USER MOD reduce.3.24.130724 H: found=0, std=0, add=994, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 994 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 93 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 94 ASN : amide:sc= -0.619 K(o=-0.62,f=-4.1!) USER MOD Set 2.1: A 4 LYS NZ :NH3+ 163:sc= 0.293 (180deg=-0.0423) USER MOD Set 2.2: A 65 SER OG : rot 110:sc= 0.412 USER MOD Set 3.1: A 45 MET CE :methyl 170:sc= -1.94 (180deg=-2.5!) USER MOD Set 3.2: A 90 TYR OH : rot -87:sc= 1.22 USER MOD Set 4.1: A 13 THR OG1 : rot 73:sc= -0.011 USER MOD Set 4.2: A 18 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 9 GLN : amide:sc= 0.934 K(o=1.2,f=-4!) USER MOD Set 5.2: A 22 THR OG1 : rot 180:sc= 0.221 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 160:sc= 1.07 (180deg=0.688) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00862 USER MOD Single : A 5 LYS NZ :NH3+ 141:sc= 0.876 (180deg=0.309) USER MOD Single : A 11 LYS NZ :NH3+ -159:sc= 0.619 (180deg=0.392) USER MOD Single : A 15 ASN : amide:sc= -0.422 X(o=-0.42,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00985) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.0152 USER MOD Single : A 23 TYR OH : rot 180:sc= 0.541 USER MOD Single : A 24 GLN : amide:sc= -0.735 X(o=-0.74,f=-0.89) USER MOD Single : A 26 TYR OH : rot 180:sc=-0.00488 USER MOD Single : A 34 LYS NZ :NH3+ 165:sc= 0.567 (180deg=0.444) USER MOD Single : A 36 LYS NZ :NH3+ 155:sc= 0.439 (180deg=-0.987!) USER MOD Single : A 38 LYS NZ :NH3+ -168:sc= 0.819 (180deg=0.728) USER MOD Single : A 39 LYS NZ :NH3+ -161:sc= 0.88 (180deg=0.69) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 173:sc= -0.405 (180deg=-0.489) USER MOD Single : A 64 HIS :FLIP no HE2:sc= -0.414 F(o=-3.1!,f=-0.41) USER MOD Single : A 71 LYS NZ :NH3+ -170:sc= -0.021 (180deg=-0.169) USER MOD Single : A 72 LYS NZ :NH3+ -172:sc=-0.00356 (180deg=-0.0671) USER MOD Single : A 75 LYS NZ :NH3+ 172:sc=-0.00237 (180deg=-0.0865) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 1.09 (180deg=1.09) USER MOD Single : A 82 ASN : amide:sc= -0.0107 K(o=-0.011,f=-0.85) USER MOD Single : A 83 LYS NZ :NH3+ 173:sc=-0.00288 (180deg=-0.0548) USER MOD Single : A 91 ASN : amide:sc= -1.54 X(o=-1.5,f=-1.4) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 73:sc= 0.728 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0.342 K(o=0.34,f=-4.2!) USER MOD Single : A 115 HIS : no HE2:sc= -0.0582 K(o=-0.058,f=-1.6) USER MOD Single : A 116 HIS : no HD1:sc= -0.835 K(o=-0.84,f=-2.7!) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 HIS : no HE2:sc= -0.0466 X(o=-0.047,f=-0.18) USER MOD Single : A 119 HIS : no HD1:sc= -0.0269 X(o=-0.027,f=-0.42) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.222 -1.620 -4.763 1.00 14.22 N ATOM 2 CA MET A 1 19.279 -1.856 -3.641 1.00 51.24 C ATOM 3 C MET A 1 19.497 -3.252 -3.052 1.00 42.31 C ATOM 4 O MET A 1 19.752 -4.217 -3.786 1.00 62.02 O ATOM 5 CB MET A 1 17.801 -1.688 -4.095 1.00 5.32 C ATOM 6 CG MET A 1 17.421 -0.252 -4.474 1.00 62.20 C ATOM 7 SD MET A 1 18.436 0.411 -5.816 1.00 34.12 S ATOM 8 CE MET A 1 17.789 2.074 -5.964 1.00 43.31 C ATOM 0 H1 MET A 1 19.863 -0.849 -5.362 1.00 14.22 H new ATOM 0 H2 MET A 1 21.154 -1.358 -4.384 1.00 14.22 H new ATOM 0 H3 MET A 1 20.310 -2.487 -5.331 1.00 14.22 H new ATOM 0 HA MET A 1 19.479 -1.109 -2.873 1.00 51.24 H new ATOM 0 HB2 MET A 1 17.619 -2.338 -4.951 1.00 5.32 H new ATOM 0 HB3 MET A 1 17.145 -2.026 -3.293 1.00 5.32 H new ATOM 0 HG2 MET A 1 16.372 -0.225 -4.770 1.00 62.20 H new ATOM 0 HG3 MET A 1 17.522 0.389 -3.598 1.00 62.20 H new ATOM 0 HE1 MET A 1 18.321 2.602 -6.755 1.00 43.31 H new ATOM 0 HE2 MET A 1 16.727 2.031 -6.207 1.00 43.31 H new ATOM 0 HE3 MET A 1 17.924 2.602 -5.020 1.00 43.31 H new ATOM 20 N SER A 2 19.400 -3.333 -1.721 1.00 24.30 N ATOM 21 CA SER A 2 19.478 -4.594 -0.981 1.00 24.23 C ATOM 22 C SER A 2 18.135 -5.340 -1.079 1.00 34.33 C ATOM 23 O SER A 2 17.102 -4.742 -1.432 1.00 10.12 O ATOM 24 CB SER A 2 19.829 -4.298 0.497 1.00 21.33 C ATOM 25 OG SER A 2 19.917 -5.486 1.269 1.00 2.15 O ATOM 0 H SER A 2 19.264 -2.518 -1.123 1.00 24.30 H new ATOM 0 HA SER A 2 20.256 -5.226 -1.410 1.00 24.23 H new ATOM 0 HB2 SER A 2 20.778 -3.763 0.545 1.00 21.33 H new ATOM 0 HB3 SER A 2 19.071 -3.642 0.926 1.00 21.33 H new ATOM 0 HG SER A 2 20.142 -5.258 2.195 1.00 2.15 H new ATOM 31 N GLY A 3 18.162 -6.645 -0.761 1.00 63.20 N ATOM 32 CA GLY A 3 16.946 -7.440 -0.630 1.00 54.31 C ATOM 33 C GLY A 3 16.150 -6.998 0.587 1.00 72.22 C ATOM 34 O GLY A 3 16.368 -7.503 1.691 1.00 32.01 O ATOM 0 H GLY A 3 19.022 -7.167 -0.591 1.00 63.20 H new ATOM 0 HA2 GLY A 3 16.337 -7.335 -1.528 1.00 54.31 H new ATOM 0 HA3 GLY A 3 17.202 -8.496 -0.541 1.00 54.31 H new ATOM 38 N LYS A 4 15.260 -6.022 0.385 1.00 13.53 N ATOM 39 CA LYS A 4 14.536 -5.363 1.476 1.00 72.11 C ATOM 40 C LYS A 4 13.328 -6.203 1.921 1.00 4.43 C ATOM 41 O LYS A 4 12.298 -6.236 1.237 1.00 71.43 O ATOM 42 CB LYS A 4 14.105 -3.927 1.035 1.00 54.33 C ATOM 43 CG LYS A 4 13.510 -3.035 2.159 1.00 72.24 C ATOM 44 CD LYS A 4 14.477 -2.842 3.358 1.00 62.11 C ATOM 45 CE LYS A 4 15.823 -2.189 2.970 1.00 50.20 C ATOM 46 NZ LYS A 4 16.782 -2.192 4.110 1.00 52.21 N ATOM 0 H LYS A 4 15.021 -5.666 -0.541 1.00 13.53 H new ATOM 0 HA LYS A 4 15.199 -5.273 2.337 1.00 72.11 H new ATOM 0 HB2 LYS A 4 14.972 -3.419 0.613 1.00 54.33 H new ATOM 0 HB3 LYS A 4 13.368 -4.016 0.237 1.00 54.33 H new ATOM 0 HG2 LYS A 4 13.255 -2.060 1.744 1.00 72.24 H new ATOM 0 HG3 LYS A 4 12.582 -3.481 2.516 1.00 72.24 H new ATOM 0 HD2 LYS A 4 13.988 -2.226 4.112 1.00 62.11 H new ATOM 0 HD3 LYS A 4 14.672 -3.812 3.816 1.00 62.11 H new ATOM 0 HE2 LYS A 4 16.258 -2.724 2.126 1.00 50.20 H new ATOM 0 HE3 LYS A 4 15.650 -1.164 2.642 1.00 50.20 H new ATOM 0 HZ1 LYS A 4 17.744 -2.021 3.755 1.00 52.21 H new ATOM 0 HZ2 LYS A 4 16.523 -1.443 4.783 1.00 52.21 H new ATOM 0 HZ3 LYS A 4 16.749 -3.114 4.589 1.00 52.21 H new ATOM 60 N LYS A 5 13.502 -6.930 3.039 1.00 65.32 N ATOM 61 CA LYS A 5 12.411 -7.610 3.740 1.00 50.32 C ATOM 62 C LYS A 5 11.769 -6.571 4.678 1.00 62.21 C ATOM 63 O LYS A 5 12.259 -6.323 5.785 1.00 51.33 O ATOM 64 CB LYS A 5 12.965 -8.859 4.509 1.00 61.41 C ATOM 65 CG LYS A 5 11.911 -9.887 5.032 1.00 74.13 C ATOM 66 CD LYS A 5 11.170 -9.440 6.317 1.00 31.25 C ATOM 67 CE LYS A 5 12.119 -9.242 7.517 1.00 61.42 C ATOM 68 NZ LYS A 5 11.447 -8.575 8.659 1.00 70.44 N ATOM 0 H LYS A 5 14.412 -7.060 3.480 1.00 65.32 H new ATOM 0 HA LYS A 5 11.656 -7.990 3.052 1.00 50.32 H new ATOM 0 HB2 LYS A 5 13.655 -9.385 3.850 1.00 61.41 H new ATOM 0 HB3 LYS A 5 13.545 -8.504 5.361 1.00 61.41 H new ATOM 0 HG2 LYS A 5 11.177 -10.068 4.247 1.00 74.13 H new ATOM 0 HG3 LYS A 5 12.411 -10.836 5.226 1.00 74.13 H new ATOM 0 HD2 LYS A 5 10.641 -8.507 6.120 1.00 31.25 H new ATOM 0 HD3 LYS A 5 10.417 -10.185 6.574 1.00 31.25 H new ATOM 0 HE2 LYS A 5 12.502 -10.210 7.838 1.00 61.42 H new ATOM 0 HE3 LYS A 5 12.977 -8.647 7.205 1.00 61.42 H new ATOM 0 HZ1 LYS A 5 11.770 -9.003 9.550 1.00 70.44 H new ATOM 0 HZ2 LYS A 5 11.682 -7.562 8.657 1.00 70.44 H new ATOM 0 HZ3 LYS A 5 10.417 -8.691 8.572 1.00 70.44 H new ATOM 82 N VAL A 6 10.721 -5.913 4.181 1.00 74.00 N ATOM 83 CA VAL A 6 9.967 -4.886 4.921 1.00 24.21 C ATOM 84 C VAL A 6 8.594 -5.441 5.365 1.00 32.23 C ATOM 85 O VAL A 6 8.050 -6.350 4.728 1.00 3.25 O ATOM 86 CB VAL A 6 9.795 -3.582 4.042 1.00 24.11 C ATOM 87 CG1 VAL A 6 9.146 -3.885 2.670 1.00 20.31 C ATOM 88 CG2 VAL A 6 9.014 -2.494 4.797 1.00 2.44 C ATOM 0 H VAL A 6 10.363 -6.077 3.240 1.00 74.00 H new ATOM 0 HA VAL A 6 10.530 -4.617 5.815 1.00 24.21 H new ATOM 0 HB VAL A 6 10.797 -3.200 3.846 1.00 24.11 H new ATOM 0 HG11 VAL A 6 9.048 -2.960 2.102 1.00 