9.513 4.486 1.00 41.00 O ATOM 5 CB ASN A 10 0.193 12.145 4.905 1.00 72.00 C ATOM 6 CG ASN A 10 0.455 12.448 6.367 1.00 55.10 C ATOM 7 OD1 ASN A 10 -0.035 11.750 7.255 1.00 62.10 O ATOM 8 ND2 ASN A 10 1.231 13.494 6.625 1.00 63.20 N ATOM 0 HA ASN A 10 -1.446 11.887 3.540 1.00 61.50 H new ATOM 0 HB2 ASN A 10 0.773 11.271 4.608 1.00 72.00 H new ATOM 0 HB3 ASN A 10 0.540 12.980 4.296 1.00 72.00 H new ATOM 0 HD21 ASN A 10 1.442 13.747 7.590 1.00 63.20 H new ATOM 0 HD22 ASN A 10 1.616 14.045 5.858 1.00 63.20 H new ATOM 15 N LEU A 11 -2.162 10.520 6.418 1.00 43.00 N ATOM 16 CA LEU A 11 -2.589 9.285 7.064 1.00 3.25 C ATOM 17 C LEU A 11 -3.953 8.842 6.547 1.00 15.40 C ATOM 18 O LEU A 11 -4.205 7.651 6.369 1.00 35.20 O ATOM 19 CB LEU A 11 -2.642 9.471 8.582 1.00 52.30 C ATOM 20 CG LEU A 11 -2.944 8.201 9.380 1.00 5.44 C ATOM 21 CD1 LEU A 11 -1.661 7.442 9.681 1.00 22.40 C ATOM 22 CD2 LEU A 11 -3.678 8.544 10.668 1.00 2.11 C ATOM 0 H LEU A 11 -2.251 11.353 7.000 1.00 43.00 H new ATOM 0 HA LEU A 11 -1.861 8.510 6.824 1.00 3.25 H new ATOM 0 HB2 LEU A 11 -1.686 9.874 8.917 1.00 52.30 H new ATOM 0 HB3 LEU A 11 -3.401 10.217 8.815 1.00 52.30 H new ATOM 0 HG LEU A 11 -3.588 7.560 8.778 1.00 5.44 H new ATOM 0 HD11 LEU A 11 -1.896 6.542 10.249 1.00 22.40 H new ATOM 0 HD12 LEU A 11 -1.175 7.164 8.746 1.00 22.40 H new ATOM 0 HD13 LEU A 11 -0.992 8.075 10.264 1.00 22.40 H new ATOM 0 HD21 LEU A 11 -3.885 7.629 11.223 1.00 2.11 H new ATOM 0 HD22 LEU A 11 -3.059 9.205 11.275 1.00 2.11 H new ATOM 0 HD23 LEU A 11 -4.617 9.044 10.430 1.00 2.11 H new ATOM 34 N GLN A 12 -4.831 9.811 6.306 1.00 10.40 N ATOM 35 CA GLN A 12 -6.171 9.521 5.808 1.00 61.20 C ATOM 36 C GLN A 12 -6.109 8.810 4.460 1.00 24.10 C ATOM 37 O GLN A 12 -6.921 7.930 4.173 1.00 61.00 O ATOM 38 CB GLN A 12 -6.980 10.813 5.679 1.00 61.10 C ATOM 39 CG GLN A 12 -8.444 10.583 5.344 1.00 40.20 C ATOM 40 CD GLN A 12 -8.725 10.683 3.857 1.00 52.40 C ATOM 41 OE1 GLN A 12 -7.969 11.306 3.112 1.00 31.30 O ATOM 42 NE2 GLN A 12 -9.817 10.068 3.418 1.00 44.40 N ATOM 0 H GLN A 12 -4.639 10.803 6.447 1.00 10.40 H new ATOM 0 HA GLN A 12 -6.663 8.862 6.524 1.00 61.20 H new ATOM 0 HB2 GLN A 12 -6.913 11.369 6.614 1.00 61.10 H new ATOM 0 HB3 GLN A 12 -6.532 11.436 4.905 1.00 61.10 H new ATOM 0 HG2 GLN A 12 -8.744 9.598 5.701 1.00 40.20 H new ATOM 0 HG3 GLN A 12 -9.054 11.314 5.875 1.00 40.20 H new ATOM 0 HE21 GLN A 12 -10.415 9.563 4.072 1.00 44.40 H new ATOM 0 HE22 GLN A 12 -10.057 10.101 2.427 1.00 44.40 H new ATOM 51 N LYS A 13 -5.140 9.196 3.637 1.00 51.40 N ATOM 52 CA LYS A 13 -4.971 8.594 2.319 1.00 33.40 C ATOM 53 C LYS A 13 -4.338 7.211 2.430 1.00 31.50 C ATOM 54 O LYS A 13 -4.665 6.305 1.663 1.00 34.00 O ATOM 55 CB LYS A 13 -4.109 9.493 1.432 1.00 54.20 C ATOM 56 CG LYS A 13 -4.536 9.498 -0.027 1.00 14.10 C ATOM 57 CD LYS A 13 -3.341 9.621 -0.957 1.00 21.20 C ATOM 58 CE LYS A 13 -3.654 10.506 -2.153 1.00 64.50 C ATOM 59 NZ LYS A 13 -3.162 11.897 -1.959 1.00 11.30 N ATOM 0 H LYS A 13 -4.460 9.923 3.859 1.00 51.40 H new ATOM 0 HA LYS A 13 -5.957 8.487 1.866 1.00 33.40 H new ATOM 0 HB2 LYS A 13 -4.147 10.512 1.816 1.00 54.20 H new ATOM 0 HB3 LYS A 13 -3.071 9.166 1.497 1.00 54.20 H new ATOM 0 HG2 LYS A 13 -5.080 8.580 -0.251 1.00 14.10 H new ATOM 0 HG3 LYS A 13 -5.222 10.326 -0.203 1.00 14.10 H new ATOM 0 HD2 LYS A 13 -2.494 10.034 -0.410 1.00 21.20 H new ATOM 0 HD3 LYS A 13 -3.045 8.631 -1.303 1.00 21.20 H new ATOM 0 HE2 LYS A 13 -3.198 10.081 -3.048 1.00 64.50 H new ATOM 0 HE3 LYS A 13 -4.731 10.522 -2.321 1.00 64.50 H new ATOM 0 HZ1 LYS A 13 -3.395 12.468 -2.797 1.00 11.30 H new ATOM 0 HZ2 LYS A 13 -3.616 12.312 -1.120 1.00 11.30 H new ATOM 0 HZ3 LYS A 13 -2.131 11.885 -1.825 1.00 11.30 H new ATOM 73 N ALA A 14 -3.431 7.056 3.388 1.00 5.11 N ATOM 74 CA ALA A 14 -2.752 5.783 3.599 1.00 2.01 C ATOM 75 C ALA A 14 -3.750 4.675 3.919 1.00 64.40 C ATOM 76 O ALA A 14 -3.596 3.539 3.471 1.00 74.40 O ATOM 77 CB ALA A 14 -1.726 5.911 4.715 1.00 4.04 C ATOM 0 H ALA A 14 -3.149 7.796 4.031 1.00 5.11 H new ATOM 0 HA ALA A 14 -2.237 5.516 2.676 1.00 2.01 H new ATOM 0 HB1 ALA A 14 -1.227 4.953 4.862 1.00 4.04 H new ATOM 0 HB2 ALA A 14 -0.989 6.667 4.446 1.00 4.04 H new ATOM 0 HB3 ALA A 14 -2.227 6.204 5.638 1.00 4.04 H new ATOM 83 N ILE A 15 -4.773 5.014 4.697 1.00 23.20 N ATOM 84 CA ILE A 15 -5.796 4.048 5.077 1.00 52.00 C ATOM 85 C ILE A 15 -6.777 3.809 3.935 1.00 22.20 C ATOM 86 O ILE A 15 -7.284 2.701 3.761 1.00 25.40 O ATOM 87 CB ILE A 15 -6.577 4.517 6.319 1.00 0.12 C ATOM 88 CG1 ILE A 15 -5.612 4.955 7.422 1.00 5.43 C ATOM 89 CG2 ILE A 15 -7.493 3.409 6.819 1.00 30.20 C ATOM 90 CD1 ILE A 15 -6.270 5.771 8.513 1.00 63.10 C ATOM 0 H ILE A 15 -4.915 5.950 5.076 1.00 23.20 H new ATOM 0 HA ILE A 15 -5.280 3.117 5.311 1.00 52.00 H new ATOM 0 HB ILE A 15 -7.192 5.373 6.040 1.00 0.12 H new ATOM 0 HG12 ILE A 15 -5.156 4.070 7.866 1.00 5.43 H new ATOM 0 HG13 ILE A 15 -4.807 5.540 6.978 1.00 5.43 H new ATOM 0 HG21 ILE A 15 -8.038 3.756 7.697 1.00 30.20 H new ATOM 0 HG22 ILE A 15 -8.201 3.141 6.035 1.00 30.20 H new ATOM 0 HG23 ILE A 15 -6.897 2.536 7.084 1.00 30.20 H new ATOM 0 HD11 ILE A 15 -5.526 6.046 9.260 1.00 63.10 H new ATOM 0 HD12 ILE A 15 -6.702 6.674 8.082 1.00 63.10 H new ATOM 0 HD13 ILE A 15 -7.057 5.181 8.984 1.00 63.10 H new ATOM 102 N ASP A 16 -7.039 4.855 3.158 1.00 72.10 N ATOM 103 CA ASP A 16 -7.960 4.758 2.031 1.00 42.30 C ATOM 104 C ASP A 16 -7.382 3.873 0.931 1.00 11.40 C ATOM 105 O ASP A 16 -8.047 2.962 0.440 1.00 73.30 O ATOM 106 CB ASP A 16 -8.266 6.149 1.475 1.00 15.20 C ATOM 107 CG ASP A 16 -9.575 6.191 0.710 1.00 1.33 C ATOM 108 OD1 ASP A 16 -9.855 5.234 -0.041 1.00 12.10 O ATOM 109 OD2 ASP A 16 -10.320 7.182 0.863 1.00 44.30 O ATOM 0 H ASP A 16 -6.627 5.779 3.288 1.00 72.10 H new ATOM 0 HA ASP A 16 -8.885 4.305 2.387 1.00 42.30 H new ATOM 0 HB2 ASP A 16 -8.305 6.865 2.296 1.00 15.20 H new ATOM 0 HB3 ASP A 16 -7.454 6.461 0.818 1.00 15.20 H new ATOM 114 N LEU A 17 -6.139 4.149 0.548 1.00 62.10 N ATOM 115 CA LEU A 17 -5.472 3.379 -0.494 1.00 21.30 C ATOM 116 C LEU A 17 -5.324 1.918 -0.081 1.00 73.40 C ATOM 117 O LEU A 17 -5.462 1.013 -0.903 1.00 42.50 O ATOM 118 CB LEU A 17 -4.096 3.976 -0.797 1.00 23.30 C ATOM 119 CG LEU A 17 -4.120 5.352 -1.465 1.00 23.40 C ATOM 120 CD1 LEU A 17 -2.888 6.154 -1.078 1.00 72.10 C ATOM 121 CD2 LEU A 17 -4.212 5.208 -2.976 1.00 41.10 C ATOM 0 H LEU A 17 -5.574 4.900 0.944 1.00 62.10 H new ATOM 0 HA LEU A 17 -6.087 3.424 -1.393 1.00 21.30 H new ATOM 0 HB2 LEU A 17 -3.536 4.051 0.135 1.00 23.30 H new ATOM 0 HB3 LEU A 17 -3.551 3.286 -1.441 1.00 23.30 H new ATOM 0 HG LEU A 17 -5.002 5.889 -1.117 1.00 23.40 H new ATOM 0 HD11 LEU A 17 -2.922 7.130 -1.562 1.00 72.10 H new ATOM 0 HD12 LEU A 17 -2.865 6.286 0.004 1.00 72.10 H new ATOM 0 HD13 LEU A 17 -1.992 5.622 -1.397 1.00 72.10 H new ATOM 0 HD21 LEU A 17 -4.228 6.196 -3.435 1.00 41.10 H new ATOM 0 HD22 LEU A 17 -3.349 4.652 -3.342 1.00 41.10 H new ATOM 0 HD23 LEU A 17 -5.125 4.672 -3.236 1.00 41.10 H new ATOM 133 N ALA A 18 -5.044 1.696 1.199 1.00 53.40 N ATOM 134 CA ALA A 18 -4.878 0.345 1.722 1.00 3.45 C ATOM 135 C ALA A 18 -6.145 -0.479 1.525 1.00 62.30 C ATOM 136 O ALA A 18 -6.087 -1.638 1.115 1.00 70.40 O ATOM 137 CB ALA A 18 -4.500 0.393 3.195 1.00 10.10 C ATOM 0 H ALA A 18 -4.927 2.434 1.893 1.00 53.40 H new ATOM 0 HA ALA A 18 -4.073 -0.137 1.167 1.00 3.45 H new ATOM 0 HB1 ALA A 18 -4.379 -0.622 3.573 1.00 10.10 H new ATOM 0 HB2 ALA A 18 -3.563 0.938 3.313 1.00 10.10 H new ATOM 0 HB3 ALA A 18 -5.286 0.898 3.756 1.00 10.10 H new ATOM 143 N SER A 19 -7.291 0.127 1.820 1.00 64.10 N ATOM 144 CA SER A 19 -8.574 -0.551 1.675 1.00 42.50 C ATOM 145 C SER A 19 -8.901 -0.787 0.204 1.00 14.40 C ATOM 146 O SER A 19 -9.366 -1.862 -0.175 1.00 62.40 O ATOM 147 CB SER A 19 -9.685 0.269 2.332 1.00 64.20 C ATOM 148 OG SER A 19 -9.781 -0.018 3.716 1.00 24.30 O ATOM 0 H SER A 19 -7.357 1.086 2.161 1.00 64.10 H new ATOM 0 HA SER A 19 -8.504 -1.518 2.173 1.00 42.50 H new ATOM 0 HB2 SER A 19 -9.489 1.332 2.191 1.00 64.20 H new ATOM 0 HB3 SER A 19 -10.636 0.053 1.846 1.00 64.20 H new ATOM 0 HG SER A 19 -10.497 