20.31 H new ATOM 0 HG12 VAL A 6 9.773 -4.586 2.118 1.00 20.31 H new ATOM 0 HG13 VAL A 6 8.160 -4.323 2.823 1.00 20.31 H new ATOM 0 HG21 VAL A 6 8.914 -1.612 4.164 1.00 2.44 H new ATOM 0 HG22 VAL A 6 8.024 -2.870 5.055 1.00 2.44 H new ATOM 0 HG23 VAL A 6 9.550 -2.228 5.708 1.00 2.44 H new ATOM 98 N GLU A 7 8.049 -4.892 6.472 1.00 63.11 N ATOM 99 CA GLU A 7 6.696 -5.214 6.937 1.00 24.41 C ATOM 100 C GLU A 7 5.761 -4.078 6.495 1.00 23.22 C ATOM 101 O GLU A 7 5.898 -2.929 6.932 1.00 72.13 O ATOM 102 CB GLU A 7 6.661 -5.418 8.481 1.00 42.12 C ATOM 103 CG GLU A 7 7.072 -6.836 8.961 1.00 54.10 C ATOM 104 CD GLU A 7 8.495 -7.280 8.601 1.00 13.33 C ATOM 105 OE1 GLU A 7 9.441 -6.491 8.738 1.00 40.31 O ATOM 106 OE2 GLU A 7 8.686 -8.446 8.245 1.00 34.44 O ATOM 0 H GLU A 7 8.537 -4.217 7.061 1.00 63.11 H new ATOM 0 HA GLU A 7 6.365 -6.155 6.498 1.00 24.41 H new ATOM 0 HB2 GLU A 7 7.323 -4.687 8.945 1.00 42.12 H new ATOM 0 HB3 GLU A 7 5.653 -5.207 8.838 1.00 42.12 H new ATOM 0 HG2 GLU A 7 6.963 -6.877 10.045 1.00 54.10 H new ATOM 0 HG3 GLU A 7 6.370 -7.558 8.542 1.00 54.10 H new ATOM 113 N VAL A 8 4.834 -4.422 5.601 1.00 32.31 N ATOM 114 CA VAL A 8 3.874 -3.495 5.000 1.00 70.23 C ATOM 115 C VAL A 8 2.469 -3.863 5.501 1.00 2.25 C ATOM 116 O VAL A 8 1.962 -4.946 5.198 1.00 54.24 O ATOM 117 CB VAL A 8 3.956 -3.567 3.426 1.00 2.51 C ATOM 118 CG1 VAL A 8 2.841 -2.744 2.742 1.00 51.14 C ATOM 119 CG2 VAL A 8 5.353 -3.112 2.932 1.00 54.53 C ATOM 0 H VAL A 8 4.727 -5.379 5.265 1.00 32.31 H new ATOM 0 HA VAL A 8 4.105 -2.470 5.291 1.00 70.23 H new ATOM 0 HB VAL A 8 3.803 -4.609 3.144 1.00 2.51 H new ATOM 0 HG11 VAL A 8 2.941 -2.826 1.660 1.00 51.14 H new ATOM 0 HG12 VAL A 8 1.867 -3.127 3.047 1.00 51.14 H new ATOM 0 HG13 VAL A 8 2.928 -1.698 3.037 1.00 51.14 H new ATOM 0 HG21 VAL A 8 5.390 -3.169 1.844 1.00 54.53 H new ATOM 0 HG22 VAL A 8 5.534 -2.085 3.248 1.00 54.53 H new ATOM 0 HG23 VAL A 8 6.118 -3.762 3.356 1.00 54.53 H new ATOM 129 N GLN A 9 1.859 -2.966 6.289 1.00 53.43 N ATOM 130 CA GLN A 9 0.561 -3.208 6.930 1.00 52.32 C ATOM 131 C GLN A 9 -0.532 -2.491 6.126 1.00 25.15 C ATOM 132 O GLN A 9 -0.595 -1.256 6.138 1.00 61.34 O ATOM 133 CB GLN A 9 0.583 -2.698 8.399 1.00 30.14 C ATOM 134 CG GLN A 9 1.745 -3.257 9.251 1.00 73.41 C ATOM 135 CD GLN A 9 1.670 -2.826 10.714 1.00 22.35 C ATOM 136 OE1 GLN A 9 2.210 -1.789 11.101 1.00 35.34 O ATOM 137 NE2 GLN A 9 1.024 -3.627 11.547 1.00 23.04 N ATOM 0 H GLN A 9 2.254 -2.050 6.500 1.00 53.43 H new ATOM 0 HA GLN A 9 0.353 -4.278 6.948 1.00 52.32 H new ATOM 0 HB2 GLN A 9 0.644 -1.610 8.392 1.00 30.14 H new ATOM 0 HB3 GLN A 9 -0.361 -2.961 8.876 1.00 30.14 H new ATOM 0 HG2 GLN A 9 1.737 -4.346 9.197 1.00 73.41 H new ATOM 0 HG3 GLN A 9 2.692 -2.924 8.827 1.00 73.41 H new ATOM 0 HE21 GLN A 9 0.586 -4.480 11.198 1.00 23.04 H new ATOM 0 HE22 GLN A 9 0.964 -3.391 12.538 1.00 23.04 H new ATOM 146 N VAL A 10 -1.370 -3.261 5.412 1.00 15.23 N ATOM 147 CA VAL A 10 -2.473 -2.711 4.605 1.00 4.22 C ATOM 148 C VAL A 10 -3.747 -2.714 5.472 1.00 15.11 C ATOM 149 O VAL A 10 -4.287 -3.772 5.788 1.00 32.22 O ATOM 150 CB VAL A 10 -2.684 -3.529 3.271 1.00 13.44 C ATOM 151 CG1 VAL A 10 -3.864 -2.968 2.439 1.00 70.30 C ATOM 152 CG2 VAL A 10 -1.374 -3.559 2.436 1.00 32.22 C ATOM 0 H VAL A 10 -1.303 -4.278 5.378 1.00 15.23 H new ATOM 0 HA VAL A 10 -2.232 -1.692 4.302 1.00 4.22 H new ATOM 0 HB VAL A 10 -2.940 -4.553 3.544 1.00 13.44 H new ATOM 0 HG11 VAL A 10 -3.979 -3.556 1.528 1.00 70.30 H new ATOM 0 HG12 VAL A 10 -4.781 -3.024 3.025 1.00 70.30 H new ATOM 0 HG13 VAL A 10 -3.663 -1.929 2.177 1.00 70.30 H new ATOM 0 HG21 VAL A 10 -1.539 -4.127 1.521 1.00 32.22 H new ATOM 0 HG22 VAL A 10 -1.080 -2.540 2.183 1.00 32.22 H new ATOM 0 HG23 VAL A 10 -0.582 -4.031 3.018 1.00 32.22 H new ATOM 162 N LYS A 11 -4.173 -1.511 5.887 1.00 52.50 N ATOM 163 CA LYS A 11 -5.293 -1.305 6.815 1.00 34.35 C ATOM 164 C LYS A 11 -6.437 -0.623 6.051 1.00 60.55 C ATOM 165 O LYS A 11 -6.379 0.575 5.793 1.00 14.35 O ATOM 166 CB LYS A 11 -4.776 -0.424 7.990 1.00 53.44 C ATOM 167 CG LYS A 11 -5.801 -0.045 9.067 1.00 65.22 C ATOM 168 CD LYS A 11 -5.180 0.883 10.133 1.00 11.41 C ATOM 169 CE LYS A 11 -6.189 1.334 11.193 1.00 11.13 C ATOM 170 NZ LYS A 11 -6.731 0.207 12.006 1.00 74.02 N ATOM 0 H LYS A 11 -3.740 -0.639 5.581 1.00 52.50 H new ATOM 0 HA LYS A 11 -5.670 -2.244 7.220 1.00 34.35 H new ATOM 0 HB2 LYS A 11 -3.953 -0.950 8.473 1.00 53.44 H new ATOM 0 HB3 LYS A 11 -4.366 0.495 7.572 1.00 53.44 H new ATOM 0 HG2 LYS A 11 -6.653 0.451 8.602 1.00 65.22 H new ATOM 0 HG3 LYS A 11 -6.180 -0.948 9.545 1.00 65.22 H new ATOM 0 HD2 LYS A 11 -4.355 0.365 10.622 1.00 11.41 H new ATOM 0 HD3 LYS A 11 -4.760 1.761 9.642 1.00 11.41 H new ATOM 0 HE2 LYS A 11 -5.711 2.055 11.856 1.00 11.13 H new ATOM 0 HE3 LYS A 11 -7.015 1.850 10.703 1.00 11.13 H new ATOM 0 HZ1 LYS A 11 -7.632 0.493 12.439 1.00 74.02 H new ATOM 0 HZ2 LYS A 11 -6.888 -0.619 11.393 1.00 74.02 H new ATOM 0 HZ3 LYS A 11 -6.051 -0.041 12.753 1.00 74.02 H new ATOM 184 N ILE A 12 -7.478 -1.386 5.689 1.00 5.53 N ATOM 185 CA ILE A 12 -8.550 -0.901 4.792 1.00 13.42 C ATOM 186 C ILE A 12 -9.924 -0.963 5.484 1.00 51.10 C ATOM 187 O ILE A 12 -10.347 -2.005 5.967 1.00 21.23 O ATOM 188 CB ILE A 12 -8.571 -1.690 3.424 1.00 4.10 C ATOM 189 CG1 ILE A 12 -9.743 -1.191 2.524 1.00 1.45 C ATOM 190 CG2 ILE A 12 -8.629 -3.226 3.627 1.00 12.31 C ATOM 191 CD1 ILE A 12 -9.803 -1.821 1.152 1.00 31.44 C ATOM 0 H ILE A 12 -7.605 -2.348 6.003 1.00 5.53 H new ATOM 0 HA ILE A 12 -8.332 0.142 4.564 1.00 13.42 H new ATOM 0 HB ILE A 12 -7.630 -1.482 2.914 1.00 4.10 H new ATOM 0 HG12 ILE A 12 -10.685 -1.384 3.038 1.00 1.45 H new ATOM 0 HG13 ILE A 12 -9.659 -0.110 2.408 1.00 1.45 H new ATOM 0 HG21 ILE A 12 -8.642 -3.721 2.656 1.00 12.31 H new ATOM 0 HG22 ILE A 12 -7.754 -3.552 4.189 1.00 12.31 H new ATOM 0 HG23 ILE A 12 -9.532 -3.486 4.179 1.00 12.31 H new ATOM 0 HD11 ILE A 12 -10.650 -1.412 0.600 1.00 31.44 H new ATOM 0 HD12 ILE A 12 -8.881 -1.606 0.612 1.00 31.44 H new ATOM 0 HD13 ILE A 12 -9.922 -2.900 1.252 1.00 31.44 H new ATOM 203 N THR A 13 -10.614 0.176 5.498 1.00 20.35 N ATOM 204 CA THR A 13 -11.913 0.335 6.145 1.00 4.12 C ATOM 205 C THR A 13 -13.025 0.210 5.086 1.00 51.22 C ATOM 206 O THR A 13 -13.035 0.969 4.114 1.00 20.44 O ATOM 207 CB THR A 13 -11.986 1.729 6.840 1.00 5.02 C ATOM 208 OG1 THR A 13 -10.811 1.933 7.650 1.00 62.44 O ATOM 209 CG2 THR A 13 -13.234 1.873 7.717 1.00 13.40 C ATOM 0 H THR A 13 -10.279 1.030 5.051 1.00 20.35 H new ATOM 0 HA THR A 13 -12.047 -0.440 6.899 1.00 4.12 H new ATOM 0 HB THR A 13 -12.040 2.481 6.053 1.00 5.02 H new ATOM 0 HG1 THR A 13 -10.039 2.101 7.070 1.00 62.44 H new ATOM 0 HG21 THR A 13 -13.241 2.860 8.180 1.00 13.40 H new ATOM 0 HG22 THR A 13 -14.126 1.754 7.102 1.00 13.40 H new ATOM 0 HG23 THR A 13 -13.223 1.108 8.493 1.00 13.40 H new ATOM 217 N CYS A 14 -13.939 -0.756 5.268 1.00 41.53 N ATOM 218 CA CYS A 14 -15.064 -0.972 4.343 1.00 65.11 C ATOM 219 C CYS A 14 -16.281 -1.500 5.125 1.00 25.11 C ATOM 220 O CYS A 14 -16.140 -2.407 5.962 1.00 13.22 O ATOM 221 CB CYS A 14 -14.661 -1.952 3.215 1.00 72.34 C ATOM 222 SG CYS A 14 -15.673 -1.868 1.675 1.00 72.33 S ATOM 0 H CYS A 14 -13.920 -1.405 6.054 1.00 41.53 H new ATOM 0 HA CYS A 14 -15.332 -0.024 3.877 1.00 65.11 H new ATOM 0 HB2 CYS A 14 -13.620 -1.765 2.953 1.00 72.34 H new ATOM 0 HB3 CYS A 14 -14.714 -2.968 3.607 1.00 72.34 H new ATOM 227 N ASN A 15 -17.450 -0.867 4.867 1.00 42.23 N ATOM 228 CA ASN A 15 -18.784 -1.273 5.360 1.00 72.40 C ATOM 229 C ASN A 15 -18.972 -0.844 6.823 1.00 64.22 C ATOM 230 O ASN A 15 -19.810 0.016 7.120 1.00 52.32 O ATOM 231 CB ASN A 15 -19.069 -2.793 5.127 1.00 60.34 C ATOM 232 CG ASN A 15 -20.476 -3.267 5.537 1.00 21.51 C ATOM 233 OD1 ASN A 15 -20.662 -4.413 5.941 1.00 73.44 O ATOM 234 ND2 ASN A 15 -21.480 -2.411 5.430 1.00 42.45 N ATOM 0 H ASN A 15 -17.489 -0.028 4.288 1.00 42.23 H new ATOM 0 HA ASN A 15 -19.535 -0.748 4.769 1.00 72.40 H new ATOM 0 HB2 ASN A 15 -18.922 -3.016 4.070 1.00 60.34 H new ATOM 0 HB3 ASN A 15 -18.332 -3.374 5.681 1.00 60.34 H new ATOM 0 HD21 ASN A 15 -22.425 -2.699 5.685 1.00 42.45 H new ATOM 0 HD22 ASN A 15 -21.309 -1.464 5.093 1.00 42.45 H new ATOM 241 N GLY A 16 -18.177 -1.427 7.720 1.00 35.15 N ATOM 242 CA GLY A 16 -18.144 -1.004 9.122 1.00 14.10 C ATOM 243 C GLY A 16 -17.008 -1.647 9.900 1.00 33.13 C ATOM 244 O GLY A 16 -16.918 -1.483 11.124 1.00 12.13 O ATOM 0 H GLY A 16 -17.545 -2.197 7.501 1.00 35.15 H new ATOM 0 HA2 GLY A 16 -18.043 0.080 9.168 1.00 14.10 H new ATOM 0 HA3 GLY A 16 -19.093 -1.256 9.596 1.00 14.10 H new ATOM 248 N LYS A 17 -16.135 -2.375 9.180 1.00 52.03 N ATOM 249 CA LYS A 17 -14.972 -3.072 9.752 1.00 71.22 C ATOM 250 C LYS A 17 -13.685 -2.535 9.122 1.00 1.51 C ATOM 251 O LYS A 17 -13.694 -2.046 7.986 1.00 10.41 O ATOM 252 CB LYS A 17 -15.075 -4.594 9.488 1.00 4.22 C ATOM 253 CG LYS A 17 -16.276 -5.295 10.156 1.00 44.25 C ATOM 254 CD LYS A 17 -16.405 -6.782 9.755 1.00 74.10 C ATOM 255 CE LYS A 17 -15.157 -7.612 10.100 1.00 22.01 C ATOM 256 NZ LYS A 17 -14.828 -7.570 11.553 1.00 51.21 N ATOM 0 H LYS A 17 -16.220 -2.496 8.171 1.00 52.03 H new ATOM 0 HA LYS A 17 -14.955 -2.896 10.828 1.00 71.22 H new ATOM 0 HB2 LYS A 17 -15.132 -4.757 8.412 1.00 4.22 H new ATOM 0 HB3 LYS A 17 -14.158 -5.070 9.835 1.00 4.22 H new ATOM 0 HG2 LYS A 17 -16.175 -5.224 11.239 1.00 44.25 H new ATOM 0 HG3 LYS A 17 -17.192 -4.770 9.886 1.00 44.25 H new ATOM 0 HD2 LYS A 17 -17.271 -7.213 10.257 1.00 74.10 H new ATOM 0 HD3 LYS A 17 -16.593 -6.848 8.683 1.00 74.10 H new ATOM 0 HE2 LYS A 17 -15.317 -8.647 9.797 1.00 22.01 H new ATOM 0 HE3 LYS A 17 -14.307 -7.240 9.527 1.00 22.01 H new ATOM 0 HZ1 LYS A 17 -14.011 -8.185 11.742 1.00 51.21 H new ATOM 0 HZ2 LYS A 17 -14.598 -6.594 11.829 1.00 51.21 H new ATOM 0 HZ3 LYS A 17 -15.645 -7.902 12.104 1.00 51.21 H new ATOM 270 N THR A 18 -12.577 -2.654 9.859 1.00 15.20 N ATOM 271 CA THR A 18 -11.246 -2.274 9.374 1.00 52.41 C ATOM 272 C THR A 18 -10.384 -3.544 9.303 1.00 75.43 C ATOM 273 O THR A 18 -10.231 -4.255 10.300 1.00 11.41 O ATOM 274 CB THR A 18 -10.579 -1.199 10.295 1.00 40.12 C ATOM 275 OG1 THR A 18 -11.533 -0.167 10.614 1.00 25.44 O ATOM 276 CG2 THR A 18 -9.356 -0.558 9.614 1.00 42.24 C ATOM 0 H THR A 18 -12.577 -3.018 10.812 1.00 15.20 H new ATOM 0 HA THR A 18 -11.336 -1.823 8.386 1.00 52.41 H new ATOM 0 HB THR A 18 -10.249 -1.700 11.205 1.00 40.12 H new ATOM 0 HG1 THR A 18 -11.110 0.502 11.192 1.00 25.44 H new ATOM 0 HG21 THR A 18 -8.916 0.184 10.280 1.00 42.24 H new ATOM 0 HG22 THR A 18 -8.618 -1.329 9.391 1.00 42.24 H new ATOM 0 HG23 THR A 18 -9.667 -0.075 8.688 1.00 42.24 H new ATOM 284 N TYR A 19 -9.868 -3.834 8.106 1.00 51.54 N ATOM 285 CA TYR A 19 -9.128 -5.059 7.807 1.00 34.34 C ATOM 286 C TYR A 19 -7.643 -4.703 7.672 1.00 62.42 C ATOM 287 O TYR A 19 -7.219 -4.184 6.637 1.00 14.12 O ATOM 288 CB TYR A 19 -9.658 -5.691 6.478 1.00 22.43 C ATOM 289 CG TYR A 19 -11.186 -5.898 6.434 1.00 45.34 C ATOM 290 CD1 TYR A 19 -12.052 -4.837 6.123 1.00 51.43 C ATOM 291 CD2 TYR A 19 -11.759 -7.139 6.710 1.00 72.30 C ATOM 292 CE1 TYR A 19 -13.420 -5.012 6.095 1.00 34.23 C ATOM 293 CE2 TYR A 19 -13.131 -7.315 6.685 1.00 14.24 C ATOM 294 CZ TYR A 19 -13.956 -6.250 6.376 1.00 41.34 C ATOM 295 OH TYR A 19 -15.327 -6.421 6.368 1.00 2.10 O ATOM 0 H TYR A 19 -9.955 -3.211 7.303 1.00 51.54 H new ATOM 0 HA TYR A 19 -9.263 -5.786 8.608 1.00 34.34 H new ATOM 0 HB2 TYR A 19 -9.366 -5.052 5.645 1.00 22.43 H new ATOM 0 HB3 TYR A 19 -9.169 -6.653 6.328 1.00 22.43 H new ATOM 0 HD1 TYR A 19 -11.638 -3.864 5.901 1.00 51.43 H new ATOM 0 HD2 TYR A 19 -11.121 -7.977 6.947 1.00 72.30 H new ATOM 0 HE1 TYR A 19 -14.068 -4.182 5.854 1.00 34.23 H new ATOM 0 HE2 TYR A 19 -13.557 -8.283 6.906 1.00 14.24 H new ATOM 0 HH TYR A 19 -15.542 -7.352 6.585 1.00 2.10 H new ATOM 305 N GLU A 20 -6.865 -4.949 8.729 1.00 0.42 N ATOM 306 CA GLU A 20 -5.405 -4.745 8.708 1.00 2.45 C ATOM 307 C GLU A 20 -4.689 -6.082 8.864 1.00 73.31 C ATOM 308 O GLU A 20 -5.173 -6.989 9.553 1.00 12.01 O ATOM 309 CB GLU A 20 -4.921 -3.710 9.769 1.00 64.13 C ATOM 310 CG GLU A 20 -5.338 -3.961 11.233 1.00 24.04 C ATOM 311 CD GLU A 20 -6.821 -3.669 11.505 1.00 41.13 C ATOM 312 OE1 GLU A 20 -7.210 -2.487 11.488 1.00 23.50 O ATOM 313 OE2 GLU A 20 -7.605 -4.611 11.724 1.00 10.41 O ATOM 0 H GLU A 20 -7.221 -5.293 9.621 1.00 0.42 H new ATOM 0 HA GLU A 20 -5.149 -4.317 7.739 1.00 2.45 H new ATOM 0 HB2 GLU A 20 -3.833 -3.668 9.729 1.00 64.13 H new ATOM 0 HB3 GLU A 20 -5.289 -2.727 9.476 1.00 64.13 H new ATOM 0 HG2 GLU A 20 -5.127 -4.999 11.490 1.00 24.04 H new ATOM 0 HG3 GLU A 20 -4.727 -3.340 11.888 1.00 24.04 H new ATOM 320 N ARG A 21 -3.537 -6.185 8.199 1.00 44.22 N ATOM 321 CA ARG A 21 -2.723 -7.399 8.156 1.00 54.33 C ATOM 322 C ARG A 21 -1.274 -6.983 7.860 1.00 35.21 C ATOM 323 O ARG A 21 -1.042 -6.159 6.970 1.00 4.11 O ATOM 324 CB ARG A 21 -3.267 -8.357 7.053 1.00 2.22 C ATOM 325 CG ARG A 21 -2.539 -9.727 6.906 1.00 33.30 C ATOM 326 CD ARG A 21 -3.090 -10.832 7.830 1.00 4.12 C ATOM 327 NE ARG A 21 -2.985 -10.495 9.260 1.00 4.13 N ATOM 328 CZ ARG A 21 -2.310 -11.202 10.179 1.00 14.13 C ATOM 329 NH1 ARG A 21 -1.653 -12.319 9.854 1.00 63.43 N ATOM 330 NH2 ARG A 21 -2.290 -10.782 11.422 1.00 71.40 N ATOM 0 H ARG A 21 -3.137 -5.413 7.666 1.00 44.22 H new ATOM 0 HA ARG A 21 -2.764 -7.930 9.107 1.00 54.33 H new ATOM 0 HB2 ARG A 21 -4.320 -8.550 7.257 1.00 2.22 H new ATOM 0 HB3 ARG A 21 -3.217 -7.839 6.095 1.00 2.22 H new ATOM 0 HG2 ARG A 21 -2.618 -10.060 5.871 1.00 33.30 H new ATOM 0 HG3 ARG A 21 -1.478 -9.588 7.116 1.00 33.30 H new ATOM 0 HD2 ARG A 21 -4.135 -11.017 7.582 1.00 4.12 H new ATOM 0 HD3 ARG A 21 -2.549 -11.759 7.641 1.00 4.12 H new ATOM 0 HE ARG A 21 -3.466 -9.654 9.578 1.00 4.13 H new ATOM 0 HH11 ARG A 21 -1.658 -12.651 8.890 1.00 63.43 H new ATOM 0 HH12 ARG A 21 -1.147 -12.840 10.570 1.00 63.43 H new ATOM 0 HH21 ARG A 21 -2.784 -9.928 11.680 1.00 71.40 H new ATOM 0 HH22 ARG A 21 -1.781 -11.310 12.131 1.00 71.40 H new ATOM 344 N THR A 22 -0.311 -7.515 8.631 1.00 74.35 N ATOM 345 CA THR A 22 1.117 -7.238 8.424 1.00 53.33 C ATOM 346 C THR A 22 1.694 -8.240 7.404 1.00 60.22 C ATOM 347 O THR A 22 1.778 -9.443 7.685 1.00 54.34 O ATOM 348 CB THR A 22 1.901 -7.321 9.772 1.00 35.14 C ATOM 349 OG1 THR A 22 1.302 -6.437 10.729 1.00 41.01 O ATOM 350 CG2 THR A 22 3.389 -6.955 9.615 1.00 62.22 C ATOM 0 H THR A 22 -0.500 -8.145 9.410 1.00 74.35 H new ATOM 0 HA THR A 22 1.226 -6.226 8.035 1.00 53.33 H new ATOM 0 HB THR A 22 1.848 -8.355 10.111 1.00 35.14 H new ATOM 0 HG1 THR A 22 1.793 -6.490 11.575 1.00 41.01 H new ATOM 0 HG21 THR A 22 3.886 -7.029 10.582 1.00 62.22 H new ATOM 0 HG22 THR A 22 3.860 -7.641 8.911 1.00 62.22 H new ATOM 0 HG23 THR A 22 3.475 -5.935 9.240 1.00 62.22 H new ATOM 358 N TYR A 23 2.051 -7.740 6.214 1.00 25.10 N ATOM 359 CA TYR A 23 2.619 -8.556 5.127 1.00 34.32 C ATOM 360 C TYR A 23 4.140 -8.414 5.120 1.00 42.44 C ATOM 361 O TYR A 23 4.666 -7.323 5.343 1.00 20.54 O ATOM 362 CB TYR A 23 2.056 -8.107 3.755 1.00 12.45 C ATOM 363 CG TYR A 23 0.529 -8.146 3.672 1.00 41.12 C ATOM 364 CD1 TYR A 23 -0.147 -9.327 3.363 1.00 51.44 C ATOM 365 CD2 TYR A 23 -0.236 -7.008 3.927 1.00 72.31 C ATOM 366 CE1 TYR A 23 -1.529 -9.365 3.310 1.00 61.15 C ATOM 367 CE2 TYR A 23 -1.610 -7.045 3.885 1.00 62.03 C ATOM 368 CZ TYR A 23 -2.252 -8.218 3.574 1.00 11.51 C ATOM 369 OH TYR A 23 -3.626 -8.251 3.563 1.00 34.14 O ATOM 0 H TYR A 23 1.954 -6.753 5.975 1.00 25.10 H new ATOM 0 HA TYR A 23 2.345 -9.597 5.296 1.00 34.32 H new ATOM 0 HB2 TYR A 23 2.396 -7.092 3.548 1.00 12.45 H new ATOM 0 HB3 TYR A 23 2.469 -8.747 2.976 1.00 12.45 H new ATOM 0 HD1 TYR A 23 0.417 -10.226 3.162 1.00 51.44 H new ATOM 0 HD2 TYR A 23 0.261 -6.078 4.162 1.00 72.31 H new ATOM 0 HE1 TYR A 23 -2.039 -10.285 3.064 1.00 61.15 H new ATOM 0 HE2 TYR A 23 -2.182 -6.154 4.096 1.00 62.03 H new ATOM 0 HH TYR A 23 -3.976 -7.359 3.770 1.00 34.14 H new ATOM 379 N GLN A 24 4.837 -9.523 4.867 1.00 14.15 N ATOM 380 CA GLN A 24 6.291 -9.534 4.718 1.00 34.02 C ATOM 381 C GLN A 24 6.592 -9.484 3.215 1.00 32.20 C ATOM 382 O GLN A 24 6.392 -10.480 2.504 1.00 62.30 O ATOM 383 CB GLN A 24 6.891 -10.819 5.378 1.00 54.13 C ATOM 384 CG GLN A 24 6.933 -10.797 6.923 1.00 73.12 C ATOM 385 CD GLN A 24 5.569 -10.676 7.619 1.00 10.32 C ATOM 386 OE1 GLN A 24 4.557 -11.206 7.154 1.00 64.23 O ATOM 387 NE2 GLN A 24 5.524 -9.948 8.724 1.00 63.34 N ATOM 0 H GLN A 24 4.406 -10.441 4.760 1.00 14.15 H new ATOM 0 HA GLN A 24 6.745 -8.678 5.218 1.00 34.02 H new ATOM 0 HB2 GLN A 24 6.307 -11.681 5.057 1.00 54.13 H new ATOM 0 HB3 GLN A 24 7.904 -10.963 5.003 1.00 54.13 H new ATOM 0 HG2 GLN A 24 7.418 -11.709 7.269 1.00 73.12 H new ATOM 0 HG3 GLN A 24 7.559 -9.963 7.240 1.00 73.12 H new ATOM 0 HE21 GLN A 24 6.375 -9.520 9.088 1.00 63.34 H new ATOM 0 HE22 GLN A 24 4.638 -9.815 9.211 1.00 63.34 H new ATOM 396 N LEU A 25 7.045 -8.318 2.732 1.00 21.44 N ATOM 397 CA LEU A 25 7.358 -8.107 1.312 1.00 13.44 C ATOM 398 C LEU A 25 8.878 -8.046 1.139 1.00 11.32 C ATOM 399 O LEU A 25 9.529 -7.147 1.675 1.00 54.44 O ATOM 400 CB LEU A 25 6.691 -6.804 0.773 1.00 70.12 C ATOM 401 CG LEU A 25 5.129 -6.739 0.813 1.00 43.31 C ATOM 402 CD1 LEU A 25 4.605 -5.488 0.075 1.00 41.21 C ATOM 403 CD2 LEU A 25 4.484 -8.028 0.248 1.00 35.23 C ATOM 0 H LEU A 25 7.204 -7.496 3.314 1.00 21.44 H new ATOM 0 HA LEU A 25 6.957 -8.940 0.734 1.00 13.44 H new ATOM 0 HB2 LEU A 25 7.080 -5.962 1.346 1.00 70.12 H new ATOM 0 HB3 LEU A 25 7.010 -6.662 -0.260 1.00 70.12 H new ATOM 0 HG LEU A 25 4.836 -6.662 1.860 1.00 43.31 H new ATOM 0 HD11 LEU A 25 3.516 -5.469 0.119 1.00 41.21 H new ATOM 0 HD12 LEU A 25 5.003 -4.592 0.551 1.00 41.21 H new ATOM 0 HD13 LEU A 25 4.926 -5.519 -0.966 1.00 41.21 H new ATOM 0 HD21 LEU A 25 3.398 -7.942 0.294 1.00 35.23 H new ATOM 0 HD22 LEU A 25 4.794 -8.166 -0.788 1.00 35.23 H new ATOM 0 HD23 LEU A 25 4.805 -8.885 0.840 1.00 35.23 H new ATOM 415 N TYR A 26 9.434 -9.025 0.414 1.00 64.24 N ATOM 416 CA TYR A 26 10.866 -9.084 0.103 1.00 53.31 C ATOM 417 C TYR A 26 11.076 -8.736 -1.376 1.00 21.51 C ATOM 418 O TYR A 26 10.495 -9.383 -2.253 1.00 3.55 O ATOM 419 CB TYR A 26 11.419 -10.498 0.424 1.00 75.21 C ATOM 420 CG TYR A 26 12.938 -10.654 0.201 1.00 11.00 C ATOM 421 CD1 TYR A 26 13.846 -10.277 1.183 1.00 0.12 C ATOM 422 CD2 TYR A 26 13.450 -11.172 -0.990 1.00 72.41 C ATOM 423 CE1 TYR A 26 15.203 -10.405 0.987 1.00 40.54 C ATOM 424 CE2 TYR A 26 14.810 -11.302 -1.187 1.00 23.51 C ATOM 425 CZ TYR A 26 15.682 -10.918 -0.197 1.00 41.54 C ATOM 426 OH TYR A 26 17.045 -11.039 -0.388 1.00 74.20 O ATOM 0 H TYR A 26 8.899 -9.802 0.025 1.00 64.24 H new ATOM 0 HA TYR A 26 11.408 -8.362 0.714 1.00 53.31 H new ATOM 0 HB2 TYR A 26 11.190 -10.737 1.462 1.00 75.21 H new ATOM 0 HB3 TYR A 26 10.896 -11.228 -0.194 1.00 75.21 H new ATOM 0 HD1 TYR A 26 13.481 -9.876 2.117 1.00 0.12 H new ATOM 0 HD2 TYR A 26 12.770 -11.477 -1.771 1.00 72.41 H new ATOM 0 HE1 TYR A 26 15.891 -10.103 1.762 1.00 40.54 H new ATOM 0 HE2 TYR A 26 15.187 -11.704 -2.116 1.00 23.51 H new ATOM 0 HH TYR A 26 17.219 -11.419 -1.275 1.00 74.20 H new ATOM 436 N ALA A 27 11.903 -7.718 -1.648 1.00 33.53 N ATOM 437 CA ALA A 27 12.264 -7.333 -3.017 1.00 0.12 C ATOM 438 C ALA A 27 13.704 -6.826 -3.055 1.00 73.34 C ATOM 439 O ALA A 27 14.061 -5.885 -2.340 1.00 63.30 O ATOM 440 CB ALA A 27 11.310 -6.269 -3.563 1.00 34.31 C ATOM 0 H ALA A 27 12.338 -7.141 -0.928 1.00 33.53 H new ATOM 0 HA ALA A 27 12.180 -8.215 -3.652 1.00 0.12 H new ATOM 0 HB1 ALA A 27 11.603 -6.004 -4.579 1.00 34.31 H new ATOM 0 HB2 ALA A 27 10.293 -6.661 -3.569 1.00 34.31 H new ATOM 0 HB3 ALA A 27 11.353 -5.382 -2.930 1.00 34.31 H new ATOM 446 N VAL A 28 14.521 -7.485 -3.879 1.00 35.44 N ATOM 447 CA VAL A 28 15.887 -7.049 -4.197 1.00 2.33 C ATOM 448 C VAL A 28 15.839 -5.820 -5.136 1.00 35.10 C ATOM 449 O VAL A 28 16.710 -4.937 -5.097 1.00 2.32 O ATOM 450 CB VAL A 28 16.681 -8.230 -4.876 1.00 14.24 C ATOM 451 CG1 VAL A 28 18.138 -7.843 -5.211 1.00 23.24 C ATOM 452 CG2 VAL A 28 16.632 -9.510 -4.003 1.00 54.45 C ATOM 0 H VAL A 28 14.251 -8.348 -4.352 1.00 35.44 H new ATOM 0 HA VAL A 28 16.400 -6.767 -3.277 1.00 2.33 H new ATOM 0 HB VAL A 28 16.184 -8.442 -5.822 1.00 14.24 H new ATOM 0 HG11 VAL A 28 18.642 -8.690 -5.677 1.00 23.24 H new ATOM 0 HG12 VAL A 28 18.141 -6.997 -5.898 1.00 23.24 H new ATOM 0 HG13 VAL A 28 18.661 -7.569 -4.295 1.00 23.24 H new ATOM 0 HG21 VAL A 28 17.188 -10.308 -4.496 1.00 54.45 H new ATOM 0 HG22 VAL A 28 17.078 -9.304 -3.030 1.00 54.45 H new ATOM 0 HG23 VAL A 28 15.595 -9.819 -3.868 1.00 54.45 H new ATOM 462 N ARG A 29 14.778 -5.780 -5.967 1.00 14.32 N ATOM 463 CA ARG A 29 14.589 -4.768 -7.020 1.00 45.42 C ATOM 464 C ARG A 29 13.379 -3.860 -6.674 1.00 63.44 C ATOM 465 O ARG A 29 12.428 -4.313 -6.026 1.00 60.43 O ATOM 466 CB ARG A 29 14.374 -5.483 -8.389 1.00 52.03 C ATOM 467 CG ARG A 29 15.291 -6.712 -8.644 1.00 14.31 C ATOM 468 CD ARG A 29 15.052 -7.371 -10.024 1.00 2.33 C ATOM 469 NE ARG A 29 15.710 -8.691 -10.149 1.00 72.20 N ATOM 470 CZ ARG A 29 16.993 -8.903 -10.498 1.00 0.43 C ATOM 471 NH1 ARG A 29 17.807 -7.892 -10.772 1.00 42.01 N ATOM 472 NH2 ARG A 29 17.446 -10.143 -10.577 1.00 42.44 N ATOM 0 H ARG A 29 14.019 -6.460 -5.923 1.00 14.32 H new ATOM 0 HA ARG A 29 15.476 -4.138 -7.088 1.00 45.42 H new ATOM 0 HB2 ARG A 29 13.335 -5.805 -8.453 1.00 52.03 H new ATOM 0 HB3 ARG A 29 14.533 -4.759 -9.188 1.00 52.03 H new ATOM 0 HG2 ARG A 29 16.333 -6.401 -8.572 1.00 14.31 H new ATOM 0 HG3 ARG A 29 15.124 -7.451 -7.861 1.00 14.31 H new ATOM 0 HD2 ARG A 29 13.980 -7.487 -10.186 1.00 2.33 H new ATOM 0 HD3 ARG A 29 15.423 -6.709 -10.807 1.00 2.33 H new ATOM 0 HE ARG A 29 15.140 -9.514 -9.953 1.00 72.20 H new ATOM 0 HH11 ARG A 29 17.464 -6.933 -10.720 1.00 42.01 H new ATOM 0 HH12 ARG A 29 18.776 -8.074 -11.034 1.00 42.01 H new ATOM 0 HH21 ARG A 29 16.825 -10.927 -10.375 1.00 42.44 H new ATOM 0 HH22 ARG A 29 18.416 -10.316 -10.840 1.00 42.44 H new ATOM 486 N ASP A 30 13.423 -2.590 -7.129 1.00 21.44 N ATOM 487 CA ASP A 30 12.363 -1.577 -6.870 1.00 65.54 C ATOM 488 C ASP A 30 11.053 -1.954 -7.590 1.00 52.14 C ATOM 489 O ASP A 30 9.961 -1.876 -7.006 1.00 40.32 O ATOM 490 CB ASP A 30 12.821 -0.166 -7.344 1.00 20.24 C ATOM 491 CG ASP A 30 14.166 0.278 -6.748 1.00 72.50 C ATOM 492 OD1 ASP A 30 14.212 0.627 -5.551 1.00 1.03 O ATOM 493 OD2 ASP A 30 15.186 0.265 -7.472 1.00 35.42 O ATOM 0 H ASP A 30 14.196 -2.231 -7.689 1.00 21.44 H new ATOM 0 HA ASP A 30 12.185 -1.556 -5.795 1.00 65.54 H new ATOM 0 HB2 ASP A 30 12.897 -0.164 -8.431 1.00 20.24 H new ATOM 0 HB3 ASP A 30 12.056 0.564 -7.077 1.00 20.24 H new ATOM 498 N GLU A 31 11.193 -2.364 -8.869 1.00 74.32 N ATOM 499 CA GLU A 31 10.063 -2.785 -9.727 1.00 5.21 C ATOM 500 C GLU A 31 9.340 -4.018 -9.150 1.00 12.14 C ATOM 501 O GLU A 31 8.125 -4.174 -9.333 1.00 34.12 O ATOM 502 CB GLU A 31 10.562 -3.080 -11.165 1.00 43.04 C ATOM 503 CG GLU A 31 11.180 -1.874 -11.904 1.00 1.54 C ATOM 504 CD GLU A 31 10.215 -0.684 -12.078 1.00 10.14 C ATOM 505 OE1 GLU A 31 9.221 -0.814 -12.827 1.00 50.42 O ATOM 506 OE2 GLU A 31 10.439 