0.520 4.113 1.00 24.30 H new ATOM 154 N LYS A 20 -8.657 0.226 -0.621 1.00 23.20 N ATOM 155 CA LYS A 20 -8.926 0.129 -2.051 1.00 11.40 C ATOM 156 C LYS A 20 -8.056 -0.945 -2.697 1.00 24.00 C ATOM 157 O LYS A 20 -8.524 -1.715 -3.537 1.00 21.30 O ATOM 158 CB LYS A 20 -8.679 1.477 -2.731 1.00 34.10 C ATOM 159 CG LYS A 20 -9.804 2.478 -2.521 1.00 42.10 C ATOM 160 CD LYS A 20 -10.790 2.455 -3.676 1.00 4.01 C ATOM 161 CE LYS A 20 -10.450 3.505 -4.722 1.00 50.30 C ATOM 162 NZ LYS A 20 -10.770 3.042 -6.099 1.00 43.40 N ATOM 0 H LYS A 20 -8.274 1.123 -0.324 1.00 23.20 H new ATOM 0 HA LYS A 20 -9.972 -0.149 -2.180 1.00 11.40 H new ATOM 0 HB2 LYS A 20 -7.750 1.902 -2.351 1.00 34.10 H new ATOM 0 HB3 LYS A 20 -8.542 1.316 -3.800 1.00 34.10 H new ATOM 0 HG2 LYS A 20 -10.326 2.251 -1.591 1.00 42.10 H new ATOM 0 HG3 LYS A 20 -9.387 3.480 -2.417 1.00 42.10 H new ATOM 0 HD2 LYS A 20 -10.789 1.467 -4.137 1.00 4.01 H new ATOM 0 HD3 LYS A 20 -11.798 2.629 -3.299 1.00 4.01 H new ATOM 0 HE2 LYS A 20 -11.002 4.421 -4.510 1.00 50.30 H new ATOM 0 HE3 LYS A 20 -9.390 3.750 -4.659 1.00 50.30 H new ATOM 0 HZ1 LYS A 20 -10.523 3.787 -6.782 1.00 43.40 H new ATOM 0 HZ2 LYS A 20 -10.224 2.183 -6.312 1.00 43.40 H new ATOM 0 HZ3 LYS A 20 -11.786 2.832 -6.167 1.00 43.40 H new ATOM 176 N ALA A 21 -6.789 -0.992 -2.299 1.00 33.00 N ATOM 177 CA ALA A 21 -5.854 -1.972 -2.839 1.00 72.20 C ATOM 178 C ALA A 21 -6.329 -3.394 -2.561 1.00 73.10 C ATOM 179 O ALA A 21 -6.331 -4.243 -3.452 1.00 71.40 O ATOM 180 CB ALA A 21 -4.466 -1.753 -2.255 1.00 3.42 C ATOM 0 H ALA A 21 -6.386 -0.363 -1.604 1.00 33.00 H new ATOM 0 HA ALA A 21 -5.807 -1.837 -3.920 1.00 72.20 H new ATOM 0 HB1 ALA A 21 -3.778 -2.491 -2.666 1.00 3.42 H new ATOM 0 HB2 ALA A 21 -4.118 -0.752 -2.509 1.00 3.42 H new ATOM 0 HB3 ALA A 21 -4.506 -1.859 -1.171 1.00 3.42 H new ATOM 186 N ALA A 22 -6.731 -3.646 -1.320 1.00 34.40 N ATOM 187 CA ALA A 22 -7.209 -4.966 -0.925 1.00 51.10 C ATOM 188 C ALA A 22 -8.426 -5.378 -1.746 1.00 30.40 C ATOM 189 O ALA A 22 -8.643 -6.562 -2.003 1.00 5.22 O ATOM 190 CB ALA A 22 -7.541 -4.984 0.559 1.00 24.30 C ATOM 0 H ALA A 22 -6.735 -2.954 -0.571 1.00 34.40 H new ATOM 0 HA ALA A 22 -6.413 -5.686 -1.117 1.00 51.10 H new ATOM 0 HB1 ALA A 22 -7.897 -5.975 0.840 1.00 24.30 H new ATOM 0 HB2 ALA A 22 -6.648 -4.742 1.135 1.00 24.30 H new ATOM 0 HB3 ALA A 22 -8.317 -4.248 0.767 1.00 24.30 H new ATOM 196 N GLN A 23 -9.219 -4.392 -2.155 1.00 14.50 N ATOM 197 CA GLN A 23 -10.410 -4.652 -2.947 1.00 23.00 C ATOM 198 C GLN A 23 -10.050 -4.938 -4.401 1.00 22.30 C ATOM 199 O GLN A 23 -10.730 -5.711 -5.079 1.00 43.10 O ATOM 200 CB GLN A 23 -11.370 -3.461 -2.872 1.00 15.30 C ATOM 201 CG GLN A 23 -12.220 -3.443 -1.612 1.00 31.30 C ATOM 202 CD GLN A 23 -13.650 -3.020 -1.882 1.00 1.10 C ATOM 203 OE1 GLN A 23 -13.920 -2.283 -2.829 1.00 12.40 O ATOM 204 NE2 GLN A 23 -14.570 -3.486 -1.048 1.00 12.30 N ATOM 0 H GLN A 23 -9.056 -3.406 -1.949 1.00 14.50 H new ATOM 0 HA GLN A 23 -10.901 -5.533 -2.535 1.00 23.00 H new ATOM 0 HB2 GLN A 23 -10.794 -2.537 -2.925 1.00 15.30 H new ATOM 0 HB3 GLN A 23 -12.026 -3.478 -3.742 1.00 15.30 H new ATOM 0 HG2 GLN A 23 -12.217 -4.436 -1.162 1.00 31.30 H new ATOM 0 HG3 GLN A 23 -11.774 -2.762 -0.887 1.00 31.30 H new ATOM 0 HE21 GLN A 23 -14.297 -4.095 -0.276 1.00 12.30 H new ATOM 0 HE22 GLN A 23 -15.550 -3.236 -1.178 1.00 12.30 H new ATOM 213 N GLU A 24 -8.983 -4.308 -4.875 1.00 64.10 N ATOM 214 CA GLU A 24 -8.533 -4.495 -6.249 1.00 23.10 C ATOM 215 C GLU A 24 -7.974 -5.899 -6.453 1.00 43.50 C ATOM 216 O GLU A 24 -8.387 -6.616 -7.364 1.00 73.40 O ATOM 217 CB GLU A 24 -7.469 -3.454 -6.605 1.00 42.50 C ATOM 218 CG GLU A 24 -8.020 -2.044 -6.741 1.00 3.40 C ATOM 219 CD GLU A 24 -9.157 -1.957 -7.740 1.00 42.30 C ATOM 220 OE1 GLU A 24 -9.260 -2.854 -8.603 1.00 61.30 O ATOM 221 OE2 GLU A 24 -9.946 -0.991 -7.659 1.00 62.30 O ATOM 0 H GLU A 24 -8.413 -3.663 -4.328 1.00 64.10 H new ATOM 0 HA GLU A 24 -9.393 -4.367 -6.907 1.00 23.10 H new ATOM 0 HB2 GLU A 24 -6.695 -3.460 -5.837 1.00 42.50 H new ATOM 0 HB3 GLU A 24 -6.991 -3.741 -7.542 1.00 42.50 H new ATOM 0 HG2 GLU A 24 -8.369 -1.699 -5.768 1.00 3.40 H new ATOM 0 HG3 GLU A 24 -7.218 -1.373 -7.049 1.00 3.40 H new ATOM 228 N ASP A 25 -7.033 -6.286 -5.598 1.00 13.50 N ATOM 229 CA ASP A 25 -6.418 -7.606 -5.685 1.00 44.40 C ATOM 230 C ASP A 25 -7.449 -8.703 -5.442 1.00 11.30 C ATOM 231 O ASP A 25 -7.348 -9.798 -5.995 1.00 70.40 O ATOM 232 CB ASP A 25 -5.278 -7.728 -4.672 1.00 62.20 C ATOM 233 CG ASP A 25 -4.476 -9.002 -4.855 1.00 70.30 C ATOM 234 OD1 ASP A 25 -5.058 -10.090 -4.701 1.00 64.20 O ATOM 235 OD2 ASP A 25 -3.267 -8.905 -5.152 1.00 4.55 O ATOM 0 H ASP A 25 -6.680 -5.705 -4.838 1.00 13.50 H new ATOM 0 HA ASP A 25 -6.016 -7.727 -6.691 1.00 44.40 H new ATOM 0 HB2 ASP A 25 -4.616 -6.868 -4.769 1.00 62.20 H new ATOM 0 HB3 ASP A 25 -5.688 -7.702 -3.662 1.00 62.20 H new ATOM 240 N LYS A 26 -8.441 -8.402 -4.610 1.00 25.30 N ATOM 241 CA LYS A 26 -9.491 -9.362 -4.292 1.00 74.40 C ATOM 242 C LYS A 26 -10.460 -9.516 -5.459 1.00 72.40 C ATOM 243 O LYS A 26 -11.070 -10.570 -5.638 1.00 11.30 O ATOM 244 CB LYS A 26 -10.240 -8.924 -3.038 1.00 54.30 C ATOM 245 CG LYS A 26 -9.644 -9.450 -1.747 1.00 10.30 C ATOM 246 CD LYS A 26 -10.710 -9.745 -0.710 1.00 24.10 C ATOM 247 CE LYS A 26 -11.640 -10.850 -1.172 1.00 25.00 C ATOM 248 NZ LYS A 26 -12.280 -11.560 -0.025 1.00 3.12 N ATOM 0 H LYS A 26 -8.539 -7.500 -4.144 1.00 25.30 H new ATOM 0 HA LYS A 26 -9.025 -10.330 -4.107 1.00 74.40 H new ATOM 0 HB2 LYS A 26 -10.258 -7.835 -3.000 1.00 54.30 H new ATOM 0 HB3 LYS A 26 -11.275 -9.258 -3.111 1.00 54.30 H new ATOM 0 HG2 LYS A 26 -9.077 -10.358 -1.953 1.00 10.30 H new ATOM 0 HG3 LYS A 26 -8.941 -8.719 -1.347 1.00 10.30 H new ATOM 0 HD2 LYS A 26 -10.237 -10.034 0.228 1.00 24.10 H new ATOM 0 HD3 LYS A 26 -11.286 -8.841 -0.511 1.00 24.10 H new ATOM 0 HE2 LYS A 26 -12.413 -10.428 -1.814 1.00 25.00 H new ATOM 0 HE3 LYS A 26 -11.081 -11.566 -1.775 1.00 25.00 H new ATOM 0 HZ1 LYS A 26 -12.907 -12.307 -0.386 1.00 3.12 H new ATOM 0 HZ2 LYS A 26 -11.544 -11.985 0.574 1.00 3.12 H new ATOM 0 HZ3 LYS A 26 -12.835 -10.883 0.536 1.00 3.12 H new ATOM 262 N ALA A 27 -10.600 -8.457 -6.250 1.00 33.40 N ATOM 263 CA ALA A 27 -11.500 -8.477 -7.398 1.00 52.50 C ATOM 264 C ALA A 27 -10.750 -8.804 -8.686 1.00 2.14 C ATOM 265 O ALA A 27 -11.200 -8.463 -9.780 1.00 4.31 O ATOM 266 CB ALA A 27 -12.220 -7.142 -7.529 1.00 54.20 C ATOM 0 H ALA A 27 -10.103 -7.576 -6.118 1.00 33.40 H new ATOM 0 HA ALA A 27 -12.238 -9.262 -7.232 1.00 52.50 H new ATOM 0 HB1 ALA A 27 -12.888 -7.172 -8.390 1.00 54.20 H new ATOM 0 HB2 ALA A 27 -12.800 -6.951 -6.626 1.00 54.20 H new ATOM 0 HB3 ALA A 27 -11.488 -6.346 -7.665 1.00 54.20 H new ATOM 272 N GLY A 28 -9.610 -9.469 -8.553 1.00 53.30 N ATOM 273 CA GLY A 28 -8.823 -9.830 -9.717 1.00 12.40 C ATOM 274 C GLY A 28 -7.755 -8.803 -10.040 1.00 73.50 C ATOM 275 O GLY A 28 -6.635 -9.158 -10.400 1.00 43.10 O ATOM 0 H GLY A 28 -9.216 -9.765 -7.660 1.00 53.30 H new ATOM 0 HA2 GLY A 28 -8.351 -10.798 -9.546 1.00 12.40 H new ATOM 0 HA3 GLY A 28 -9.484 -9.944 -10.576 1.00 12.40 H new ATOM 279 N ASN A 29 -8.103 -7.527 -9.912 1.00 33.40 N ATOM 280 CA ASN A 29 -7.166 -6.445 -10.190 1.00 74.40 C ATOM 281 C ASN A 29 -5.912 -6.567 -9.337 1.00 23.30 C ATOM 282 O ASN A 29 -5.873 -6.082 -8.207 1.00 61.20 O ATOM 283 CB ASN A 29 -7.832 -5.089 -9.960 1.00 24.50 C ATOM 284 CG ASN A 29 -8.745 -4.685 -11.100 1.00 0.42 C ATOM 285 OD1 ASN A 29 -9.110 -5.508 -11.940 1.00 21.50 O ATOM 286 ND2 ASN A 29 -9.120 -3.412 -11.130 1.00 24.30 N ATOM 0 H ASN A 29 -9.029 -7.217 -9.617 1.00 33.40 H new ATOM 0 HA ASN A 29 -6.871 -6.521 -11.237 1.00 74.40 H new ATOM 0 HB2 ASN A 29 -8.407 -5.123 -9.034 1.00 24.50 H new ATOM 0 HB3 ASN A 29 -7.062 -4.328 -9.829 1.00 24.50 H new ATOM 0 HD21 ASN A 29 -9.737 -3.079 -11.871 1.00 24.30 H new ATOM 0 HD22 ASN A 29 -8.792 -2.767 -10.412 1.00 24.30 H new ATOM 293 N TYR A 30 -4.887 -7.215 -9.882 1.00 11.40 N ATOM 294 CA TYR A 30 -3.631 -7.399 -9.165 1.00 65.50 C ATOM 295 C TYR A 30 -2.676 -6.241 -9.435 1.00 72.50 C ATOM 296 O TYR A 30 -2.032 -5.728 -8.520 1.00 44.00 O ATOM 297 CB TYR A 30 -2.976 -8.721 -9.572 1.00 14.40 C ATOM 298 CG TYR A 30 -3.348 -9.883 -8.679 1.00 54.40 C ATOM 299 CD1 TYR A 30 -4.654 -10.050 -8.237 1.00 44.50 C ATOM 300 CD2 TYR A 30 -2.392 -10.800 -8.277 1.00 51.10 C ATOM 301 CE1 TYR A 30 -4.997 -11.110 -7.421 1.00 20.40 C ATOM 302 CE2 TYR A 30 -2.727 -11.870 -7.461 1.00 51.00 C ATOM 303 CZ TYR A 30 -4.030 -12.020 -7.036 1.00 43.10 C ATOM 304 OH TYR A 30 -4.368 -13.080 -6.224 1.00 20.50 O ATOM 0 H TYR A 30 -4.902 -7.621 -10.818 1.00 11.40 H new ATOM 0 HA TYR A 30 -3.851 -7.424 -8.098 1.00 65.50 H new ATOM 0 HB2 TYR A 30 -3.260 -8.957 -10.598 1.00 14.40 H new ATOM 0 HB3 TYR A 30 -1.893 -8.598 -9.562 1.00 14.40 H new ATOM 0 HD1 TYR A 30 -5.412 -9.341 -8.536 1.00 44.50 H new ATOM 0 HD2 TYR A 30 -1.370 -10.680 -8.604 1.00 51.10 H new ATOM 0 HE1 TYR A 30 -6.017 -11.228 -7.085 1.00 20.40 H new ATOM 0 HE2 TYR A 30 -1.972 -12.581 -7.160 1.00 51.00 H new ATOM 0 HH TYR A 30 -3.572 -13.625 -6.049 1.00 20.50 H new ATOM 314 N GLU A 31 -2.590 -5.834 -10.690 1.00 52.10 N ATOM 315 CA GLU A 31 -1.714 -4.736 -11.080 1.00 32.40 C ATOM 316 C GLU A 31 -2.097 -3.449 -10.360 1.00 32.00 C ATOM 317 O GLU A 31 -1.265 -2.823 -9.710 1.00 64.20 O ATOM 318 CB GLU A 31 -1.775 -4.522 -12.600 1.00 53.10 C ATOM 319 CG GLU A 31 -1.258 -5.705 -13.400 1.00 41.30 C ATOM 320 CD GLU A 31 -1.662 -5.639 -14.860 1.00 35.50 C ATOM 321 OE1 GLU A 31 -1.111 -4.790 -15.590 1.00 32.10 O ATOM 322 OE2 GLU A 31 -2.531 -6.437 -15.270 1.00 61.40 O ATOM 0 H GLU A 31 -3.116 -6.247 -11.460 1.00 52.10 H new ATOM 0 HA GLU A 31 -0.695 -5.000 -10.795 1.00 32.40 H new ATOM 0 HB2 GLU A 31 -2.806 -4.321 -12.889 1.00 53.10 H new ATOM 0 HB3 GLU A 31 -1.193 -3.637 -12.858 1.00 53.10 H new ATOM 0 HG2 GLU A 31 -0.171 -5.741 -13.328 1.00 41.30 H new ATOM 0 HG3 GLU A 31 -1.637 -6.629 -12.963 1.00 41.30 H new ATOM 329 N GLU A 32 -3.362 -3.061 -10.490 1.00 53.30 N ATOM 330 CA GLU A 32 -3.856 -1.849 -9.848 1.00 14.30 C ATOM 331 C GLU A 32 -3.691 -1.929 -8.334 1.00 20.40 C ATOM 332 O GLU A 32 -3.477 -0.916 -7.668 1.00 53.30 O ATOM 333 CB GLU A 32 -5.327 -1.622 -10.200 1.00 30.00 C ATOM 334 CG GLU A 32 -5.783 -0.184 -10.010 1.00 65.10 C ATOM 335 CD GLU A 32 -5.736 0.611 -11.300 1.00 34.40 C ATOM 336 OE1 GLU A 32 -5.924 0.007 -12.380 1.00 74.40 O ATOM 337 OE2 GLU A 32 -5.512 1.838 -11.240 1.00 45.20 O ATOM 0 H GLU A 32 -4.062 -3.567 -11.033 1.00 53.30 H new ATOM 0 HA GLU A 32 -3.268 -1.008 -10.216 1.00 14.30 H new ATOM 0 HB2 GLU A 32 -5.493 -1.913 -11.237 1.00 30.00 H new ATOM 0 HB3 GLU A 32 -5.945 -2.275 -9.583 1.00 30.00 H new ATOM 0 HG2 GLU A 32 -6.800 -0.177 -9.618 1.00 65.10 H new ATOM 0 HG3 GLU A 32 -5.151 0.299 -9.265 1.00 65.10 H new ATOM 344 N ALA A 33 -3.792 -3.141 -7.797 1.00 43.40 N ATOM 345 CA ALA A 33 -3.653 -3.354 -6.362 1.00 64.40 C ATOM 346 C ALA A 33 -2.210 -3.151 -5.914 1.00 45.30 C ATOM 347 O ALA A 33 -1.953 -2.615 -4.836 1.00 40.30 O ATOM 348 CB ALA A 33 -4.133 -4.748 -5.987 1.00 33.40 C ATOM 0 H ALA A 33 -3.970 -3.990 -8.334 1.00 43.40 H new ATOM 0 HA ALA A 33 -4.272 -2.618 -5.849 1.00 64.40 H new ATOM 0 HB1 ALA A 33 -4.024 -4.894 -4.912 1.00 33.40 H new ATOM 0 HB2 ALA A 33 -5.182 -4.858 -6.263 1.00 33.40 H new ATOM 0 HB3 ALA A 33 -3.538 -5.492 -6.516 1.00 33.40 H new ATOM 354 N LEU A 34 -1.270 -3.584 -6.749 1.00 50.30 N ATOM 355 CA LEU A 34 0.148 -3.450 -6.439 1.00 13.40 C ATOM 356 C LEU A 34 0.530 -1.984 -6.260 1.00 75.20 C ATOM 357 O LEU A 34 1.249 -1.629 -5.326 1.00 11.10 O ATOM 358 CB LEU A 34 0.995 -4.078 -7.547 1.00 21.30 C ATOM 359 CG LEU A 34 2.505 -4.050 -7.303 1.00 23.10 C ATOM 360 CD1 LEU A 34 2.853 -4.799 -6.027 1.00 13.00 C ATOM 361 CD2 LEU A 34 3.247 -4.643 -8.492 1.00 31.20 C ATOM 0 H LEU A 34 -1.465 -4.030 -7.645 1.00 50.30 H new ATOM 0 HA LEU A 34 0.341 -3.974 -5.503 1.00 13.40 H new ATOM 0 HB2 LEU A 34 0.683 -5.114 -7.679 1.00 21.30 H new ATOM 0 HB3 LEU A 34 0.784 -3.560 -8.483 1.00 21.30 H new ATOM 0 HG LEU A 34 2.817 -3.012 -7.186 1.00 23.10 H new ATOM 0 HD11 LEU A 34 3.931 -4.769 -5.870 1.00 13.00 H new ATOM 0 HD12 LEU A 34 2.350 -4.331 -5.181 1.00 13.00 H new ATOM 0 HD13 LEU A 34 2.528 -5.836 -6.114 1.00 13.00 H new ATOM 0 HD21 LEU A 34 4.320 -4.615 -8.302 1.00 31.20 H new ATOM 0 HD22 LEU A 34 2.931 -5.676 -8.640 1.00 31.20 H new ATOM 0 HD23 LEU A 34 3.022 -4.063 -9.387 1.00 31.20 H new ATOM 373 N GLN A 35 0.044 -1.137 -7.161 1.00 42.30 N ATOM 374 CA GLN A 35 0.333 0.291 -7.103 1.00 61.30 C ATOM 375 C GLN A 35 -0.290 0.922 -5.862 1.00 73.20 C ATOM 376 O GLN A 35 0.281 1.834 -5.264 1.00 71.00 O ATOM 377 CB GLN A 35 -0.186 0.990 -8.360 1.00 14.20 C ATOM 378 CG GLN A 35 0.817 1.014 -9.502 1.00 13.00 C ATOM 379 CD GLN A 35 1.670 2.267 -9.503 1.00 74.10 C ATOM 380 OE1 GLN A 35 2.077 2.755 -8.448 1.00 52.00 O ATOM 381 NE2 GLN A 35 1.945 2.795 -10.690 1.00 51.20 N ATOM 0 H GLN A 35 -0.552 -1.415 -7.941 1.00 42.30 H new ATOM 0 HA GLN A 35 1.415 0.415 -7.048 1.00 61.30 H new ATOM 0 HB2 GLN A 35 -1.094 0.489 -8.696 1.00 14.20 H new ATOM 0 HB3 GLN A 35 -0.462 2.014 -8.108 1.00 14.20 H new ATOM 0 HG2 GLN A 35 1.463 0.139 -9.431 1.00 13.00 H new ATOM 0 HG3 GLN A 35 0.284 0.941 -10.450 1.00 13.00 H new ATOM 0 HE21 GLN A 35 1.587 2.357 -11.538 1.00 51.20 H new ATOM 0 HE22 GLN A 35 2.515 3.639 -10.753 1.00 51.20 H new ATOM 390 N LEU A 36 -1.463 0.429 -5.480 1.00 14.30 N ATOM 391 CA LEU A 36 -2.164 0.944 -4.309 1.00 52.50 C ATOM 392 C LEU A 36 -1.505 0.457 -3.023 1.00 52.30 C ATOM 393 O LEU A 36 -1.392 1.204 -2.050 1.00 34.20 O ATOM 394 CB LEU A 36 -3.632 0.516 -4.338 1.00 70.30 C ATOM 395 CG LEU A 36 -4.420 0.986 -5.562 1.00 61.00 C ATOM 396 CD1 LEU A 36 -5.578 0.043 -5.846 1.00 32.00 C ATOM 397 CD2 LEU A 36 -4.924 2.407 -5.356 1.00 40.30 C ATOM 0 H LEU A 36 -1.948 -0.326 -5.964 1.00 14.30 H new ATOM 0 HA LEU A 36 -2.110 2.032 -4.334 1.00 52.50 H new ATOM 0 HB2 LEU A 36 -3.678 -0.572 -4.291 1.00 70.30 H new ATOM 0 HB3 LEU A 36 -4.123 0.895 -3.442 1.00 70.30 H new ATOM 0 HG LEU A 36 -3.754 0.979 -6.425 1.00 61.00 H new ATOM 0 HD11 LEU A 36 -6.127 0.394 -6.720 1.00 32.00 H new ATOM 0 HD12 LEU A 36 -5.193 -0.959 -6.037 1.00 32.00 H new ATOM 0 HD13 LEU A 36 -6.246 0.017 -4.985 1.00 32.00 H new ATOM 0 HD21 LEU A 36 -5.483 2.726 -6.236 1.00 40.30 H new ATOM 0 HD22 LEU A 36 -5.574 2.439 -4.482 1.00 40.30 H new ATOM 0 HD23 LEU A 36 -4.076 3.075 -5.202 1.00 40.30 H new ATOM 409 N TYR A 37 -1.073 -0.799 -3.025 1.00 75.40 N ATOM 410 CA TYR A 37 -0.425 -1.386 -1.857 1.00 51.40 C ATOM 411 C TYR A 37 0.843 -0.620 -1.496 1.00 63.40 C ATOM 412 O TYR A 37 1.080 -0.306 -0.330 1.00 14.00 O ATOM 413 CB TYR A 37 -0.089 -2.856 -2.119 1.00 11.50 C ATOM 414 CG TYR A 37 -1.304 -3.753 -2.186 1.00 32.10 C ATOM 415 CD1 TYR A 37 -2.339 -3.624 -1.268 1.00 51.50 C ATOM 416 CD2 TYR A 37 -1.417 -4.729 -3.168 1.00 54.30 C ATOM 417 CE1 TYR A 37 -3.451 -4.443 -1.326 1.00 3.13 C ATOM 418 CE2 TYR A 37 -2.526 -5.552 -3.233 1.00 1.21 C ATOM 419 CZ TYR A 37 -3.539 -5.404 -2.310 1.00 72.40 C ATOM 420 OH TYR A 37 -4.645 -6.221 -2.372 1.00 71.40 O ATOM 0 H TYR A 37 -1.159 -1.430 -3.821 1.00 75.40 H new ATOM 0 HA TYR A 37 -1.118 -1.322 -1.018 1.00 51.40 H new ATOM 0 HB2 TYR A 37 0.461 -2.933 -3.057 1.00 11.50 H new ATOM 0 HB3 TYR A 37 0.574 -3.214 -1.331 1.00 11.50 H new ATOM 0 HD1 TYR A 37 -2.274 -2.871 -0.496 1.00 51.50 H new ATOM 0 HD2 TYR A 37 -0.625 -4.847 -3.893 1.00 54.30 H new ATOM 0 HE1 TYR A 37 -4.246 -4.330 -0.604 1.00 3.13 H new ATOM 0 HE2 TYR A 37 -2.598 -6.306 -4.002 1.00 1.21 H new ATOM 0 HH TYR A 37 -5.365 -5.762 -2.853 1.00 71.40 H new ATOM 430 N GLN A 38 1.656 -0.322 -2.505 1.00 11.20 N ATOM 431 CA GLN A 38 2.900 0.408 -2.293 1.00 24.30 C ATOM 432 C GLN A 38 2.624 1.824 -1.799 1.00 70.30 C ATOM 433 O GLN A 38 3.341 2.346 -0.946 1.00 44.50 O ATOM 434 CB GLN A 38 3.713 0.457 -3.588 1.00 74.40 C ATOM 435 CG GLN A 38 4.361 -0.869 -3.951 1.00 10.40 C ATOM 436 CD GLN A 38 4.849 -0.907 -5.386 1.00 54.40 C ATOM 437 OE1 GLN A 38 4.675 0.052 -6.138 1.00 15.40 O ATOM 438 NE2 GLN A 38 5.464 -2.018 -5.773 1.00 4.43 N ATOM 0 H GLN A 38 1.475 -0.575 -3.477 1.00 11.20 H new ATOM 0 HA GLN A 38 3.474 -0.117 -1.530 1.00 24.30 