0.380 -11.464 1.00 74.52 O ATOM 0 H GLU A 31 12.097 -2.413 -9.338 1.00 74.32 H new ATOM 0 HA GLU A 31 9.346 -1.964 -9.758 1.00 5.21 H new ATOM 0 HB2 GLU A 31 11.304 -3.877 -11.119 1.00 43.04 H new ATOM 0 HB3 GLU A 31 9.725 -3.457 -11.753 1.00 43.04 H new ATOM 0 HG2 GLU A 31 12.060 -1.538 -11.356 1.00 1.54 H new ATOM 0 HG3 GLU A 31 11.521 -2.199 -12.887 1.00 1.54 H new ATOM 513 N GLU A 32 10.096 -4.877 -8.447 1.00 12.02 N ATOM 514 CA GLU A 32 9.542 -6.061 -7.786 1.00 32.33 C ATOM 515 C GLU A 32 8.510 -5.671 -6.715 1.00 13.23 C ATOM 516 O GLU A 32 7.430 -6.245 -6.671 1.00 4.00 O ATOM 517 CB GLU A 32 10.678 -6.911 -7.165 1.00 32.51 C ATOM 518 CG GLU A 32 11.501 -7.731 -8.173 1.00 53.43 C ATOM 519 CD GLU A 32 10.663 -8.778 -8.923 1.00 33.14 C ATOM 520 OE1 GLU A 32 10.348 -9.825 -8.322 1.00 13.14 O ATOM 521 OE2 GLU A 32 10.300 -8.557 -10.090 1.00 61.14 O ATOM 0 H GLU A 32 11.103 -4.768 -8.324 1.00 12.02 H new ATOM 0 HA GLU A 32 9.029 -6.659 -8.539 1.00 32.33 H new ATOM 0 HB2 GLU A 32 11.352 -6.248 -6.622 1.00 32.51 H new ATOM 0 HB3 GLU A 32 10.243 -7.593 -6.434 1.00 32.51 H new ATOM 0 HG2 GLU A 32 11.958 -7.055 -8.895 1.00 53.43 H new ATOM 0 HG3 GLU A 32 12.313 -8.233 -7.647 1.00 53.43 H new ATOM 528 N LEU A 33 8.848 -4.675 -5.872 1.00 14.02 N ATOM 529 CA LEU A 33 7.963 -4.242 -4.774 1.00 12.13 C ATOM 530 C LEU A 33 6.689 -3.572 -5.356 1.00 12.14 C ATOM 531 O LEU A 33 5.612 -3.733 -4.795 1.00 42.51 O ATOM 532 CB LEU A 33 8.726 -3.306 -3.775 1.00 21.01 C ATOM 533 CG LEU A 33 8.351 -3.433 -2.245 1.00 0.30 C ATOM 534 CD1 LEU A 33 6.885 -3.079 -1.953 1.00 62.04 C ATOM 535 CD2 LEU A 33 8.679 -4.837 -1.689 1.00 24.12 C ATOM 0 H LEU A 33 9.725 -4.157 -5.931 1.00 14.02 H new ATOM 0 HA LEU A 33 7.647 -5.115 -4.202 1.00 12.13 H new ATOM 0 HB2 LEU A 33 9.794 -3.498 -3.879 1.00 21.01 H new ATOM 0 HB3 LEU A 33 8.556 -2.274 -4.081 1.00 21.01 H new ATOM 0 HG LEU A 33 8.971 -2.699 -1.731 1.00 0.30 H new ATOM 0 HD11 LEU A 33 6.691 -3.186 -0.886 1.00 62.04 H new ATOM 0 HD12 LEU A 33 6.692 -2.050 -2.256 1.00 62.04 H new ATOM 0 HD13 LEU A 33 6.231 -3.750 -2.510 1.00 62.04 H new ATOM 0 HD21 LEU A 33 8.407 -4.884 -0.635 1.00 24.12 H new ATOM 0 HD22 LEU A 33 8.116 -5.588 -2.243 1.00 24.12 H new ATOM 0 HD23 LEU A 33 9.746 -5.031 -1.797 1.00 24.12 H new ATOM 547 N LYS A 34 6.832 -2.863 -6.505 1.00 21.43 N ATOM 548 CA LYS A 34 5.690 -2.238 -7.221 1.00 52.24 C ATOM 549 C LYS A 34 4.586 -3.271 -7.530 1.00 63.31 C ATOM 550 O LYS A 34 3.439 -3.112 -7.103 1.00 31.12 O ATOM 551 CB LYS A 34 6.154 -1.571 -8.550 1.00 22.34 C ATOM 552 CG LYS A 34 7.011 -0.301 -8.384 1.00 41.11 C ATOM 553 CD LYS A 34 7.520 0.263 -9.733 1.00 50.00 C ATOM 554 CE LYS A 34 6.395 0.554 -10.745 1.00 72.43 C ATOM 555 NZ LYS A 34 6.927 1.009 -12.062 1.00 74.22 N ATOM 0 H LYS A 34 7.733 -2.709 -6.958 1.00 21.43 H new ATOM 0 HA LYS A 34 5.284 -1.472 -6.560 1.00 52.24 H new ATOM 0 HB2 LYS A 34 6.724 -2.301 -9.125 1.00 22.34 H new ATOM 0 HB3 LYS A 34 5.272 -1.320 -9.139 1.00 22.34 H new ATOM 0 HG2 LYS A 34 6.424 0.463 -7.875 1.00 41.11 H new ATOM 0 HG3 LYS A 34 7.865 -0.526 -7.745 1.00 41.11 H new ATOM 0 HD2 LYS A 34 8.076 1.182 -9.546 1.00 50.00 H new ATOM 0 HD3 LYS A 34 8.219 -0.448 -10.174 1.00 50.00 H new ATOM 0 HE2 LYS A 34 5.796 -0.345 -10.888 1.00 72.43 H new ATOM 0 HE3 LYS A 34 5.732 1.318 -10.339 1.00 72.43 H new ATOM 0 HZ1 LYS A 34 6.176 0.950 -12.779 1.00 74.22 H new ATOM 0 HZ2 LYS A 34 7.253 1.993 -11.983 1.00 74.22 H new ATOM 0 HZ3 LYS A 34 7.723 0.402 -12.343 1.00 74.22 H new ATOM 569 N GLU A 35 4.962 -4.330 -8.268 1.00 71.43 N ATOM 570 CA GLU A 35 4.025 -5.384 -8.688 1.00 45.11 C ATOM 571 C GLU A 35 3.497 -6.211 -7.494 1.00 24.33 C ATOM 572 O GLU A 35 2.396 -6.752 -7.565 1.00 63.43 O ATOM 573 CB GLU A 35 4.685 -6.268 -9.793 1.00 52.23 C ATOM 574 CG GLU A 35 5.852 -7.207 -9.354 1.00 50.32 C ATOM 575 CD GLU A 35 5.419 -8.593 -8.829 1.00 64.32 C ATOM 576 OE1 GLU A 35 4.307 -9.058 -9.171 1.00 13.11 O ATOM 577 OE2 GLU A 35 6.187 -9.224 -8.079 1.00 33.05 O ATOM 0 H GLU A 35 5.919 -4.478 -8.588 1.00 71.43 H new ATOM 0 HA GLU A 35 3.143 -4.911 -9.119 1.00 45.11 H new ATOM 0 HB2 GLU A 35 3.906 -6.885 -10.242 1.00 52.23 H new ATOM 0 HB3 GLU A 35 5.059 -5.607 -10.575 1.00 52.23 H new ATOM 0 HG2 GLU A 35 6.520 -7.350 -10.203 1.00 50.32 H new ATOM 0 HG3 GLU A 35 6.428 -6.705 -8.576 1.00 50.32 H new ATOM 584 N LYS A 36 4.292 -6.290 -6.406 1.00 44.00 N ATOM 585 CA LYS A 36 3.888 -6.975 -5.156 1.00 52.14 C ATOM 586 C LYS A 36 2.811 -6.169 -4.407 1.00 35.51 C ATOM 587 O LYS A 36 1.934 -6.753 -3.778 1.00 51.13 O ATOM 588 CB LYS A 36 5.127 -7.231 -4.251 1.00 32.33 C ATOM 589 CG LYS A 36 6.060 -8.334 -4.795 1.00 12.02 C ATOM 590 CD LYS A 36 7.455 -8.343 -4.141 1.00 40.43 C ATOM 591 CE LYS A 36 8.382 -9.394 -4.785 1.00 14.25 C ATOM 592 NZ LYS A 36 8.384 -9.317 -6.270 1.00 54.12 N ATOM 0 H LYS A 36 5.227 -5.884 -6.367 1.00 44.00 H new ATOM 0 HA LYS A 36 3.454 -7.939 -5.420 1.00 52.14 H new ATOM 0 HB2 LYS A 36 5.692 -6.304 -4.149 1.00 32.33 H new ATOM 0 HB3 LYS A 36 4.789 -7.510 -3.253 1.00 32.33 H new ATOM 0 HG2 LYS A 36 5.589 -9.305 -4.640 1.00 12.02 H new ATOM 0 HG3 LYS A 36 6.174 -8.203 -5.871 1.00 12.02 H new ATOM 0 HD2 LYS A 36 7.906 -7.355 -4.233 1.00 40.43 H new ATOM 0 HD3 LYS A 36 7.356 -8.550 -3.075 1.00 40.43 H new ATOM 0 HE2 LYS A 36 9.398 -9.253 -4.416 1.00 14.25 H new ATOM 0 HE3 LYS A 36 8.066 -10.390 -4.476 1.00 14.25 H new ATOM 0 HZ1 LYS A 36 9.277 -9.704 -6.637 1.00 54.12 H new ATOM 0 HZ2 LYS A 36 7.587 -9.868 -6.647 1.00 54.12 H new ATOM 0 HZ3 LYS A 36 8.290 -8.325 -6.566 1.00 54.12 H new ATOM 606 N LEU A 37 2.906 -4.831 -4.472 1.00 73.24 N ATOM 607 CA LEU A 37 1.859 -3.934 -3.956 1.00 22.52 C ATOM 608 C LEU A 37 0.562 -4.125 -4.754 1.00 45.41 C ATOM 609 O LEU A 37 -0.508 -4.231 -4.164 1.00 60.24 O ATOM 610 CB LEU A 37 2.326 -2.461 -4.008 1.00 15.22 C ATOM 611 CG LEU A 37 3.501 -2.094 -3.060 1.00 62.52 C ATOM 612 CD1 LEU A 37 4.080 -0.719 -3.413 1.00 24.43 C ATOM 613 CD2 LEU A 37 3.073 -2.160 -1.578 1.00 53.50 C ATOM 0 H LEU A 37 3.704 -4.344 -4.880 1.00 73.24 H new ATOM 0 HA LEU A 37 1.665 -4.186 -2.914 1.00 22.52 H new ATOM 0 HB2 LEU A 37 2.622 -2.229 -5.031 1.00 15.22 H new ATOM 0 HB3 LEU A 37 1.477 -1.821 -3.769 1.00 15.22 H new ATOM 0 HG LEU A 37 4.287 -2.835 -3.203 1.00 62.52 H new ATOM 0 HD11 LEU A 37 4.901 -0.485 -2.735 1.00 24.43 H new ATOM 0 HD12 LEU A 37 4.449 -0.732 -4.439 1.00 24.43 H new ATOM 0 HD13 LEU A 37 3.303 0.039 -3.316 1.00 24.43 H new ATOM 0 HD21 LEU A 37 3.919 -1.898 -0.943 1.00 53.50 H new ATOM 0 HD22 LEU A 37 2.257 -1.459 -1.403 1.00 53.50 H new ATOM 0 HD23 LEU A 37 2.740 -3.170 -1.340 1.00 53.50 H new ATOM 625 N LYS A 38 0.677 -4.182 -6.105 1.00 14.43 N ATOM 626 CA LYS A 38 -0.466 -4.473 -6.993 1.00 32.52 C ATOM 627 C LYS A 38 -1.091 -5.844 -6.662 1.00 40.05 C ATOM 628 O LYS A 38 -2.307 -5.986 -6.695 1.00 74.13 O ATOM 629 CB LYS A 38 -0.039 -4.421 -8.484 1.00 33.20 C ATOM 630 CG LYS A 38 0.524 -3.056 -8.945 1.00 63.54 C ATOM 631 CD LYS A 38 0.752 -2.987 -10.476 1.00 33.02 C ATOM 632 CE LYS A 38 -0.559 -3.101 -11.280 1.00 44.32 C ATOM 633 NZ LYS A 38 -0.327 -3.014 -12.749 1.00 1.53 N ATOM 0 H LYS A 38 1.556 -4.029 -6.600 1.00 14.43 H new ATOM 0 HA LYS A 38 -1.219 -3.704 -6.824 1.00 32.52 H new ATOM 0 HB2 LYS A 38 0.715 -5.188 -8.659 1.00 33.20 H new ATOM 0 HB3 LYS A 38 -0.900 -4.672 -9.104 1.00 33.20 H new ATOM 0 HG2 LYS A 38 -0.165 -2.265 -8.649 1.00 63.54 H new ATOM 0 HG3 LYS A 38 1.467 -2.865 -8.433 1.00 63.54 H new ATOM 0 HD2 LYS A 38 1.244 -2.047 -10.724 1.00 33.02 H new ATOM 0 HD3 LYS A 38 1.427 -3.789 -10.775 1.00 33.02 H new ATOM 0 HE2 LYS A 38 -1.046 -4.048 -11.046 1.00 44.32 H new ATOM 0 HE3 LYS A 38 -1.241 -2.308 -10.974 