H new ATOM 0 HB2 GLN A 38 3.062 0.769 -4.404 1.00 74.40 H new ATOM 0 HB3 GLN A 38 4.489 1.216 -3.491 1.00 74.40 H new ATOM 0 HG2 GLN A 38 5.200 -1.054 -3.281 1.00 10.40 H new ATOM 0 HG3 GLN A 38 3.644 -1.675 -3.794 1.00 10.40 H new ATOM 0 HE21 GLN A 38 5.586 -2.788 -5.116 1.00 4.43 H new ATOM 0 HE22 GLN A 38 5.814 -2.101 -6.727 1.00 4.43 H new ATOM 447 N HIS A 39 1.579 2.441 -2.342 1.00 0.05 N ATOM 448 CA HIS A 39 1.207 3.797 -1.956 1.00 14.10 C ATOM 449 C HIS A 39 0.879 3.869 -0.469 1.00 45.40 C ATOM 450 O HIS A 39 1.348 4.761 0.239 1.00 25.30 O ATOM 451 CB HIS A 39 0.008 4.273 -2.779 1.00 11.20 C ATOM 452 CG HIS A 39 0.392 4.970 -4.047 1.00 54.20 C ATOM 453 ND1 HIS A 39 -0.511 5.660 -4.829 1.00 21.20 N ATOM 454 CD2 HIS A 39 1.589 5.083 -4.669 1.00 34.30 C ATOM 455 CE1 HIS A 39 0.115 6.166 -5.878 1.00 34.50 C ATOM 456 NE2 HIS A 39 1.389 5.830 -5.804 1.00 13.10 N ATOM 0 H HIS A 39 0.975 2.023 -3.050 1.00 0.05 H new ATOM 0 HA HIS A 39 2.057 4.450 -2.154 1.00 14.10 H new ATOM 0 HB2 HIS A 39 -0.620 3.415 -3.021 1.00 11.20 H new ATOM 0 HB3 HIS A 39 -0.595 4.948 -2.171 1.00 11.20 H new ATOM 0 HD2 HIS A 39 2.527 4.664 -4.335 1.00 34.30 H new ATOM 0 HE1 HIS A 39 -0.339 6.754 -6.662 1.00 34.50 H new ATOM 0 HE2 HIS A 39 2.109 6.084 -6.480 1.00 13.10 H new ATOM 465 N ALA A 40 0.069 2.924 0.000 1.00 42.40 N ATOM 466 CA ALA A 40 -0.323 2.880 1.404 1.00 71.40 C ATOM 467 C ALA A 40 0.898 2.789 2.314 1.00 3.02 C ATOM 468 O ALA A 40 0.990 3.494 3.318 1.00 71.30 O ATOM 469 CB ALA A 40 -1.257 1.706 1.653 1.00 5.51 C ATOM 0 H ALA A 40 -0.328 2.179 -0.572 1.00 42.40 H new ATOM 0 HA ALA A 40 -0.849 3.806 1.638 1.00 71.40 H new ATOM 0 HB1 ALA A 40 -1.542 1.685 2.705 1.00 5.51 H new ATOM 0 HB2 ALA A 40 -2.150 1.814 1.037 1.00 5.51 H new ATOM 0 HB3 ALA A 40 -0.749 0.776 1.396 1.00 5.51 H new ATOM 475 N VAL A 41 1.834 1.917 1.954 1.00 13.30 N ATOM 476 CA VAL A 41 3.050 1.734 2.738 1.00 30.40 C ATOM 477 C VAL A 41 3.885 3.010 2.758 1.00 35.40 C ATOM 478 O VAL A 41 4.418 3.398 3.798 1.00 4.22 O ATOM 479 CB VAL A 41 3.908 0.580 2.185 1.00 74.10 C ATOM 480 CG1 VAL A 41 5.091 0.305 3.101 1.00 63.50 C ATOM 481 CG2 VAL A 41 3.065 -0.674 2.002 1.00 44.20 C ATOM 0 H VAL A 41 1.774 1.326 1.125 1.00 13.30 H new ATOM 0 HA VAL A 41 2.739 1.489 3.754 1.00 30.40 H new ATOM 0 HB VAL A 41 4.294 0.876 1.210 1.00 74.10 H new ATOM 0 HG11 VAL A 41 5.685 -0.513 2.693 1.00 63.50 H new ATOM 0 HG12 VAL A 41 5.709 1.200 3.176 1.00 63.50 H new ATOM 0 HG13 VAL A 41 4.728 0.031 4.092 1.00 63.50 H new ATOM 0 HG21 VAL A 41 3.689 -1.478 1.611 1.00 44.20 H new ATOM 0 HG22 VAL A 41 2.646 -0.974 2.963 1.00 44.20 H new ATOM 0 HG23 VAL A 41 2.255 -0.469 1.302 1.00 44.20 H new ATOM 491 N GLN A 42 3.994 3.658 1.603 1.00 64.40 N ATOM 492 CA GLN A 42 4.765 4.891 1.488 1.00 40.40 C ATOM 493 C GLN A 42 4.203 5.972 2.406 1.00 40.20 C ATOM 494 O GLN A 42 4.951 6.658 3.103 1.00 61.30 O ATOM 495 CB GLN A 42 4.764 5.384 0.040 1.00 13.20 C ATOM 496 CG GLN A 42 5.615 4.536 -0.892 1.00 54.00 C ATOM 497 CD GLN A 42 6.994 5.124 -1.118 1.00 53.10 C ATOM 498 OE1 GLN A 42 7.994 4.595 -0.634 1.00 33.20 O ATOM 499 NE2 GLN A 42 7.053 6.226 -1.858 1.00 43.30 N ATOM 0 H GLN A 42 3.558 3.350 0.734 1.00 64.40 H new ATOM 0 HA GLN A 42 5.790 4.679 1.792 1.00 40.40 H new ATOM 0 HB2 GLN A 42 3.739 5.398 -0.330 1.00 13.20 H new ATOM 0 HB3 GLN A 42 5.126 6.412 0.015 1.00 13.20 H new ATOM 0 HG2 GLN A 42 5.715 3.534 -0.476 1.00 54.00 H new ATOM 0 HG3 GLN A 42 5.106 4.434 -1.850 1.00 54.00 H new ATOM 0 HE21 GLN A 42 6.198 6.631 -2.239 1.00 43.30 H new ATOM 0 HE22 GLN A 42 7.953 6.667 -2.045 1.00 43.30 H new ATOM 508 N TYR A 43 2.882 6.117 2.402 1.00 31.00 N ATOM 509 CA TYR A 43 2.220 7.115 3.234 1.00 1.54 C ATOM 510 C TYR A 43 2.281 6.722 4.707 1.00 24.40 C ATOM 511 O TYR A 43 2.335 7.582 5.586 1.00 73.30 O ATOM 512 CB TYR A 43 0.764 7.287 2.799 1.00 42.20 C ATOM 513 CG TYR A 43 0.610 7.864 1.410 1.00 65.40 C ATOM 514 CD1 TYR A 43 1.084 9.134 1.108 1.00 14.50 C ATOM 515 CD2 TYR A 43 -0.008 7.137 0.400 1.00 21.50 C ATOM 516 CE1 TYR A 43 0.945 9.664 -0.161 1.00 23.20 C ATOM 517 CE2 TYR A 43 -0.150 7.660 -0.871 1.00 54.30 C ATOM 518 CZ TYR A 43 0.327 8.923 -1.146 1.00 5.21 C ATOM 519 OH TYR A 43 0.188 9.448 -2.411 1.00 22.50 O ATOM 0 H TYR A 43 2.249 5.556 1.832 1.00 31.00 H new ATOM 0 HA TYR A 43 2.743 8.063 3.108 1.00 1.54 H new ATOM 0 HB2 TYR A 43 0.265 6.319 2.838 1.00 42.20 H new ATOM 0 HB3 TYR A 43 0.255 7.936 3.511 1.00 42.20 H new ATOM 0 HD1 TYR A 43 1.569 9.717 1.877 1.00 14.50 H new ATOM 0 HD2 TYR A 43 -0.384 6.147 0.612 1.00 21.50 H new ATOM 0 HE1 TYR A 43 1.319 10.653 -0.380 1.00 23.20 H new ATOM 0 HE2 TYR A 43 -0.632 7.082 -1.645 1.00 54.30 H new ATOM 0 HH TYR A 43 -0.268 8.799 -2.986 1.00 22.50 H new ATOM 529 N PHE A 44 2.271 5.419 4.968 1.00 2.20 N ATOM 530 CA PHE A 44 2.324 4.913 6.334 1.00 52.40 C ATOM 531 C PHE A 44 3.715 5.104 6.930 1.00 63.10 C ATOM 532 O PHE A 44 3.862 5.624 8.036 1.00 3.24 O ATOM 533 CB PHE A 44 1.941 3.433 6.368 1.00 34.10 C ATOM 534 CG PHE A 44 0.457 3.197 6.357 1.00 14.40 C ATOM 535 CD1 PHE A 44 -0.379 3.920 7.192 1.00 55.20 C ATOM 536 CD2 PHE A 44 -0.100 2.252 5.510 1.00 5.22 C ATOM 537 CE1 PHE A 44 -1.744 3.705 7.184 1.00 54.30 C ATOM 538 CE2 PHE A 44 -1.465 2.032 5.497 1.00 32.20 C ATOM 539 CZ PHE A 44 -2.288 2.760 6.335 1.00 75.00 C ATOM 0 H PHE A 44 2.227 4.695 4.251 1.00 2.20 H new ATOM 0 HA PHE A 44 1.610 5.479 6.933 1.00 52.40 H new ATOM 0 HB2 PHE A 44 2.387 2.931 5.510 1.00 34.10 H new ATOM 0 HB3 PHE A 44 2.367 2.976 7.261 1.00 34.10 H new ATOM 0 HD1 PHE A 44 0.041 4.660 7.857 1.00 55.20 H new ATOM 0 HD2 PHE A 44 0.539 1.681 4.853 1.00 5.22 H new ATOM 0 HE1 PHE A 44 -2.385 4.275 7.840 1.00 54.30 H new ATOM 0 HE2 PHE A 44 -1.887 1.292 4.833 1.00 32.20 H new ATOM 0 HZ PHE A 44 -3.355 2.591 6.326 1.00 75.00 H new ATOM 549 N LEU A 45 4.733 4.680 6.189 1.00 5.11 N ATOM 550 CA LEU A 45 6.114 4.803 6.643 1.00 60.30 C ATOM 551 C LEU A 45 6.478 6.265 6.886 1.00 21.10 C ATOM 552 O LEU A 45 7.294 6.576 7.753 1.00 33.10 O ATOM 553 CB LEU A 45 7.067 4.191 5.614 1.00 4.23 C ATOM 554 CG LEU A 45 7.359 2.701 5.805 1.00 52.50 C ATOM 555 CD1 LEU A 45 6.065 1.913 5.935 1.00 10.20 C ATOM 556 CD2 LEU A 45 8.194 2.171 4.649 1.00 14.10 C ATOM 0 H LEU A 45 4.628 4.248 5.271 1.00 5.11 H new ATOM 0 HA LEU A 45 6.211 4.262 7.584 1.00 60.30 H new ATOM 0 HB2 LEU A 45 6.646 4.338 4.619 1.00 4.23 H new ATOM 0 HB3 LEU A 45 8.010 4.737 5.645 1.00 4.23 H new ATOM 0 HG LEU A 45 7.928 2.578 6.727 1.00 52.50 H new ATOM 0 HD11 LEU A 45 6.295 0.856 6.070 1.00 10.20 H new ATOM 0 HD12 LEU A 45 5.503 2.275 6.796 1.00 10.20 H new ATOM 0 HD13 LEU A 45 5.468 2.042 5.032 1.00 10.20 H new ATOM 0 HD21 LEU A 45 8.393 1.110 4.800 1.00 14.10 H new ATOM 0 HD22 LEU A 45 7.650 2.309 3.714 1.00 14.10 H new ATOM 0 HD23 LEU A 45 9.138 2.714 4.603 1.00 14.10 H new ATOM 568 N HIS A 46 5.866 7.158 6.115 1.00 72.30 N ATOM 569 CA HIS A 46 6.125 8.587 6.247 1.00 3.53 C ATOM 570 C HIS A 46 5.552 9.125 7.553 1.00 3.43 C ATOM 571 O HIS A 46 6.172 9.955 8.219 1.00 64.00 O ATOM 572 CB HIS A 46 5.526 9.346 5.062 1.00 43.20 C ATOM 573 CG HIS A 46 5.809 10.816 5.088 1.00 10.40 C ATOM 574 ND1 HIS A 46 5.092 11.848 5.595 1.00 43.40 N flip ATOM 575 CD2 HIS A 46 6.949 11.374 4.548 1.00 1.14 C flip ATOM 576 CE1 HIS A 46 5.805 12.996 5.353 1.00 51.20 C flip ATOM 577 NE2 HIS A 46 6.921 12.683 4.721 1.00 3.24 N flip ATOM 0 H HIS A 46 5.187 6.917 5.392 1.00 72.30 H new ATOM 0 HA HIS A 46 7.205 8.736 6.257 1.00 3.53 H new ATOM 0 HB2 HIS A 46 5.918 8.925 4.136 1.00 43.20 H new ATOM 0 HB3 HIS A 46 4.447 9.192 5.050 1.00 43.20 H new ATOM 0 HD2 HIS A 46 7.741 10.826 4.060 1.00 1.14 H new ATOM 0 HE1 HIS A 46 5.502 13.994 5.634 1.00 51.20 H new ATOM 0 HE2 HIS A 46 7.640 13.340 4.418 1.00 3.24 H new ATOM 586 N VAL A 47 4.366 8.648 7.914 1.00 35.00 N ATOM 587 CA VAL A 47 3.709 9.081 9.142 1.00 13.30 C ATOM 588 C VAL A 47 4.432 8.542 10.371 1.00 43.50 C ATOM 589 O VAL A 47 4.815 9.301 11.261 1.00 11.10 O ATOM 590 CB VAL A 47 2.237 8.626 9.184 1.00 22.10 C ATOM 591 CG1 VAL A 47 1.527 9.218 10.392 1.00 61.30 C ATOM 592 CG2 VAL A 47 1.521 9.006 7.896 1.00 33.10 C ATOM 0 H VAL A 47 3.840 7.961 7.374 1.00 35.00 H new ATOM 0 HA VAL A 47 3.744 10.170 9.152 1.00 13.30 H new ATOM 0 HB VAL A 47 2.216 7.540 9.276 1.00 22.10 H new ATOM 0 HG11 VAL A 47 0.489 8.885 10.403 1.00 61.30 H new ATOM 0 HG12 VAL A 47 2.024 8.888 11.304 1.00 61.30 H new ATOM 0 HG13 VAL A 47 1.558 10.306 10.335 1.00 61.30 H new ATOM 0 HG21 VAL A 47 0.483 8.676 7.946 1.00 33.10 H new ATOM 0 HG22 VAL A 47 1.552 10.088 7.768 1.00 33.10 H new ATOM 0 HG23 VAL A 47 2.014 8.526 7.050 1.00 33.10 H new ATOM 602 N VAL A 48 4.617 7.226 10.413 1.00 41.00 N ATOM 603 CA VAL A 48 5.294 6.585 11.533 1.00 23.20 C ATOM 604 C VAL A 48 6.716 7.114 11.691 1.00 25.40 C ATOM 605 O VAL A 48 7.176 7.362 12.805 1.00 21.40 O ATOM 606 CB VAL A 48 5.345 5.055 11.359 1.00 1.15 C ATOM 607 CG1 VAL A 48 5.874 4.391 12.620 1.00 1.43 C ATOM 608 CG2 VAL A 48 3.970 4.514 10.998 1.00 62.50 C ATOM 0 H VAL A 48 4.307 6.584 9.684 1.00 41.00 H new ATOM 0 HA VAL A 48 4.718 6.822 12.428 1.00 23.20 H new ATOM 0 HB VAL A 48 6.028 4.823 10.542 1.00 1.15 H new ATOM 0 HG11 VAL A 48 5.903 3.311 12.478 1.00 1.43 H new ATOM 0 HG12 VAL A 48 6.879 4.756 12.829 1.00 1.43 H new ATOM 0 HG13 VAL A 48 5.220 4.629 13.459 1.00 1.43 H new ATOM 0 HG21 VAL A 48 4.025 3.432 10.879 1.00 62.50 H new ATOM 0 HG22 VAL A 48 3.264 4.757 11.792 1.00 62.50 H new ATOM 0 HG23 VAL A 48 3.635 4.965 10.064 1.00 62.50 H new ATOM 618 N LYS A 49 7.406 7.284 10.569 1.00 74.30 N ATOM 619 CA LYS A 49 8.776 7.784 10.583 1.00 71.30 C ATOM 620 C LYS A 49 8.824 9.228 11.071 1.00 13.00 C ATOM 621 O LYS A 49 9.753 9.626 11.774 1.00 31.40 O ATOM 622 CB LYS A 49 9.392 7.685 9.186 1.00 64.40 C ATOM 623 CG LYS A 49 10.872 8.026 9.148 1.00 13.50 C ATOM 624 CD LYS A 49 11.331 8.361 7.738 1.00 42.10 C ATOM 625 CE LYS A 49 11.391 9.863 7.513 1.00 25.10 C ATOM 626 NZ LYS A 49 12.544 10.485 8.220 1.00 31.40 N ATOM 0 H LYS A 49 7.040 7.083 9.639 1.00 74.30 H new ATOM 0 HA LYS A 49 9.354 7.168 11.272 1.00 71.30 H new ATOM 0 HB2 LYS A 49 9.251 6.673 8.807 1.00 64.40 H new ATOM 0 HB3 LYS A 49 8.856 8.355 8.513 1.00 64.40 H new ATOM 0 HG2 LYS A 49 11.068 8.872 9.806 1.00 13.50 H new ATOM 0 HG3 LYS A 49 11.450 7.184 9.530 1.00 13.50 H new ATOM 0 HD2 LYS A 49 12.315 7.926 7.562 1.00 42.10 H new ATOM 0 HD3 LYS A 49 10.650 7.911 7.016 1.00 42.10 H new ATOM 0 HE2 LYS A 49 11.467 10.067 6.445 1.00 25.10 H new ATOM 0 HE3 LYS A 49 10.464 10.319 7.860 1.00 25.10 H new ATOM 0 HZ1 LYS A 49 12.693 11.449 7.860 1.00 31.40 H new ATOM 0 HZ2 LYS A 49 12.346 10.523 9.240 1.00 31.40 H new ATOM 0 HZ3 LYS A 49 13.400 9.918 8.054 1.00 31.40 H new ATOM 640 N TYR A 50 7.816 10.008 10.694 1.00 22.40 N ATOM 641 CA TYR A 50 7.742 11.408 11.094 1.00 1.30 C ATOM 642 C TYR A 50 7.156 11.544 12.496 1.00 41.20 C ATOM 643 O TYR A 50 7.855 11.913 13.439 1.00 55.40 O ATOM 644 CB TYR A 50 6.898 12.202 10.096 1.00 31.40 C ATOM 645 CG TYR A 50 7.668 12.657 8.877 1.00 32.30 C ATOM 646 CD1 TYR A 50 8.354 11.745 8.085 1.00 63.20 C ATOM 647 CD2 TYR A 50 7.710 13.999 8.519 1.00 63.40 C ATOM 648 CE1 TYR A 50 9.059 12.156 6.970 1.00 34.10 C ATOM 649 CE2 TYR A 50 8.413 14.418 7.405 1.00 32.00 C ATOM 650 CZ TYR A 50 9.086 13.493 6.635 1.00 41.10 C ATOM 651 OH TYR A 50 9.787 13.907 5.525 1.00 31.40 O ATOM 0 H TYR A 50 7.039 9.694 10.112 1.00 22.40 H new ATOM 0 HA TYR A 50 8.755 11.811 11.103 1.00 1.30 H new ATOM 0 HB2 TYR A 50 6.057 11.588 9.775 1.00 31.40 H new ATOM 0 HB3 TYR A 50 6.482 13.075 10.599 1.00 31.40 H new ATOM 0 HD1 TYR A 50 8.336 10.697 8.345 1.00 63.20 H new ATOM 0 HD2 TYR A 50 7.185 14.726 9.121 1.00 63.40 H new ATOM 0 HE1 TYR A 50 9.586 11.434 6.364 1.00 34.10 H new ATOM 0 HE2 TYR A 50 8.435 15.465 7.139 1.00 32.00 H new ATOM 0 HH TYR A 50 9.704 14.879 5.429 1.00 31.40 H new ATOM 661 N GLU A 51 5.868 11.243 12.624 1.00 53.10 N ATOM 662 CA GLU A 51 5.187 11.332 13.911 1.00 42.10 C ATOM 663 C GLU A 51 3.805 10.690 13.840 1.00 51.40 C ATOM 664 O GLU A 51 2.825 11.341 13.478 1.00 24.10 O ATOM 665 CB GLU A 51 5.062 12.793 14.346 1.00 45.30 C ATOM 666 CG GLU A 51 4.597 13.721 13.235 1.00 21.20 C ATOM 667 CD GLU A 51 3.864 14.939 13.762 1.00 3.53 C ATOM 668 OE1 GLU A 51 4.461 15.692 14.559 1.00 31.20 O ATOM 669 OE2 GLU A 51 2.693 15.140 13.376 1.00 75.10 O ATOM 0 H GLU A 51 5.275 10.936 11.853 1.00 53.10 H new ATOM 0 HA GLU A 51 5.782 10.791 14.647 1.00 42.10 H new ATOM 0 HB2 GLU A 51 4.361 12.857 15.178 1.00 45.30 H new ATOM 0 HB3 GLU A 51 6.028 13.137 14.715 1.00 45.30 H new ATOM 0 HG2 GLU A 51 5.459 14.044 12.652 1.00 21.20 H new ATOM 0 HG3 GLU A 51 3.942 13.172 12.558 1.00 21.20 H new ATOM 676 N ALA A 52 3.734 9.410 14.189 1.00 2.40 N ATOM 677 CA ALA A 52 2.472 8.680 14.166 1.00 31.30 C ATOM 678 C ALA A 52 1.447 9.326 15.092 1.00 53.40 C ATOM 679 O ALA A 52 1.659 10.429 15.595 1.00 51.10 O ATOM 680 CB ALA A 52 2.696 7.227 14.556 1.00 55.30 C ATOM 0 H ALA A 52 4.536 8.857 14.491 1.00 2.40 H new ATOM 0 HA ALA A 52 2.079 8.716 13.150 1.00 31.30 H new ATOM 0 HB1 ALA A 52 1.746 6.694 14.535 1.00 55.30 H new ATOM 0 HB2 ALA A 52 3.388 6.764 13.852 1.00 55.30 H new ATOM 0 HB3 ALA A 52 3.116 7.181 15.561 1.00 55.30 H new ATOM 686 N GLN A 53 0.336 8.632 15.313 1.00 60.20 N ATOM 687 CA GLN A 53 -0.723 9.138 16.179 1.00 74.40 C ATOM 688 C GLN A 53 -0.323 9.030 17.647 1.00 32.40 C ATOM 689 O GLN A 53 -0.483 9.979 18.415 1.00 54.00 O ATOM 690 CB GLN A 53 -2.022 8.369 15.934 1.00 60.00 C ATOM 691 CG GLN A 53 -2.397 8.259 14.465 1.00 35.20 C ATOM 692 CD GLN A 53 -3.895 8.316 14.241 1.00 13.40 C ATOM 693 OE1 GLN A 53 -4.407 7.398 13.429 1.00 24.20 O flip ATOM 694 NE2 GLN A 53 -4.585 9.175 14.790 1.00 24.20 N flip ATOM 0 H GLN A 53 0.145 7.717 14.904 1.00 60.20 H new ATOM 0 HA GLN A 53 -0.882 10.190 15.941 1.00 74.40 H new ATOM 0 HB2 GLN A 53 -1.925 7.367 16.352 1.00 60.00 H new ATOM 0 HB3 GLN A 53 -2.833 8.861 16.471 1.00 60.00 H new ATOM 0 HG2 GLN A 53 -1.919 9.067 13.910 1.00 35.20 H new ATOM 0 HG3 GLN A 53 -2.008 7.323 14.064 1.00 35.20 H new ATOM 0 HE21 GLN A 53 -4.150 9.861 15.407 1.00 24.20 H new ATOM 0 HE22 GLN A 53 -5.592 9.200 14.628 1.00 24.20 H new ATOM 703 N GLY A 54 0.198 7.869 18.030 1.00 74.00 N ATOM 704 CA GLY A 54 0.612 7.659 19.404 1.00 32.20 C ATOM 705 C GLY A 54 1.448 6.406 19.574 1.00 24.00 C ATOM 706 O GLY A 54 2.627 6.386 19.222 1.00 35.20 O ATOM 0 H GLY A 54 0.341 7.070 17.413 1.00 74.00 H new ATOM 0 HA2 GLY A 54 1.184 8.522 19.743 1.00 32.20 H new ATOM 0 HA3 GLY A 54 -0.271 7.592 20.040 1.00 32.20 H new ATOM 710 N ASP A 55 0.836 5.358 20.115 1.00 51.20 N ATOM 711 CA ASP A 55 1.531 4.094 20.331 1.00 41.30 C ATOM 712 C ASP A 55 0.777 2.940 19.678 1.00 42.20 C ATOM 713 O ASP A 55 1.309 2.250 18.809 1.00 72.30 O ATOM 714 CB ASP A 55 1.695 3.828 21.829 1.00 64.40 C ATOM 715 CG ASP A 55 2.945 3.028 22.140 1.00 63.30 C ATOM 716 OD1 ASP A 55 3.335 2.186 21.304 1.00 73.10 O ATOM 717 OD2 ASP A 55 3.535 3.244 23.220 1.00 75.10 O ATOM 0 H ASP A 55 -0.140 5.359 20.412 1.00 51.20 H new ATOM 0 HA ASP A 55 2.517 4.167 19.871 1.00 41.30 H new ATOM 0 HB2 ASP A 55 1.733 4.778 22.362 1.00 64.40 H new ATOM 0 HB3 ASP A 55 0.822 3.290 22.198 1.00 64.40 H new ATOM 722 N LYS A 56 -0.466 2.736 20.103 1.00 13.10 N ATOM 723 CA LYS A 56 -1.294 1.666 19.559 1.00 24.00 C ATOM 724 C LYS A 56 -1.490 1.840 18.056 1.00 14.20 C ATOM 725 O LYS A 56 -1.616 0.863 17.319 1.00 34.40 O ATOM 726 CB LYS A 56 -2.652 1.635 20.262 1.00 22.30 C ATOM 727 CG LYS A 56 -3.563 0.520 19.778 1.00 70.10 C ATOM 728 CD LYS A 56 -5.022 0.946 19.793 1.00 72.30 C ATOM 729 CE LYS A 56 -5.778 0.389 18.597 1.00 50.30 C ATOM 730 NZ LYS A 56 -7.198 0.837 18.579 1.00 2.14 N ATOM 0 H LYS A 56 -0.922 3.298 20.822 1.00 13.10 H new ATOM 0 HA LYS A 56 -0.781 0.720 19.733 1.00 24.00 H new ATOM 0 HB2 LYS A 56 -2.494 1.523 21.335 1.00 22.30 H new ATOM 0 HB3 LYS A 56 -3.152 2.592 20.111 1.00 22.30 H new ATOM 0 HG2 LYS A 56 -3.278 0.229 18.767 1.00 70.10 H new ATOM 0 HG3 LYS A 56 -3.433 -0.358 20.411 1.00 70.10 H new ATOM 0 HD2 LYS A 56 -5.493 0.603 20.714 1.00 72.30 H new ATOM 0 HD3 LYS A 56 -5.084 2.034 19.789 1.00 72.30 H new ATOM 0 HE2 LYS A 56 -5.286 0.705 17.677 1.00 50.30 H