1.00 44.32 H new ATOM 0 HZ1 LYS A 38 -1.237 -2.891 -13.237 1.00 1.53 H new ATOM 0 HZ2 LYS A 38 0.290 -2.202 -12.956 1.00 1.53 H new ATOM 0 HZ3 LYS A 38 0.128 -3.888 -13.081 1.00 1.53 H new ATOM 647 N LYS A 39 -0.238 -6.838 -6.326 1.00 23.01 N ATOM 648 CA LYS A 39 -0.695 -8.174 -5.892 1.00 43.30 C ATOM 649 C LYS A 39 -1.556 -8.063 -4.616 1.00 24.10 C ATOM 650 O LYS A 39 -2.749 -8.341 -4.656 1.00 13.13 O ATOM 651 CB LYS A 39 0.501 -9.145 -5.645 1.00 0.12 C ATOM 652 CG LYS A 39 1.220 -9.680 -6.910 1.00 13.05 C ATOM 653 CD LYS A 39 0.309 -10.560 -7.803 1.00 41.25 C ATOM 654 CE LYS A 39 1.089 -11.273 -8.929 1.00 62.32 C ATOM 655 NZ LYS A 39 1.818 -10.324 -9.816 1.00 62.41 N ATOM 0 H LYS A 39 0.777 -6.737 -6.348 1.00 23.01 H new ATOM 0 HA LYS A 39 -1.300 -8.587 -6.699 1.00 43.30 H new ATOM 0 HB2 LYS A 39 1.236 -8.633 -5.024 1.00 0.12 H new ATOM 0 HB3 LYS A 39 0.138 -9.997 -5.071 1.00 0.12 H new ATOM 0 HG2 LYS A 39 1.587 -8.837 -7.495 1.00 13.05 H new ATOM 0 HG3 LYS A 39 2.091 -10.261 -6.607 1.00 13.05 H new ATOM 0 HD2 LYS A 39 -0.190 -11.305 -7.183 1.00 41.25 H new ATOM 0 HD3 LYS A 39 -0.471 -9.939 -8.244 1.00 41.25 H new ATOM 0 HE2 LYS A 39 1.801 -11.970 -8.487 1.00 62.32 H new ATOM 0 HE3 LYS A 39 0.395 -11.863 -9.528 1.00 62.32 H new ATOM 0 HZ1 LYS A 39 2.049 -10.796 -10.714 1.00 62.41 H new ATOM 0 HZ2 LYS A 39 1.219 -9.495 -10.005 1.00 62.41 H new ATOM 0 HZ3 LYS A 39 2.696 -10.018 -9.350 1.00 62.41 H new ATOM 669 N VAL A 40 -0.937 -7.578 -3.523 1.00 34.24 N ATOM 670 CA VAL A 40 -1.556 -7.543 -2.180 1.00 54.05 C ATOM 671 C VAL A 40 -2.857 -6.703 -2.171 1.00 11.34 C ATOM 672 O VAL A 40 -3.876 -7.150 -1.645 1.00 61.55 O ATOM 673 CB VAL A 40 -0.535 -7.000 -1.108 1.00 62.22 C ATOM 674 CG1 VAL A 40 -1.189 -6.854 0.282 1.00 62.34 C ATOM 675 CG2 VAL A 40 0.723 -7.906 -1.027 1.00 23.42 C ATOM 0 H VAL A 40 0.009 -7.198 -3.544 1.00 34.24 H new ATOM 0 HA VAL A 40 -1.824 -8.566 -1.916 1.00 54.05 H new ATOM 0 HB VAL A 40 -0.224 -6.007 -1.433 1.00 62.22 H new ATOM 0 HG11 VAL A 40 -0.453 -6.477 0.993 1.00 62.34 H new ATOM 0 HG12 VAL A 40 -2.024 -6.156 0.220 1.00 62.34 H new ATOM 0 HG13 VAL A 40 -1.553 -7.825 0.617 1.00 62.34 H new ATOM 0 HG21 VAL A 40 1.410 -7.508 -0.280 1.00 23.42 H new ATOM 0 HG22 VAL A 40 0.426 -8.916 -0.746 1.00 23.42 H new ATOM 0 HG23 VAL A 40 1.217 -7.930 -1.998 1.00 23.42 H new ATOM 685 N LEU A 41 -2.801 -5.511 -2.792 1.00 40.50 N ATOM 686 CA LEU A 41 -3.942 -4.579 -2.864 1.00 74.45 C ATOM 687 C LEU A 41 -5.105 -5.179 -3.686 1.00 55.31 C ATOM 688 O LEU A 41 -6.192 -5.355 -3.151 1.00 70.55 O ATOM 689 CB LEU A 41 -3.486 -3.202 -3.433 1.00 12.41 C ATOM 690 CG LEU A 41 -2.637 -2.313 -2.460 1.00 20.33 C ATOM 691 CD1 LEU A 41 -1.989 -1.121 -3.197 1.00 51.42 C ATOM 692 CD2 LEU A 41 -3.502 -1.829 -1.277 1.00 13.30 C ATOM 0 H LEU A 41 -1.962 -5.166 -3.259 1.00 40.50 H new ATOM 0 HA LEU A 41 -4.316 -4.416 -1.853 1.00 74.45 H new ATOM 0 HB2 LEU A 41 -2.903 -3.378 -4.337 1.00 12.41 H new ATOM 0 HB3 LEU A 41 -4.372 -2.640 -3.729 1.00 12.41 H new ATOM 0 HG LEU A 41 -1.828 -2.928 -2.067 1.00 20.33 H new ATOM 0 HD11 LEU A 41 -1.409 -0.528 -2.490 1.00 51.42 H new ATOM 0 HD12 LEU A 41 -1.332 -1.493 -3.983 1.00 51.42 H new ATOM 0 HD13 LEU A 41 -2.768 -0.499 -3.639 1.00 51.42 H new ATOM 0 HD21 LEU A 41 -2.897 -1.213 -0.612 1.00 13.30 H new ATOM 0 HD22 LEU A 41 -4.339 -1.241 -1.655 1.00 13.30 H new ATOM 0 HD23 LEU A 41 -3.883 -2.690 -0.728 1.00 13.30 H new ATOM 704 N ASN A 42 -4.847 -5.532 -4.963 1.00 4.43 N ATOM 705 CA ASN A 42 -5.888 -6.049 -5.897 1.00 4.20 C ATOM 706 C ASN A 42 -6.539 -7.357 -5.377 1.00 71.33 C ATOM 707 O ASN A 42 -7.756 -7.539 -5.505 1.00 51.43 O ATOM 708 CB ASN A 42 -5.252 -6.263 -7.299 1.00 71.24 C ATOM 709 CG ASN A 42 -6.235 -6.596 -8.423 1.00 10.24 C ATOM 710 OD1 ASN A 42 -7.346 -6.076 -8.468 1.00 71.33 O ATOM 711 ND2 ASN A 42 -5.833 -7.469 -9.339 1.00 50.55 N ATOM 0 H ASN A 42 -3.919 -5.470 -5.381 1.00 4.43 H new ATOM 0 HA ASN A 42 -6.687 -5.311 -5.966 1.00 4.20 H new ATOM 0 HB2 ASN A 42 -4.706 -5.360 -7.573 1.00 71.24 H new ATOM 0 HB3 ASN A 42 -4.521 -7.069 -7.228 1.00 71.24 H new ATOM 0 HD21 ASN A 42 -6.454 -7.724 -10.107 1.00 50.55 H new ATOM 0 HD22 ASN A 42 -4.904 -7.884 -9.275 1.00 50.55 H new ATOM 718 N GLU A 43 -5.726 -8.247 -4.762 1.00 31.35 N ATOM 719 CA GLU A 43 -6.225 -9.517 -4.185 1.00 74.44 C ATOM 720 C GLU A 43 -7.128 -9.253 -2.967 1.00 3.33 C ATOM 721 O GLU A 43 -8.219 -9.814 -2.866 1.00 21.44 O ATOM 722 CB GLU A 43 -5.061 -10.460 -3.759 1.00 12.42 C ATOM 723 CG GLU A 43 -4.226 -11.065 -4.909 1.00 20.01 C ATOM 724 CD GLU A 43 -5.050 -11.889 -5.914 1.00 31.00 C ATOM 725 OE1 GLU A 43 -5.562 -12.966 -5.532 1.00 2.14 O ATOM 726 OE2 GLU A 43 -5.168 -11.478 -7.090 1.00 41.55 O ATOM 0 H GLU A 43 -4.721 -8.109 -4.653 1.00 31.35 H new ATOM 0 HA GLU A 43 -6.802 -10.008 -4.969 1.00 74.44 H new ATOM 0 HB2 GLU A 43 -4.391 -9.904 -3.103 1.00 12.42 H new ATOM 0 HB3 GLU A 43 -5.478 -11.277 -3.170 1.00 12.42 H new ATOM 0 HG2 GLU A 43 -3.723 -10.258 -5.442 1.00 20.01 H new ATOM 0 HG3 GLU A 43 -3.449 -11.700 -4.485 1.00 20.01 H new ATOM 733 N ARG A 44 -6.650 -8.394 -2.042 1.00 42.42 N ATOM 734 CA ARG A 44 -7.324 -8.159 -0.748 1.00 34.22 C ATOM 735 C ARG A 44 -8.597 -7.321 -0.927 1.00 21.02 C ATOM 736 O ARG A 44 -9.574 -7.505 -0.202 1.00 13.43 O ATOM 737 CB ARG A 44 -6.361 -7.478 0.272 1.00 72.32 C ATOM 738 CG ARG A 44 -6.586 -7.908 1.741 1.00 62.55 C ATOM 739 CD ARG A 44 -6.306 -9.412 1.937 1.00 3.43 C ATOM 740 NE ARG A 44 -4.921 -9.753 1.540 1.00 62.25 N ATOM 741 CZ ARG A 44 -4.541 -10.781 0.755 1.00 5.33 C ATOM 742 NH1 ARG A 44 -5.434 -11.622 0.235 1.00 41.50 N ATOM 743 NH2 ARG A 44 -3.260 -10.955 0.502 1.00 41.21 N ATOM 0 H ARG A 44 -5.797 -7.850 -2.169 1.00 42.42 H new ATOM 0 HA ARG A 44 -7.612 -9.131 -0.349 1.00 34.22 H new ATOM 0 HB2 ARG A 44 -5.333 -7.706 -0.008 1.00 72.32 H new ATOM 0 HB3 ARG A 44 -6.479 -6.397 0.200 1.00 72.32 H new ATOM 0 HG2 ARG A 44 -5.936 -7.327 2.395 1.00 62.55 H new ATOM 0 HG3 ARG A 44 -7.612 -7.686 2.033 1.00 62.55 H new ATOM 0 HD2 ARG A 44 -6.465 -9.682 2.981 1.00 3.43 H new ATOM 0 HD3 ARG A 44 -7.011 -9.996 1.346 1.00 3.43 H new ATOM 0 HE ARG A 44 -4.180 -9.149 1.896 1.00 62.25 H new ATOM 0 HH11 ARG A 44 -6.427 -11.495 0.428 1.00 41.50 H new ATOM 0 HH12 ARG A 44 -5.124 -12.393 -0.356 1.00 41.50 H new ATOM 0 HH21 ARG A 44 -2.571 -10.316 0.898 1.00 41.21 H new ATOM 0 HH22 ARG A 44 -2.958 -11.728 -0.090 1.00 41.21 H new ATOM 757 N MET A 45 -8.569 -6.408 -1.909 1.00 25.11 N ATOM 758 CA MET A 45 -9.686 -5.494 -2.183 1.00 70.12 C ATOM 759 C MET A 45 -10.759 -6.144 -3.065 1.00 33.34 C ATOM 760 O MET A 45 -11.854 -5.593 -3.202 1.00 62.14 O ATOM 761 CB MET A 45 -9.176 -4.171 -2.805 1.00 74.41 C ATOM 762 CG MET A 45 -8.356 -3.297 -1.839 1.00 53.55 C ATOM 763 SD MET A 45 -8.253 -1.577 -2.370 1.00 54.41 S ATOM 764 CE MET A 45 -9.994 -1.120 -2.439 1.00 31.20 C ATOM 0 H MET A 45 -7.773 -6.283 -2.534 1.00 25.11 H new ATOM 0 HA MET A 45 -10.157 -5.263 -1.228 1.00 70.12 H new ATOM 0 HB2 MET A 45 -8.563 -4.404 -3.676 1.00 74.41 H new ATOM 0 HB3 MET A 45 -10.031 -3.596 -3.161 1.00 74.41 H new ATOM 0 HG2 MET A 45 -8.805 -3.340 -0.847 1.00 53.55 H new ATOM 0 HG3 MET A 45 -7.350 -3.706 -1.751 1.00 53.55 H new ATOM 0 HE1 MET A 45 -10.082 -0.043 -2.579 1.00 31.20 H new ATOM 0 HE2 MET A 45 -10.472 -1.634 -3.273 1.00 31.20 H new ATOM 0 HE3 MET A 45 -10.482 -1.406 -1.508 1.00 31.20 H new ATOM 774 N ASP A 46 -10.443 -7.313 -3.649 1.00 41.42 N ATOM 775 CA ASP A 46 -11.398 -8.060 -4.487 1.00 71.51 C ATOM 776 C ASP A 46 -12.670 -8.479 -3.680 1.00 31.54 C ATOM 777 O ASP A 46 -13.783 -8.159 -4.120 1.00 31.40 O ATOM 778 CB ASP A 46 -10.707 -9.262 -5.181 1.00 61.34 C ATOM 779 CG ASP A 46 -11.657 -10.071 -6.080 1.00 42.34 C ATOM 780 OD1 ASP A 46 -12.026 -9.580 -7.169 1.00 64.21 O ATOM 781 OD2 ASP A 46 -12.034 -11.202 -5.711 1.00 13.52 O ATOM 0 H ASP A 46 -9.532 -7.762 -3.556 1.00 41.42 H new ATOM 0 HA ASP A 46 -11.745 -7.395 -5.277 1.00 71.51 H new ATOM 0 HB2 ASP A 46 -9.873 -8.897 -5.780 1.00 61.34 H new ATOM 0 HB3 ASP A 46 -10.288 -9.921 -4.420 1.00 61.34 H new ATOM 786 N PRO A 47 -12.565 -9.177 -2.486 1.00 43.02 N ATOM 787 CA PRO A 47 -13.757 -9.446 -1.646 1.00 72.42 C ATOM 788 C PRO A 47 -14.334 -8.157 -1.008 1.00 14.13 C ATOM 789 O PRO A 47 -15.516 -8.106 -0.732 1.00 1.02 O ATOM 790 CB PRO A 47 -13.232 -10.439 -0.577 1.00 33.12 C ATOM 791 CG PRO A 47 -11.766 -10.148 -0.484 1.00 53.10 C ATOM 792 CD PRO A 47 -11.338 -9.798 -1.888 1.00 52.43 C ATOM 0 HA PRO A 47 -14.589 -9.849 -2.224 1.00 72.42 H new ATOM 0 HB2 PRO A 47 -13.728 -10.289 0.382 1.00 33.12 H new ATOM 0 HB3 PRO A 47 -13.414 -11.473 -0.872 1.00 33.12 H new ATOM 0 HG2 PRO A 47 -11.572 -9.324 0.203 1.00 53.10 H new ATOM 0 HG3 PRO A 47 -11.217 -11.012 -0.109 1.00 53.10 H new ATOM 0 HD2 PRO A 47 -10.497 -9.105 -1.890 1.00 52.43 H new ATOM 0 HD3 PRO A 47 -11.024 -10.682 -2.444 1.00 52.43 H new ATOM 800 N ILE A 48 -13.483 -7.117 -0.825 1.00 15.12 N ATOM 801 CA ILE A 48 -13.885 -5.830 -0.198 1.00 43.53 C ATOM 802 C ILE A 48 -14.955 -5.099 -1.045 1.00 50.45 C ATOM 803 O ILE A 48 -15.957 -4.599 -0.505 1.00 52.33 O ATOM 804 CB ILE A 48 -12.627 -4.902 0.028 1.00 34.15 C ATOM 805 CG1 ILE A 48 -11.672 -5.508 1.107 1.00 51.11 C ATOM 806 CG2 ILE A 48 -13.006 -3.447 0.377 1.00 54.02 C ATOM 807 CD1 ILE A 48 -12.261 -5.672 2.499 1.00 50.05 C ATOM 0 H ILE A 48 -12.503 -7.145 -1.106 1.00 15.12 H new ATOM 0 HA ILE A 48 -14.326 -6.058 0.772 1.00 43.53 H new ATOM 0 HB ILE A 48 -12.097 -4.862 -0.923 1.00 34.15 H new ATOM 0 HG12 ILE A 48 -11.335 -6.484 0.759 1.00 51.11 H new ATOM 0 HG13 ILE A 48 -10.789 -4.874 1.180 1.00 51.11 H new ATOM 0 HG21 ILE A 48 -12.099 -2.859 0.520 1.00 54.02 H new ATOM 0 HG22 ILE A 48 -13.591 -3.018 -0.436 1.00 54.02 H new ATOM 0 HG23 ILE A 48 -13.595 -3.434 1.294 1.00 54.02 H new ATOM 0 HD11 ILE A 48 -11.511 -6.100 3.163 1.00 50.05 H new ATOM 0 HD12 ILE A 48 -12.570 -4.699 2.880 1.00 50.05 H new ATOM 0 HD13 ILE A 48 -13.125 -6.335 2.453 1.00 50.05 H new ATOM 819 N LYS A 49 -14.749 -5.074 -2.374 1.00 15.52 N ATOM 820 CA LYS A 49 -15.692 -4.435 -3.309 1.00 24.21 C ATOM 821 C LYS A 49 -17.020 -5.215 -3.337 1.00 1.13 C ATOM 822 O LYS A 49 -18.097 -4.633 -3.501 1.00 21.14 O ATOM 823 CB LYS A 49 -15.078 -4.335 -4.728 1.00 61.31 C ATOM 824 CG LYS A 49 -13.732 -3.573 -4.790 1.00 61.11 C ATOM 825 CD LYS A 49 -13.062 -3.599 -6.185 1.00 53.43 C ATOM 826 CE LYS A 49 -12.678 -5.019 -6.639 1.00 40.21 C ATOM 827 NZ LYS A 49 -11.944 -5.011 -7.934 1.00 4.41 N ATOM 0 H LYS A 49 -13.935 -5.491 -2.826 1.00 15.52 H new ATOM 0 HA LYS A 49 -15.894 -3.421 -2.962 1.00 24.21 H new ATOM 0 HB2 LYS A 49 -14.930 -5.342 -5.118 1.00 61.31 H new ATOM 0 HB3 LYS A 49 -15.792 -3.840 -5.386 1.00 61.31 H new ATOM 0 HG2 LYS A 49 -13.898 -2.536 -4.497 1.00 61.11 H new ATOM 0 HG3 LYS A 49 -13.047 -4.005 -4.060 1.00 61.11 H new ATOM 0 HD2 LYS A 49 -13.741 -3.160 -6.917 1.00 53.43 H new ATOM 0 HD3 LYS A 49 -12.168 -2.975 -6.165 1.00 53.43 H new ATOM 0 HE2 LYS A 49 -12.059 -5.489 -5.875 1.00 40.21 H new ATOM 0 HE3 LYS A 49 -13.579 -5.624 -6.737 1.00 40.21 H new ATOM 0 HZ1 LYS A 49 -11.704 -5.987 -8.203 1.00 4.41 H new ATOM 0 HZ2 LYS A 49 -12.543 -4.586 -8.670 1.00 4.41 H new ATOM 0 HZ3 LYS A 49 -11.071 -4.455 -7.835 1.00 4.41 H new ATOM 841 N LYS A 50 -16.902 -6.536 -3.147 1.00 2.13 N ATOM 842 CA LYS A 50 -18.034 -7.474 -3.068 1.00 14.03 C ATOM 843 C LYS A 50 -18.818 -7.293 -1.741 1.00 22.41 C ATOM 844 O LYS A 50 -20.032 -7.534 -1.697 1.00 44.24 O ATOM 845 CB LYS A 50 -17.476 -8.913 -3.204 1.00 54.42 C ATOM 846 CG LYS A 50 -18.528 -10.040 -3.308 1.00 71.41 C ATOM 847 CD LYS A 50 -17.891 -11.452 -3.285 1.00 52.33 C ATOM 848 CE LYS A 50 -16.806 -11.650 -4.361 1.00 42.34 C ATOM 849 NZ LYS A 50 -16.145 -12.981 -4.254 1.00 32.14 N ATOM 0 H LYS A 50 -15.997 -6.994 -3.041 1.00 2.13 H new ATOM 0 HA LYS A 50 -18.739 -7.276 -3.875 1.00 14.03 H new ATOM 0 HB2 LYS A 50 -16.841 -8.953 -4.089 1.00 54.42 H new ATOM 0 HB3 LYS A 50 -16.838 -9.117 -2.344 1.00 54.42 H new ATOM 0 HG2 LYS A 50 -19.234 -9.950 -2.483 1.00 71.41 H new ATOM 0 HG3 LYS A 50 -19.097 -9.917 -4.229 1.00 71.41 H new ATOM 0 HD2 LYS A 50 -17.455 -11.630 -2.302 1.00 52.33 H new ATOM 0 HD3 LYS A 50 -18.673 -12.198 -3.426 1.00 52.33 H new ATOM 0 HE2 LYS A 50 -17.254 -11.547 -5.349 1.00 42.34 H new ATOM 0 HE3 LYS A 50 -16.056 -10.865 -4.267 1.00 42.34 H new ATOM 0 HZ1 LYS A 50 -15.423 -13.071 -4.997 1.00 32.14 H new ATOM 0 HZ2 LYS A 50 -15.695 -13.071 -3.321 1.00 32.14 H new ATOM 0 HZ3 LYS A 50 -16.855 -13.732 -4.370 1.00 32.14 H new ATOM 863 N LEU A 51 -18.112 -6.848 -0.671 1.00 44.25 N ATOM 864 CA LEU A 51 -18.737 -6.538 0.642 1.00 40.04 C ATOM 865 C LEU A 51 -19.587 -5.267 0.512 1.00 2.44 C ATOM 866 O LEU A 51 -20.628 -5.129 1.167 1.00 33.51 O ATOM 867 CB LEU A 51 -17.665 -6.356 1.764 1.00 53.00 C ATOM 868 CG LEU A 51 -16.763 -7.591 2.074 1.00 71.43 C ATOM 869 CD1 LEU A 51 -15.759 -7.292 3.204 1.00 50.14 C ATOM 870 CD2 LEU A 51 -17.604 -8.846 2.382 1.00 23.21 C ATOM 0 H LEU A 51 -17.104 -6.695 -0.692 1.00 44.25 H new ATOM 0 HA LEU A 51 -19.368 -7.379 0.927 1.00 40.04 H new ATOM 0 HB2 LEU A 51 -17.019 -5.523 1.486 1.00 53.00 H new ATOM 0 HB3 LEU A 51 -18.178 -6.069 2.682 1.00 53.00 H new ATOM 0 HG LEU A 51 -16.185 -7.801 1.174 1.00 71.43 H new ATOM 0 HD11 LEU A 51 -15.149 -8.175 3.392 1.00 50.14 H new ATOM 0 HD12 LEU A 51 -15.116 -6.463 2.909 1.00 50.14 H new ATOM 0 HD13 LEU A 51 -16.301 -7.026 4.112 1.00 50.14 H new ATOM 0 HD21 LEU A 51 -16.941 -9.685 2.593 1.00 23.21 H new ATOM 0 HD22 LEU A 51 -18.237 -8.656 3.249 1.00 23.21 H new ATOM 0 HD23 LEU A 51 -18.230 -9.085 1.522 1.00 23.21 H new ATOM 882 N GLY A 52 -19.117 -4.343 -0.343 1.00 64.43 N ATOM 883 CA GLY A 52 -19.914 -3.193 -0.762 1.00 33.12 C ATOM 884 C GLY A 52 -19.749 -1.985 0.144 1.00 5.30 C ATOM 885 O GLY A 52 -20.060 -2.052 1.341 1.00 23.44 O ATOM 0 H GLY A 52 -18.185 -4.377 -0.755 1.00 64.43 H new ATOM 0 HA2 GLY A 52 -19.634 -2.917 -1.779 1.00 33.12 H new ATOM 0 HA3 GLY A 52 -20.966 -3.478 -0.787 1.00 33.12 H new ATOM 889 N CYS A 53 -19.279 -0.877 -0.441 1.00 31.35 N ATOM 890 CA CYS A 53 -19.035 0.389 0.260 1.00 51.10 C ATOM 891 C CYS A 53 -19.161 1.545 -0.748 1.00 11.21 C ATOM 892 O CYS A 53 -19.011 1.333 -1.959 1.00 73.12 O ATOM 893 CB CYS A 53 -17.624 0.373 0.898 1.00 5.15 C ATOM 894 SG CYS A 53 -17.398 -0.912 2.173 1.00 13.13 S ATOM 0 H CYS A 53 -19.053 -0.835 -1.435 1.00 31.35 H new ATOM 0 HA CYS A 53 -19.767 0.524 1.056 1.00 51.10 H new ATOM 0 HB2 CYS A 53 -16.883 0.224 0.112 1.00 5.15 H new ATOM 0 HB3 CYS A 53 -17.426 1.349 1.342 1.00 5.15 H new ATOM 899 N LYS A 54 -19.461 2.760 -0.260 1.00 3.52 N ATOM 900 CA LYS A 54 -19.421 3.969 -1.111 1.00 11.11 C ATOM 901 C LYS A 54 -17.955 4.364 -1.358 1.00 64.43 C ATOM 902 O LYS A 54 -17.581 4.759 -2.457 1.00 15.50 O ATOM 903 CB LYS A 54 -20.222 5.168 -0.504 1.00 50.31 C ATOM 904 CG LYS A 54 -19.613 5.856 0.756 1.00 32.34 C ATOM 905 CD LYS A 54 -19.853 5.086 2.074 1.00 73.14 C ATOM 906 CE LYS A 54 -21.328 5.121 2.524 1.00 24.50 C ATOM 907 NZ LYS A 54 -21.556 4.266 3.722 1.00 1.04 N ATOM 0 H LYS A 54 -19.731 2.934 0.708 1.00 3.52 H new ATOM 0 HA LYS A 54 -19.908 3.727 -2.056 1.00 11.11 H new ATOM 0 HB2 LYS A 54 -20.341 5.924 -1.280 1.00 50.31 H new ATOM 0 HB3 LYS A 54 -21.221 4.814 -0.248 1.00 50.31 H new ATOM 0 HG2 LYS A 54 -18.540 5.976 0.608 1.00 32.34 H new ATOM 0 HG3 LYS A 54 -20.035 6.856 0.850 