new ATOM 0 HE3 LYS A 56 -5.741 -0.700 18.620 1.00 50.30 H new ATOM 0 HZ1 LYS A 56 -7.678 0.436 17.748 1.00 2.14 H new ATOM 0 HZ2 LYS A 56 -7.675 0.513 19.445 1.00 2.14 H new ATOM 0 HZ3 LYS A 56 -7.234 1.875 18.531 1.00 2.14 H new ATOM 744 N ALA A 57 -1.515 3.092 17.610 1.00 74.20 N ATOM 745 CA ALA A 57 -1.696 3.394 16.195 1.00 64.50 C ATOM 746 C ALA A 57 -0.544 2.839 15.365 1.00 35.10 C ATOM 747 O ALA A 57 -0.758 2.236 14.313 1.00 51.20 O ATOM 748 CB ALA A 57 -1.821 4.896 15.989 1.00 50.10 C ATOM 0 H ALA A 57 -1.412 3.912 18.207 1.00 74.20 H new ATOM 0 HA ALA A 57 -2.616 2.914 15.860 1.00 64.50 H new ATOM 0 HB1 ALA A 57 -1.956 5.108 14.928 1.00 50.10 H new ATOM 0 HB2 ALA A 57 -2.681 5.269 16.546 1.00 50.10 H new ATOM 0 HB3 ALA A 57 -0.916 5.389 16.345 1.00 50.10 H new ATOM 754 N LYS A 58 0.678 3.047 15.844 1.00 13.30 N ATOM 755 CA LYS A 58 1.865 2.566 15.146 1.00 52.10 C ATOM 756 C LYS A 58 1.833 1.048 15.000 1.00 73.50 C ATOM 757 O LYS A 58 2.189 0.507 13.953 1.00 73.30 O ATOM 758 CB LYS A 58 3.130 2.992 15.893 1.00 54.30 C ATOM 759 CG LYS A 58 3.224 4.491 16.125 1.00 11.10 C ATOM 760 CD LYS A 58 4.218 4.823 17.226 1.00 2.42 C ATOM 761 CE LYS A 58 4.752 6.239 17.085 1.00 3.15 C ATOM 762 NZ LYS A 58 6.117 6.378 17.665 1.00 41.30 N ATOM 0 H LYS A 58 0.872 3.545 16.713 1.00 13.30 H new ATOM 0 HA LYS A 58 1.874 3.008 14.150 1.00 52.10 H new ATOM 0 HB2 LYS A 58 3.163 2.481 16.855 1.00 54.30 H new ATOM 0 HB3 LYS A 58 4.003 2.665 15.328 1.00 54.30 H new ATOM 0 HG2 LYS A 58 3.524 4.985 15.201 1.00 11.10 H new ATOM 0 HG3 LYS A 58 2.242 4.881 16.390 1.00 11.10 H new ATOM 0 HD2 LYS A 58 3.738 4.709 18.198 1.00 2.42 H new ATOM 0 HD3 LYS A 58 5.047 4.116 17.195 1.00 2.42 H new ATOM 0 HE2 LYS A 58 4.776 6.515 16.031 1.00 3.15 H new ATOM 0 HE3 LYS A 58 4.074 6.934 17.581 1.00 3.15 H new ATOM 0 HZ1 LYS A 58 6.445 7.358 17.549 1.00 41.30 H new ATOM 0 HZ2 LYS A 58 6.090 6.140 18.677 1.00 41.30 H new ATOM 0 HZ3 LYS A 58 6.770 5.734 17.175 1.00 41.30 H new ATOM 776 N GLN A 59 1.404 0.366 16.057 1.00 32.30 N ATOM 777 CA GLN A 59 1.324 -1.090 16.047 1.00 31.10 C ATOM 778 C GLN A 59 0.394 -1.576 14.941 1.00 63.30 C ATOM 779 O GLN A 59 0.641 -2.609 14.318 1.00 14.20 O ATOM 780 CB GLN A 59 0.838 -1.603 17.405 1.00 44.30 C ATOM 781 CG GLN A 59 1.658 -2.764 17.944 1.00 3.41 C ATOM 782 CD GLN A 59 0.973 -4.102 17.747 1.00 52.20 C ATOM 783 OE1 GLN A 59 -0.003 -4.420 18.427 1.00 13.40 O ATOM 784 NE2 GLN A 59 1.483 -4.896 16.812 1.00 3.43 N ATOM 0 H GLN A 59 1.106 0.799 16.931 1.00 32.30 H new ATOM 0 HA GLN A 59 2.322 -1.484 15.854 1.00 31.10 H new ATOM 0 HB2 GLN A 59 0.865 -0.785 18.124 1.00 44.30 H new ATOM 0 HB3 GLN A 59 -0.203 -1.914 17.316 1.00 44.30 H new ATOM 0 HG2 GLN A 59 2.628 -2.780 17.448 1.00 3.41 H new ATOM 0 HG3 GLN A 59 1.846 -2.609 19.006 1.00 3.41 H new ATOM 0 HE21 GLN A 59 2.293 -4.592 16.272 1.00 3.43 H new ATOM 0 HE22 GLN A 59 1.065 -5.809 16.635 1.00 3.43 H new ATOM 793 N SER A 60 -0.676 -0.825 14.701 1.00 24.40 N ATOM 794 CA SER A 60 -1.643 -1.179 13.669 1.00 74.40 C ATOM 795 C SER A 60 -1.021 -1.071 12.281 1.00 73.10 C ATOM 796 O SER A 60 -1.321 -1.867 11.391 1.00 51.00 O ATOM 797 CB SER A 60 -2.873 -0.275 13.762 1.00 35.10 C ATOM 798 OG SER A 60 -3.874 -0.856 14.580 1.00 12.20 O ATOM 0 H SER A 60 -0.895 0.033 15.208 1.00 24.40 H new ATOM 0 HA SER A 60 -1.948 -2.213 13.831 1.00 74.40 H new ATOM 0 HB2 SER A 60 -2.585 0.695 14.168 1.00 35.10 H new ATOM 0 HB3 SER A 60 -3.273 -0.097 12.764 1.00 35.10 H new ATOM 0 HG SER A 60 -4.649 -0.257 14.624 1.00 12.20 H new ATOM 804 N ILE A 61 -0.153 -0.081 12.103 1.00 24.10 N ATOM 805 CA ILE A 61 0.512 0.131 10.823 1.00 14.20 C ATOM 806 C ILE A 61 1.556 -0.949 10.562 1.00 1.24 C ATOM 807 O ILE A 61 1.775 -1.352 9.420 1.00 33.00 O ATOM 808 CB ILE A 61 1.192 1.513 10.764 1.00 24.00 C ATOM 809 CG1 ILE A 61 0.208 2.609 11.177 1.00 42.50 C ATOM 810 CG2 ILE A 61 1.734 1.780 9.367 1.00 14.20 C ATOM 811 CD1 ILE A 61 0.839 3.980 11.281 1.00 0.35 C ATOM 0 H ILE A 61 0.106 0.587 12.829 1.00 24.10 H new ATOM 0 HA ILE A 61 -0.259 0.082 10.054 1.00 14.20 H new ATOM 0 HB ILE A 61 2.028 1.518 11.464 1.00 24.00 H new ATOM 0 HG12 ILE A 61 -0.606 2.647 10.453 1.00 42.50 H new ATOM 0 HG13 ILE A 61 -0.233 2.347 12.139 1.00 42.50 H new ATOM 0 HG21 ILE A 61 2.211 2.760 9.343 1.00 14.20 H new ATOM 0 HG22 ILE A 61 2.465 1.014 9.108 1.00 14.20 H new ATOM 0 HG23 ILE A 61 0.915 1.757 8.648 1.00 14.20 H new ATOM 0 HD11 ILE A 61 0.083 4.707 11.578 1.00 0.35 H new ATOM 0 HD12 ILE A 61 1.634 3.959 12.026 1.00 0.35 H new ATOM 0 HD13 ILE A 61 1.255 4.263 10.314 1.00 0.35 H new ATOM 823 N ARG A 62 2.198 -1.415 11.629 1.00 52.50 N ATOM 824 CA ARG A 62 3.219 -2.450 11.515 1.00 4.21 C ATOM 825 C ARG A 62 2.635 -3.724 10.912 1.00 12.20 C ATOM 826 O ARG A 62 3.179 -4.276 9.955 1.00 53.30 O ATOM 827 CB ARG A 62 3.825 -2.751 12.886 1.00 33.50 C ATOM 828 CG ARG A 62 4.613 -1.591 13.471 1.00 61.40 C ATOM 829 CD ARG A 62 5.775 -2.079 14.321 1.00 11.30 C ATOM 830 NE ARG A 62 7.002 -2.219 13.542 1.00 44.30 N ATOM 831 CZ ARG A 62 8.218 -2.291 14.080 1.00 55.10 C ATOM 832 NH1 ARG A 62 8.373 -2.236 15.397 1.00 31.00 N ATOM 833 NH2 ARG A 62 9.282 -2.418 13.299 1.00 54.40 N ATOM 0 H ARG A 62 2.029 -1.092 12.582 1.00 52.50 H new ATOM 0 HA ARG A 62 4.003 -2.082 10.853 1.00 4.21 H new ATOM 0 HB2 ARG A 62 3.025 -3.021 13.576 1.00 33.50 H new ATOM 0 HB3 ARG A 62 4.480 -3.618 12.802 1.00 33.50 H new ATOM 0 HG2 ARG A 62 4.990 -0.962 12.664 1.00 61.40 H new ATOM 0 HG3 ARG A 62 3.953 -0.970 14.077 1.00 61.40 H new ATOM 0 HD2 ARG A 62 5.944 -1.380 15.140 1.00 11.30 H new ATOM 0 HD3 ARG A 62 5.518 -3.039 14.769 1.00 11.30 H new ATOM 0 HE ARG A 62 6.923 -2.264 12.526 1.00 44.30 H new ATOM 0 HH11 ARG A 62 7.558 -2.138 16.003 1.00 31.00 H new ATOM 0 HH12 ARG A 62 9.307 -2.292 15.803 1.00 31.00 H new ATOM 0 HH21 ARG A 62 9.169 -2.461 12.286 1.00 54.40 H new ATOM 0 HH22 ARG A 62 10.213 -2.473 13.711 1.00 54.40 H new ATOM 847 N ALA A 63 1.526 -4.186 11.479 1.00 11.40 N ATOM 848 CA ALA A 63 0.868 -5.395 10.997 1.00 40.30 C ATOM 849 C ALA A 63 0.353 -5.209 9.574 1.00 63.20 C ATOM 850 O ALA A 63 0.343 -6.149 8.779 1.00 42.40 O ATOM 851 CB ALA A 63 -0.273 -5.780 11.927 1.00 51.10 C ATOM 0 H ALA A 63 1.064 -3.742 12.273 1.00 11.40 H new ATOM 0 HA ALA A 63 1.602 -6.200 10.987 1.00 40.30 H new ATOM 0 HB1 ALA A 63 -0.756 -6.684 11.556 1.00 51.10 H new ATOM 0 HB2 ALA A 63 0.119 -5.963 12.928 1.00 51.10 H new ATOM 0 HB3 ALA A 63 -1.001 -4.969 11.965 1.00 51.10 H new ATOM 857 N LYS A 64 -0.073 -3.990 9.259 1.00 11.10 N ATOM 858 CA LYS A 64 -0.589 -3.681 7.931 1.00 40.20 C ATOM 859 C LYS A 64 0.549 -3.540 6.925 1.00 44.40 C ATOM 860 O LYS A 64 0.437 -3.981 5.781 1.00 24.30 O ATOM 861 CB LYS A 64 -1.414 -2.394 7.968 1.00 13.20 C ATOM 862 CG LYS A 64 -2.751 -2.549 8.675 1.00 64.20 C ATOM 863 CD LYS A 64 -3.622 -1.316 8.498 1.00 74.30 C ATOM 864 CE LYS A 64 -3.195 -0.195 9.431 1.00 4.41 C ATOM 865 NZ LYS A 64 -4.174 0.927 9.435 1.00 55.30 N ATOM 0 H LYS A 64 -0.071 -3.201 9.905 1.00 11.10 H new ATOM 0 HA LYS A 64 -1.229 -4.505 7.616 1.00 40.20 H new ATOM 0 HB2 LYS A 64 -0.836 -1.616 8.467 1.00 13.20 H new ATOM 0 HB3 LYS A 64 -1.589 -2.055 6.947 1.00 13.20 H new ATOM 0 HG2 LYS A 64 -3.272 -3.423 8.283 1.00 64.20 H new ATOM 0 HG3 LYS A 64 -2.583 -2.728 9.737 1.00 64.20 H new ATOM 0 HD2 LYS A 64 -3.564 -0.973 7.465 1.00 74.30 H new ATOM 0 HD3 LYS A 64 -4.663 -1.574 8.690 1.00 74.30 H new ATOM 0 HE2 LYS A 64 -3.087 -0.586 10.443 1.00 4.41 H new ATOM 0 HE3 LYS A 64 -2.217 0.178 9.127 1.00 4.41 H new ATOM 0 HZ1 LYS A 64 -3.846 1.671 10.083 1.00 55.30 H new ATOM 0 HZ2 LYS A 64 -4.259 1.317 8.475 1.00 55.30 H new ATOM 0 HZ3 LYS A 64 -5.102 0.577 9.750 1.00 55.30 H new ATOM 879 N CYS A 65 1.643 -2.923 7.359 1.00 42.10 N ATOM 880 CA CYS A 65 2.802 -2.725 6.497 1.00 33.40 C ATOM 881 C CYS A 65 3.356 -4.061 6.014 1.00 2.14 C ATOM 882 O CYS A 65 3.915 -4.154 4.921 1.00 44.10 O ATOM 883 CB CYS A 65 3.889 -1.947 7.241 1.00 14.30 C ATOM 884 SG CYS A 65 5.362 -1.606 6.249 1.00 62.40 S ATOM 0 H CYS A 65 1.751 -2.551 8.303 1.00 42.10 H new ATOM 0 HA CYS A 65 2.483 -2.150 5.628 1.00 33.40 H new ATOM 0 HB2 CYS A 65 3.471 -1.002 7.589 1.00 14.30 H new ATOM 0 HB3 CYS A 65 4.183 -2.511 8.127 1.00 14.30 H new ATOM 0 HG CYS A 65 6.256 -1.018 6.987 1.00 62.40 H new ATOM 890 N THR A 66 3.198 -5.094 6.836 1.00 53.30 N ATOM 891 CA THR A 66 3.683 -6.426 6.492 1.00 4.22 C ATOM 892 C THR A 66 2.670 -7.167 5.625 1.00 32.50 C ATOM 893 O THR A 66 3.040 -7.985 4.783 1.00 31.30 O ATOM 894 CB THR A 66 3.972 -7.230 7.760 1.00 32.50 C ATOM 895 OG1 THR A 66 4.527 -8.492 7.438 1.00 21.50 O ATOM 896 CG2 THR A 66 2.742 -7.472 8.608 1.00 31.30 C ATOM 0 H THR A 66 2.738 -5.034 7.744 1.00 53.30 H new ATOM 0 HA THR A 66 4.606 -6.313 5.924 1.00 4.22 H new ATOM 0 HB THR A 66 4.675 -6.624 8.332 1.00 32.50 H new ATOM 0 HG1 THR A 66 4.706 -8.991 8.262 1.00 21.50 H new ATOM 0 HG21 THR A 66 3.017 -8.048 9.492 1.00 31.30 H new ATOM 0 HG22 THR A 66 2.318 -6.516 8.915 1.00 31.30 H new ATOM 0 HG23 THR A 66 2.004 -8.027 8.029 1.00 31.30 H new ATOM 904 N GLU A 67 1.391 -6.874 5.837 1.00 31.40 N ATOM 905 CA GLU A 67 0.325 -7.513 5.075 1.00 62.40 C ATOM 906 C GLU A 67 0.337 -7.044 3.624 1.00 72.40 C ATOM 907 O GLU A 67 0.262 -7.853 2.699 1.00 72.10 O ATOM 908 CB GLU A 67 -1.035 -7.211 5.709 1.00 12.10 C ATOM 909 CG GLU A 67 -2.201 -7.871 4.991 1.00 75.40 C ATOM 910 CD GLU A 67 -2.147 -9.384 5.061 1.00 44.10 C ATOM 911 OE1 GLU A 67 -1.435 -9.992 4.235 1.00 53.10 O ATOM 912 OE2 GLU A 67 -2.818 -9.962 5.943 1.00 24.30 O ATOM 0 H GLU A 67 1.068 -6.199 6.530 1.00 31.40 H new ATOM 0 HA GLU A 67 0.496 -8.589 5.092 1.00 62.40 H new ATOM 0 HB2 GLU A 67 -1.024 -7.542 6.747 1.00 12.10 H new ATOM 0 HB3 GLU A 67 -1.190 -6.132 5.720 1.00 12.10 H new ATOM 0 HG2 GLU A 67 -3.137 -7.524 5.430 1.00 75.40 H new ATOM 0 HG3 GLU A 67 -2.203 -7.559 3.947 1.00 75.40 H new ATOM 919 N TYR A 68 0.430 -5.732 3.431 1.00 72.10 N ATOM 920 CA TYR A 68 0.452 -5.156 2.092 1.00 23.30 C ATOM 921 C TYR A 68 1.779 -5.442 1.397 1.00 74.30 C ATOM 922 O TYR A 68 1.818 -5.705 0.195 1.00 31.20 O ATOM 923 CB TYR A 68 0.213 -3.647 2.160 1.00 21.10 C ATOM 924 CG TYR A 68 -1.032 -3.264 2.928 1.00 32.20 C ATOM 925 CD1 TYR A 68 -2.220 -3.964 2.756 1.00 72.10 C ATOM 926 CD2 TYR A 68 -1.020 -2.202 3.823 1.00 30.10 C ATOM 927 CE1 TYR A 68 -3.360 -3.617 3.456 1.00 12.50 C ATOM 928 CE2 TYR A 68 -2.156 -1.849 4.527 1.00 11.00 C ATOM 929 CZ TYR A 68 -3.323 -2.559 4.340 1.00 0.32 C ATOM 930 OH TYR A 68 -4.456 -2.211 5.038 1.00 41.10 O ATOM 0 H TYR A 68 0.491 -5.048 4.185 1.00 72.10 H new ATOM 0 HA TYR A 68 -0.347 -5.618 1.512 1.00 23.30 H new ATOM 0 HB2 TYR A 68 1.077 -3.172 2.625 1.00 21.10 H new ATOM 0 HB3 TYR A 68 0.140 -3.253 1.146 1.00 21.10 H new ATOM 0 HD1 TYR A 68 -2.253 -4.793 2.064 1.00 72.10 H new ATOM 0 HD2 TYR A 68 -0.108 -1.643 3.971 1.00 30.10 H new ATOM 0 HE1 TYR A 68 -4.275 -4.172 3.311 1.00 12.50 H new ATOM 0 HE2 TYR A 68 -2.130 -1.021 5.220 1.00 11.00 H new ATOM 0 HH TYR A 68 -4.340 -2.437 5.984 1.00 41.10 H new ATOM 940 N LEU A 69 2.865 -5.388 2.162 1.00 73.50 N ATOM 941 CA LEU A 69 4.195 -5.642 1.620 1.00 51.30 C ATOM 942 C LEU A 69 4.303 -7.067 1.087 1.00 15.20 C ATOM 943 O LEU A 69 4.767 -7.288 -0.032 1.00 52.40 O ATOM 944 CB LEU A 69 5.259 -5.404 2.692 1.00 71.30 C ATOM 945 CG LEU A 69 5.714 -3.952 2.843 1.00 30.10 C ATOM 946 CD1 LEU A 69 6.689 -3.815 4.002 1.00 65.30 C ATOM 947 CD2 LEU A 69 6.347 -3.456 1.551 1.00 41.00 C ATOM 0 H LEU A 69 2.850 -5.171 3.158 1.00 73.50 H new ATOM 0 HA LEU A 69 4.361 -4.951 0.793 1.00 51.30 H new ATOM 0 HB2 LEU A 69 4.870 -5.748 3.650 1.00 71.30 H new ATOM 0 HB3 LEU A 69 6.129 -6.019 2.461 1.00 71.30 H new ATOM 0 HG LEU A 69 4.839 -3.338 3.057 1.00 30.10 H new ATOM 0 HD11 LEU A 69 7.001 -2.775 4.094 1.00 65.30 H new ATOM 0 HD12 LEU A 69 6.203 -4.131 4.925 1.00 65.30 H new ATOM 0 HD13 LEU A 69 7.562 -4.441 3.819 1.00 65.30 H new ATOM 0 HD21 LEU A 69 6.665 -2.421 1.676 1.00 41.00 H new ATOM 0 HD22 LEU A 69 7.211 -4.075 1.308 1.00 41.00 H new ATOM 0 HD23 LEU A 69 5.619 -3.517 0.742 1.00 41.00 H new ATOM 959 N ASP A 70 3.871 -8.030 1.895 1.00 55.50 N ATOM 960 CA ASP A 70 3.920 -9.434 1.505 1.00 62.30 C ATOM 961 C ASP A 70 3.073 -9.683 0.261 1.00 15.40 C ATOM 962 O ASP A 70 3.455 -10.450 -0.618 1.00 2.43 O ATOM 963 CB ASP A 70 3.434 -10.320 2.653 1.00 23.20 C ATOM 964 CG ASP A 70 4.040 -11.710 2.607 1.00 12.40 C ATOM 965 OD1 ASP A 70 4.036 -12.320 1.519 1.00 71.50 O ATOM 966 OD2 ASP A 70 4.520 -12.180 3.659 1.00 40.00 O ATOM 0 H ASP A 70 3.483 -7.863 2.824 1.00 55.50 H new ATOM 0 HA ASP A 70 4.955 -9.686 1.274 1.00 62.30 H new ATOM 0 HB2 ASP A 70 3.685 -9.849 3.603 1.00 23.20 H new ATOM 0 HB3 ASP A 70 2.348 -10.399 2.613 1.00 23.20 H new ATOM 971 N ARG A 71 1.921 -9.023 0.194 1.00 24.50 N ATOM 972 CA ARG A 71 1.019 -9.173 -0.942 1.00 53.40 C ATOM 973 C ARG A 71 1.565 -8.450 -2.169 1.00 42.10 C ATOM 974 O ARG A 71 1.626 -9.016 -3.260 1.00 23.00 O ATOM 975 CB ARG A 71 -0.369 -8.634 -0.593 1.00 45.40 C ATOM 976 CG ARG A 71 -1.484 -9.234 -1.434 1.00 72.20 C ATOM 977 CD ARG A 71 -2.787 -9.315 -0.655 1.00 31.10 C ATOM 978 NE ARG A 71 -3.926 -9.605 -1.523 1.00 24.10 N ATOM 979 CZ ARG A 71 -5.096 -10.060 -1.082 1.00 23.10 C ATOM 980 NH1 ARG A 71 -5.284 -10.280 0.213 1.00 10.20 N ATOM 981 NH2 ARG A 71 -6.079 -10.300 -1.939 1.00 5.10 N ATOM 0 H ARG A 71 1.590 -8.379 0.913 1.00 24.50 H new ATOM 0 HA ARG A 71 0.940 -10.235 -1.174 1.00 53.40 H new ATOM 0 HB2 ARG A 71 -0.572 -8.832 0.459 1.00 45.40 H new ATOM 0 HB3 ARG A 71 -0.372 -7.551 -0.720 1.00 45.40 H new ATOM 0 HG2 ARG A 71 -1.631 -8.630 -2.329 1.00 72.20 H new ATOM 0 HG3 ARG A 71 -1.195 -10.231 -1.766 1.00 72.20 H new ATOM 0 HD2 ARG A 71 -2.706 -10.089 0.108 1.00 31.10 H new ATOM 0 HD3 ARG A 71 -2.958 -8.372 -0.135 1.00 31.10 H new ATOM 0 HE ARG A 71 -3.818 -9.450 -2.525 1.00 24.10 H new ATOM 0 HH11 ARG A 71 -4.530 -10.100 0.876 1.00 10.20 H new ATOM 0 HH12 ARG A 71 -6.183 -10.629 0.546 1.00 10.20 H new ATOM 0 HH21 ARG A 71 -5.938 -10.136 -2.936 1.00 5.10 H new ATOM 0 HH22 ARG A 71 -6.976 -10.649 -1.601 1.00 5.10 H new ATOM 995 N ALA A 72 1.959 -7.194 -1.983 1.00 62.50 N ATOM 996 CA ALA A 72 2.500 -6.393 -3.074 1.00 14.40 C ATOM 997 C ALA A 72 3.824 -6.964 -3.571 1.00 22.40 C ATOM 998 O ALA A 72 4.076 -7.016 -4.775 1.00 50.40 O ATOM 999 CB ALA A 72 2.679 -4.949 -2.630 1.00 23.20 C ATOM 0 H ALA A 72 1.913 -6.709 -1.087 1.00 62.50 H new ATOM 0 HA ALA A 72 1.789 -6.422 -3.900 1.00 14.40 H new ATOM 0 HB1 ALA A 72 3.084 -4.362 -3.455 1.00 23.20 H new ATOM 0 HB2 ALA A 72 1.715 -4.538 -2.331 1.00 23.20 H new ATOM 0 HB3 ALA A 72 3.367 -4.911 -1.785 1.00 23.20 H new ATOM 1005 N GLU A 73 4.666 -7.390 -2.636 1.00 62.00 N ATOM 1006 CA GLU A 73 5.965 -7.957 -2.979 1.00 14.40 C ATOM 1007 C GLU A 73 5.804 -9.199 -3.851 1.00 13.30 C ATOM 1008 O GLU A 73 6.572 -9.416 -4.788 1.00 34.40 O ATOM 1009 CB GLU A 73 6.743 -8.309 -1.710 1.00 71.30 C ATOM 1010 CG GLU A 73 7.329 -7.099 -1.001 1.00 23.30 C ATOM 1011 CD GLU A 73 8.766 -6.829 -1.401 1.00 22.30 C ATOM 1012 OE1 GLU A 73 9.621 -7.711 -1.177 1.00 31.20 O ATOM 1013 OE2 GLU A 73 9.037 -5.734 -1.939 1.00 53.30 O ATOM 0 H GLU A 73 4.472 -7.354 -1.635 1.00 62.00 H new ATOM 0 HA GLU A 73 6.522 -7.209 -3.543 1.00 14.40 H new ATOM 0 HB2 GLU A 73 6.082 -8.837 -1.023 1.00 71.30 H new ATOM 0 HB3 GLU A 73 7.550 -8.995 -1.967 1.00 71.30 H new ATOM 0 HG2 GLU A 73 6.722 -6.222 -1.225 1.00 23.30 H new ATOM 0 HG3 GLU A 73 7.279 -7.254 0.077 1.00 23.30 H new ATOM 1020 N LYS A 74 4.800 -10.010 -3.535 1.00 13.20 N ATOM 1021 CA LYS A 74 4.538 -11.230 -4.290 1.00 34.10 C ATOM 1022 C LYS A 74 3.938 -10.900 -5.655 1.00 42.20 C ATOM 1023 O LYS A 74 4.307 -11.510 -6.664 1.00 53.30 O ATOM 1024 CB LYS A 74 3.593 -12.140 -3.508 1.00 61.30 C ATOM 1025 CG LYS A 74 3.800 -13.620 -3.796 1.00 13.20 C ATOM 1026 CD LYS A 74 3.540 -14.470 -2.562 1.00 60.30 C ATOM 1027 CE LYS A 74 4.834 -14.830 -1.850 1.00 33.10 C ATOM 1028 NZ LYS A 74 5.171 -13.850 -0.781 1.00 32.40 N ATOM 0 H LYS A 74 4.155 -9.845 -2.762 1.00 13.20 H new ATOM 0 HA LYS A 74 5.484 -11.749 -4.444 1.00 34.10 H new ATOM 0 HB2 LYS A 74 3.730 -11.963 -2.441 1.00 61.30 H new ATOM 0 HB3 LYS A 74 2.564 -11.872 -3.746 1.00 61.30 H new ATOM 0 HG2 LYS A 74 3.134 -13.932 -4.601 1.00 13.20 H new ATOM 0 HG3 LYS A 74 4.820 -13.785 -4.144 1.00 13.20 H new ATOM 0 HD2 LYS A 74 2.886 -13.930 -1.878 1.00 60.30 H new ATOM 0 HD3 LYS A 74 3.017 -15.382 -2.851 1.00 60.30 H new ATOM 0 HE2 LYS A 74 4.744 -15.825 -1.415 1.00 33.10 H new ATOM 0 HE3 LYS A 74 5.648 -14.871 -2.574 1.00 33.10 H new ATOM 0 HZ1 LYS A 74 5.913 -14.245 -0.169 1.00 32.40 H new ATOM 0 HZ2 LYS A 74 5.512 -12.968 -1.214 1.00 32.40 H new ATOM 0 HZ3 LYS A 74 4.323 -13.651 -0.212 1.00 32.40 H new ATOM 1042 N LEU A 75 3.013 -9.953 -5.679 1.00 74.50 N ATOM 1043 CA LEU A 75 2.363 -9.551 -6.921 1.00 4.44 C ATOM 1044 C LEU A 75 3.390 -9.071 -7.942 1.00 63.00 C ATOM 1045 O LEU A 75 3.415 -9.538 -9.080 1.00 43.00 O ATOM 1046 CB LEU A 75 1.337 -8.448 -6.651 1.00 34.20 C ATOM 1047 CG LEU A 75 -0.102 -8.933 -6.468 1.00 21.30 C ATOM 1048 CD1 LEU A 75 -0.198 -9.890 -5.290 1.00 15.50 C ATOM 1049 CD2 LEU A 75 -1.041 -7.752 -6.275 1.00 64.10 C ATOM 0 H LEU A 75 2.694 -9.447 -4.853 1.00 74.50 H new ATOM 0 HA LEU A 75 1.850 -10.420 -7.332 1.00 4.44 H new ATOM 0 HB2 LEU A 75 1.638 -7.904 -5.755 1.00 34.20 H new ATOM 0 HB3 LEU A 75 1.363 -7.739 -7.478 1.00 34.20 H new ATOM 0 HG LEU A 75 -0.402 -9.468 -7.369 1.00 21.30 H new ATOM 0 HD11 LEU A 75 -1.229 -10.224 -5.176 1.00 15.50 H new ATOM 0 HD12 LEU A 75 0.445 -10.752 -5.468 1.00 15.50 H new ATOM 0 HD13 LEU A 75 0.121 -9.381 -4.381 1.00 15.50 H new ATOM 0 HD21 LEU A 75 -2.061 -8.115 -6.146 1.00 64.10 H new ATOM 0 HD22 LEU A 75 -0.742 -7.190 -5.390 1.00 64.10 H new ATOM 0 HD23 LEU A 75 -0.995 -7.103 -7.150 1.00 64.10 H new ATOM 1061 N LYS A 76 4.238 -8.137 -7.524 1.00 63.10 N ATOM 1062 CA LYS A 76 5.270 -7.597 -8.400 1.00 11.40 C ATOM 1063 C LYS A 76 6.273 -8.679 -8.789 1.00 4.04 C ATOM 1064 O LYS A 76 6.886 -8.617 -9.854 1.00 72.10 O ATOM 1065 CB LYS A 76 5.994 -6.436 -7.716 1.00 64.10 C ATOM 1066 CG LYS A 76 6.746 -6.844 -6.459 1.00 25.10 C ATOM 1067 CD LYS A 76 7.345 -5.639 -5.753 1.00 53.40 C ATOM 1068 CE LYS A 76 8.743 -5.331 -6.266 1.00 60.50 C ATOM 1069 NZ LYS A 76 9.556 -4.598 -5.257 1.00 21.00 N ATOM 0 H LYS A 76 4.231 -7.739 -6.585 1.00 63.10 H new ATOM 0 HA LYS A 76 4.787 -7.231 -9.306 1.00 11.40 H new ATOM 0 HB2 LYS A 76 6.696 -5.991 -8.421 1.00 64.10 H new ATOM 0 HB3 LYS A 76 5.267 -5.665 -7.460 1.00 64.10 H new ATOM 0 HG2 LYS A 76 6.069 -7.365 -5.782 1.00 25.10 H new ATOM 0 HG3 LYS A 76 7.538 -7.546 -6.719 1.00 25.10 H new ATOM 0 HD2 LYS A 76 6.702 -4.772 -5.903 1.00 53.40 H new ATOM 0 HD3 LYS A 76 7.383 -5.826 -4.680 1.00 53.40 H new ATOM 0 HE2 LYS A 76 9.246 -6.261 -6.531 1.00 60.50 H new ATOM 0 HE3 LYS A 76 8.673 -4.736 -7.177 1.00 60.50 H new ATOM 0 HZ1 LYS A 76 10.502 -4.407 -5.645 1.00 21.00 H new ATOM 0 HZ2 LYS A 76 9.090 -3.698 -5.023 1.00 21.00 H new ATOM 0 HZ3 LYS A 76 9.645 -5.176 -4.397 1.00 21.00 H new ATOM 1083 N GLU A 77 6.435 -9.670 -7.916 1.00 44.40 N ATOM 1084 CA GLU A 77 7.363 -10.760 -8.164 1.00 25.10 C ATOM 1085 C GLU A 77 7.048 -11.460 -9.484 1.00 21.30 C ATOM 1086 O GLU A 77 7.904 -11.560 -10.360 1.00 50.10 O ATOM 1087 CB GLU A 77 7.311 -11.770 -7.016 1.00 12.40 C ATOM 1088 CG GLU A 77 8.631 -12.480 -6.770 1.00 2.12 C ATOM 1089 CD GLU A 77 8.697 -13.840 -7.446 1.00 51.10 C ATOM 1090 OE1 GLU A 77 8.183 -13.960 -8.577 1.00 33.20 O ATOM 1091 OE2 GLU A 77 9.263 -14.770 -6.844 1.00 52.00 O ATOM 0 H GLU A 77 5.933 -9.737 -7.031 1.00 44.40 H new ATOM 0 HA GLU A 77 8.367 -10.339 -8.229 1.00 25.10 H new ATOM 0 HB2 GLU A 77 7.009 -11.255 -6.104 1.00 12.40 H new ATOM 0 HB3 GLU A 77 6.543 -12.513 -7.231 1.00 12.40 H new ATOM 0 HG2 GLU A 77 9.448 -11.857 -7.134 1.00 2.12 H new ATOM 0 HG3 GLU A 77 8.778 -12.604 -5.697 1.00 2.12 H new ATOM 1098 N TYR A 78 5.817 -11.950 -9.617 1.00 75.40 N ATOM 1099 CA TYR A 78 5.398 -12.640 -10.830 1.00 71.20 C ATOM 1100 C TYR A 78 5.203 -11.650 -11.980 1.00 34.10 C ATOM 1101 O TYR A 78 5.494 -11.960 -13.130 1.00 33.20 O ATOM 1102 CB TYR A 78 4.109 -13.430 -10.570 1.00 53.10 C ATOM 1103 CG TYR A 78 2.844 -12.600 -10.610 1.00 70.50 C ATOM 1104 CD1 TYR A 78 2.295 -12.180 -11.810 1.00 43.20 C ATOM 1105 CD2 TYR A 78 2.197 -12.230 -9.436 1.00 70.30 C ATOM 1106 CE1 TYR A 78 1.139 -11.420 -11.850 1.00 51.40 C ATOM 1107 CE2 TYR A 78 1.040 -11.480 -9.462 1.00 0.12 C ATOM 1108 CZ TYR A 78 0.516 -11.070 -10.670 1.00 51.00 C ATOM 1109 OH TYR A 78 -0.635 -10.320 -10.700 1.00 0.55 O ATOM 0 H TYR A 78 5.095 -11.881 -8.900 1.00 75.40 H new ATOM 0 HA TYR A 78 6.183 -13.339 -11.119 1.00 71.20 H new ATOM 0 HB2 TYR A 78 4.030 -14.225 -11.311 1.00 53.10 H new ATOM 0 HB3 TYR A 78 4.183 -13.910 -9.594 1.00 53.10 H new ATOM 0 HD1 TYR A 78 2.780 -12.452 -12.736 1.00 43.20 H new ATOM 0 HD2 TYR A 78 2.609 -12.536 -8.486 1.00 70.30 H new ATOM 0 HE1 TYR A 78 0.728 -11.104 -12.797 1.00 51.40 H new ATOM 0 HE2 TYR A 78 0.546 -11.215 -8.539 1.00 0.12 H new ATOM 0 HH TYR A 78 -1.318 -10.746 -10.140 1.00 0.55 H new ATOM 1119 N LEU A 79 4.709 -10.460 -11.650 1.00 52.10 N ATOM 1120 CA LEU A 79 4.475 -9.432 -12.650 1.00 73.40 C ATOM 1121 C LEU A 79 5.785 -8.993 -13.300 1.00 12.40 C ATOM 1122 O LEU A 79 5.814 -8.610 -14.470 1.00 41.20 O ATOM 1123 CB LEU A 79 3.775 -8.227 -12.020 1.00 3.23 C ATOM 1124 CG LEU A 79 2.295 -8.435 -11.700 1.00 65.10 C ATOM 1125 CD1 LEU A 79 1.741 -7.243 -10.930 1.00 63.50 C ATOM 1126 CD2 LEU A 79 1.499 -8.671 -12.970 1.00 55.30 C ATOM 0 H LEU A 79 4.464 -10.187 -10.698 1.00 52.10 H new ATOM 0 HA LEU A 79 3.832 -9.854 -13.423 1.00 73.40 H new ATOM 0 HB2 LEU A 79 4.297 -7.963 -11.100 1.00 3.23 H new ATOM 0 HB3 LEU A 79 3.869 -7.377 -12.696 1.00 3.23 H new ATOM 0 HG LEU A 79 2.202 -9.321 -11.072 1.00 65.10 H new ATOM 0 HD11 LEU A 79 0.686 -7.409 -10.711 1.00 63.50 H new ATOM 0 HD12 LEU A 79 2.291 -7.126 -9.996 1.00 63.50 H new ATOM 0 HD13 LEU A 79 1.849 -6.340 -11.531 1.00 63.50 H new ATOM 0 HD21 LEU A 79 0.448 -8.817 -12.719 1.00 55.30 H new ATOM 0 HD22 LEU A 79 1.599 -7.807 -13.628 1.00 55.30 H new ATOM 0 HD23 LEU A 79 1.877 -9.559 -13.477 1.00 55.30 H new ATOM 1138 N LYS A 80 6.867 -9.051 -12.530 1.00 4.14 N ATOM 1139 CA LYS A 80 8.180 -8.659 -13.030 1.00 52.10 C ATOM 1140 C LYS A 80 8.799 -9.773 -13.870 1.00 62.30 C ATOM 1141 O LYS A 80 9.379 -9.520 -14.920 1.00 52.20 O ATOM 1142 CB LYS A 80 9.106 -8.307 -11.860 1.00 34.00 C ATOM 1143 CG LYS A 80 9.097 -6.830 -11.500 1.00 14.10 C ATOM 1144 CD LYS A 80 10.305 -6.455 -10.660 1.00 24.30 C ATOM 1145 CE LYS A 80 11.403 -5.831 -11.500 1.00 64.10 C ATOM 1146 NZ LYS A 80 12.659 -5.637 -10.730 1.00 10.30 N ATOM 0 H LYS A 80 6.861 -9.365 -11.560 1.00 4.14 H new ATOM 0 HA LYS A 80 8.055 -7.781 -13.664 1.00 52.10 H new ATOM 0 HB2 LYS A 80 8.810 -8.887 -10.986 1.00 34.00 H new ATOM 0 HB3 LYS A 80 10.124 -8.605 -12.111 1.00 34.00 H new ATOM 0 HG2 LYS A 80 9.087 -6.232 -12.411 1.00 14.10 H new ATOM 0 HG3 LYS A 80 8.184 -6.593 -10.953 1.00 14.10 H new ATOM 0 HD2 LYS A 80 10.003 -5.756 -9.880 1.00 24.30 H new ATOM 0 HD3 LYS A 80 10.690 -7.344 -10.160 1.00 24.30 H new ATOM 0 HE2 LYS A 80 11.603 -6.466 -12.363 1.00 64.10 H new ATOM 0 HE3 LYS A 80 11.062 -4.869 -11.884 1.00 64.10 H new ATOM 0 HZ1 LYS A 80 13.380 -5.208 -11.345 1.00 10.30 H new ATOM 0 HZ2 LYS A 80 12.477 -5.010 -9.921 1.00 10.30 H new ATOM 0 HZ3 LYS A 80 13.000 -6.557 -10.385 1.00 10.30 H new ATOM 1160 N ASN A 81 8.670 -11.000 -13.390 1.00 13.20 N ATOM 1161 CA ASN A 81 9.216 -12.160 -14.090 1.00 31.20 C ATOM 1162 C ASN A 81 8.602 -12.290 -15.480 1.00 23.30 C ATOM 1163 O ASN A 81 9.295 -12.590 -16.450 1.00 22.50 O ATOM 1164 CB ASN A 81 8.967 -13.430 -13.290 1.00 62.20 C ATOM 1165 CG ASN A 81 10.119 -14.420 -13.400 1.00 64.00 C ATOM 1166 OD1 ASN A 81 10.289 -15.090 -14.410 1.00 72.20 O ATOM 1167 ND2 ASN A 81 10.918 -14.500 -12.340 1.00 30.00 N ATOM 0 H ASN A 81 8.192 -11.222 -12.517 1.00 13.20 H new ATOM 0 HA ASN A 81 10.291 -12.016 -14.197 1.00 31.20 H new ATOM 0 HB2 ASN A 81 8.812 -13.172 -12.242 1.00 62.20 H new ATOM 0 HB3 ASN A 81 8.050 -13.903 -13.641 1.00 62.20 H new ATOM 0 HD21 ASN A 81 11.712 -15.140 -12.347 1.00 30.00 H new ATOM 0 HD22 ASN A 81 10.737 -13.921 -11.520 1.00 30.00 H new TER 1174 ASN A 81