1.00 32.34 H new ATOM 0 HD2 LYS A 54 -19.541 4.049 1.946 1.00 73.14 H new ATOM 0 HD3 LYS A 54 -19.228 5.513 2.858 1.00 73.14 H new ATOM 0 HE2 LYS A 54 -21.616 6.148 2.749 1.00 24.50 H new ATOM 0 HE3 LYS A 54 -21.966 4.782 1.708 1.00 24.50 H new ATOM 0 HZ1 LYS A 54 -22.558 4.313 3.997 1.00 1.04 H new ATOM 0 HZ2 LYS A 54 -21.304 3.282 3.499 1.00 1.04 H new ATOM 0 HZ3 LYS A 54 -20.965 4.605 4.508 1.00 1.04 H new ATOM 921 N ARG A 55 -17.125 4.185 -0.317 1.00 60.43 N ATOM 922 CA ARG A 55 -15.719 4.595 -0.312 1.00 73.33 C ATOM 923 C ARG A 55 -14.962 3.778 0.741 1.00 52.33 C ATOM 924 O ARG A 55 -15.538 3.392 1.765 1.00 71.52 O ATOM 925 CB ARG A 55 -15.614 6.118 -0.023 1.00 11.31 C ATOM 926 CG ARG A 55 -14.195 6.719 -0.160 1.00 14.24 C ATOM 927 CD ARG A 55 -14.186 8.242 0.024 1.00 34.34 C ATOM 928 NE ARG A 55 -15.102 8.911 -0.923 1.00 4.01 N ATOM 929 CZ ARG A 55 -15.136 10.223 -1.167 1.00 71.14 C ATOM 930 NH1 ARG A 55 -14.302 11.061 -0.562 1.00 72.42 N ATOM 931 NH2 ARG A 55 -16.024 10.692 -2.029 1.00 61.14 N ATOM 0 H ARG A 55 -17.420 3.745 0.555 1.00 60.43 H new ATOM 0 HA ARG A 55 -15.272 4.407 -1.288 1.00 73.33 H new ATOM 0 HB2 ARG A 55 -16.282 6.647 -0.702 1.00 11.31 H new ATOM 0 HB3 ARG A 55 -15.974 6.305 0.989 1.00 11.31 H new ATOM 0 HG2 ARG A 55 -13.537 6.262 0.579 1.00 14.24 H new ATOM 0 HG3 ARG A 55 -13.792 6.472 -1.142 1.00 14.24 H new ATOM 0 HD2 ARG A 55 -14.476 8.487 1.046 1.00 34.34 H new ATOM 0 HD3 ARG A 55 -13.174 8.620 -0.120 1.00 34.34 H new ATOM 0 HE ARG A 55 -15.762 8.323 -1.432 1.00 4.01 H new ATOM 0 HH11 ARG A 55 -13.617 10.706 0.105 1.00 72.42 H new ATOM 0 HH12 ARG A 55 -14.347 12.060 -0.764 1.00 72.42 H new ATOM 0 HH21 ARG A 55 -16.669 10.054 -2.495 1.00 61.14 H new ATOM 0 HH22 ARG A 55 -16.064 11.692 -2.227 1.00 61.14 H new ATOM 945 N VAL A 56 -13.675 3.515 0.480 1.00 24.41 N ATOM 946 CA VAL A 56 -12.786 2.793 1.410 1.00 23.23 C ATOM 947 C VAL A 56 -11.673 3.726 1.901 1.00 62.33 C ATOM 948 O VAL A 56 -11.171 4.555 1.133 1.00 64.12 O ATOM 949 CB VAL A 56 -12.143 1.516 0.747 1.00 63.41 C ATOM 950 CG1 VAL A 56 -13.200 0.418 0.515 1.00 4.52 C ATOM 951 CG2 VAL A 56 -11.404 1.867 -0.569 1.00 4.22 C ATOM 0 H VAL A 56 -13.215 3.797 -0.386 1.00 24.41 H new ATOM 0 HA VAL A 56 -13.397 2.462 2.250 1.00 23.23 H new ATOM 0 HB VAL A 56 -11.401 1.126 1.444 1.00 63.41 H new ATOM 0 HG11 VAL A 56 -12.728 -0.451 0.057 1.00 4.52 H new ATOM 0 HG12 VAL A 56 -13.641 0.130 1.469 1.00 4.52 H new ATOM 0 HG13 VAL A 56 -13.980 0.797 -0.145 1.00 4.52 H new ATOM 0 HG21 VAL A 56 -10.974 0.962 -0.997 1.00 4.22 H new ATOM 0 HG22 VAL A 56 -12.109 2.304 -1.277 1.00 4.22 H new ATOM 0 HG23 VAL A 56 -10.609 2.583 -0.360 1.00 4.22 H new ATOM 961 N ARG A 57 -11.331 3.616 3.193 1.00 51.20 N ATOM 962 CA ARG A 57 -10.196 4.335 3.784 1.00 11.13 C ATOM 963 C ARG A 57 -9.052 3.336 3.995 1.00 4.02 C ATOM 964 O ARG A 57 -9.077 2.534 4.935 1.00 33.12 O ATOM 965 CB ARG A 57 -10.613 4.989 5.127 1.00 12.14 C ATOM 966 CG ARG A 57 -9.490 5.789 5.839 1.00 1.32 C ATOM 967 CD ARG A 57 -9.942 6.355 7.197 1.00 61.53 C ATOM 968 NE ARG A 57 -11.087 7.286 7.062 1.00 52.40 N ATOM 969 CZ ARG A 57 -12.310 7.110 7.599 1.00 13.43 C ATOM 970 NH1 ARG A 57 -12.589 6.030 8.329 1.00 52.42 N ATOM 971 NH2 ARG A 57 -13.245 8.015 7.396 1.00 13.41 N ATOM 0 H ARG A 57 -11.834 3.026 3.856 1.00 51.20 H new ATOM 0 HA ARG A 57 -9.868 5.133 3.118 1.00 11.13 H new ATOM 0 HB2 ARG A 57 -11.455 5.657 4.944 1.00 12.14 H new ATOM 0 HB3 ARG A 57 -10.966 4.208 5.801 1.00 12.14 H new ATOM 0 HG2 ARG A 57 -8.626 5.142 5.988 1.00 1.32 H new ATOM 0 HG3 ARG A 57 -9.168 6.608 5.196 1.00 1.32 H new ATOM 0 HD2 ARG A 57 -10.220 5.533 7.857 1.00 61.53 H new ATOM 0 HD3 ARG A 57 -9.107 6.874 7.668 1.00 61.53 H new ATOM 0 HE ARG A 57 -10.936 8.134 6.515 1.00 52.40 H new ATOM 0 HH11 ARG A 57 -11.872 5.322 8.488 1.00 52.42 H new ATOM 0 HH12 ARG A 57 -13.520 5.911 8.729 1.00 52.42 H new ATOM 0 HH21 ARG A 57 -13.041 8.842 6.835 1.00 13.41 H new ATOM 0 HH22 ARG A 57 -14.173 7.889 7.799 1.00 13.41 H new ATOM 985 N ILE A 58 -8.058 3.398 3.114 1.00 1.04 N ATOM 986 CA ILE A 58 -6.863 2.549 3.174 1.00 1.44 C ATOM 987 C ILE A 58 -5.765 3.330 3.919 1.00 52.00 C ATOM 988 O ILE A 58 -5.703 4.561 3.841 1.00 71.21 O ATOM 989 CB ILE A 58 -6.365 2.149 1.727 1.00 63.44 C ATOM 990 CG1 ILE A 58 -7.546 1.580 0.869 1.00 44.12 C ATOM 991 CG2 ILE A 58 -5.189 1.140 1.787 1.00 74.34 C ATOM 992 CD1 ILE A 58 -7.209 1.301 -0.592 1.00 42.41 C ATOM 0 H ILE A 58 -8.056 4.046 2.327 1.00 1.04 H new ATOM 0 HA ILE A 58 -7.100 1.623 3.698 1.00 1.44 H new ATOM 0 HB ILE A 58 -5.996 3.054 1.244 1.00 63.44 H new ATOM 0 HG12 ILE A 58 -7.895 0.655 1.328 1.00 44.12 H new ATOM 0 HG13 ILE A 58 -8.375 2.287 0.906 1.00 44.12 H new ATOM 0 HG21 ILE A 58 -4.874 0.888 0.774 1.00 74.34 H new ATOM 0 HG22 ILE A 58 -4.354 1.586 2.327 1.00 74.34 H new ATOM 0 HG23 ILE A 58 -5.512 0.235 2.302 1.00 74.34 H new ATOM 0 HD11 ILE A 58 -8.090 0.910 -1.101 1.00 42.41 H new ATOM 0 HD12 ILE A 58 -6.891 2.225 -1.075 1.00 42.41 H new ATOM 0 HD13 ILE A 58 -6.404 0.568 -0.646 1.00 42.41 H new ATOM 1004 N SER A 59 -4.940 2.608 4.666 1.00 3.13 N ATOM 1005 CA SER A 59 -3.816 3.159 5.410 1.00 50.25 C ATOM 1006 C SER A 59 -2.694 2.119 5.353 1.00 14.01 C ATOM 1007 O SER A 59 -2.770 1.083 6.007 1.00 23.52 O ATOM 1008 CB SER A 59 -4.236 3.461 6.876 1.00 63.40 C ATOM 1009 OG SER A 59 -5.367 4.328 6.937 1.00 40.50 O ATOM 0 H SER A 59 -5.037 1.598 4.774 1.00 3.13 H new ATOM 0 HA SER A 59 -3.479 4.102 4.979 1.00 50.25 H new ATOM 0 HB2 SER A 59 -4.467 2.527 7.387 1.00 63.40 H new ATOM 0 HB3 SER A 59 -3.400 3.917 7.407 1.00 63.40 H new ATOM 0 HG SER A 59 -5.602 4.493 7.874 1.00 40.50 H new ATOM 1015 N ILE A 60 -1.691 2.365 4.511 1.00 65.11 N ATOM 1016 CA ILE A 60 -0.545 1.466 4.348 1.00 70.44 C ATOM 1017 C ILE A 60 0.649 2.043 5.115 1.00 64.34 C ATOM 1018 O ILE A 60 1.214 3.065 4.716 1.00 3.54 O ATOM 1019 CB ILE A 60 -0.198 1.273 2.829 1.00 64.53 C ATOM 1020 CG1 ILE A 60 -1.421 0.683 2.059 1.00 12.04 C ATOM 1021 CG2 ILE A 60 1.057 0.390 2.642 1.00 25.20 C ATOM 1022 CD1 ILE A 60 -1.214 0.537 0.562 1.00 11.44 C ATOM 0 H ILE A 60 -1.649 3.195 3.920 1.00 65.11 H new ATOM 0 HA ILE A 60 -0.792 0.484 4.751 1.00 70.44 H new ATOM 0 HB ILE A 60 0.030 2.253 2.410 1.00 64.53 H new ATOM 0 HG12 ILE A 60 -1.659 -0.295 2.477 1.00 12.04 H new ATOM 0 HG13 ILE A 60 -2.286 1.323 2.232 1.00 12.04 H new ATOM 0 HG21 ILE A 60 1.268 0.278 1.578 1.00 25.20 H new ATOM 0 HG22 ILE A 60 1.909 0.860 3.133 1.00 25.20 H new ATOM 0 HG23 ILE A 60 0.880 -0.591 3.082 1.00 25.20 H new ATOM 0 HD11 ILE A 60 -2.114 0.120 0.109 1.00 11.44 H new ATOM 0 HD12 ILE A 60 -1.008 1.515 0.126 1.00 11.44 H new ATOM 0 HD13 ILE A 60 -0.372 -0.129 0.374 1.00 11.44 H new ATOM 1034 N ARG A 61 0.998 1.414 6.244 1.00 53.13 N ATOM 1035 CA ARG A 61 2.161 1.816 7.041 1.00 13.04 C ATOM 1036 C ARG A 61 3.328 0.908 6.665 1.00 60.12 C ATOM 1037 O ARG A 61 3.221 -0.319 6.789 1.00 5.22 O ATOM 1038 CB ARG A 61 1.871 1.724 8.564 1.00 74.02 C ATOM 1039 CG ARG A 61 2.920 2.450 9.437 1.00 12.05 C ATOM 1040 CD ARG A 61 2.620 2.386 10.945 1.00 33.30 C ATOM 1041 NE ARG A 61 2.936 1.067 11.521 1.00 1.42 N ATOM 1042 CZ ARG A 61 3.998 0.807 12.307 1.00 24.50 C ATOM 1043 NH1 ARG A 61 4.861 1.777 12.629 1.00 51.14 N ATOM 1044 NH2 ARG A 61 4.193 -0.423 12.756 1.00 72.45 N ATOM 0 H ARG A 61 0.487 0.619 6.627 1.00 53.13 H new ATOM 0 HA ARG A 61 2.402 2.857 6.827 1.00 13.04 H new ATOM 0 HB2 ARG A 61 0.887 2.148 8.765 1.00 74.02 H new ATOM 0 HB3 ARG A 61 1.831 0.674 8.855 1.00 74.02 H new ATOM 0 HG2 ARG A 61 3.900 2.011 9.252 1.00 12.05 H new ATOM 0 HG3 ARG A 61 2.975 3.495 9.130 1.00 12.05 H new ATOM 0 HD2 ARG A 61 3.197 3.153 11.461 1.00 33.30 H new ATOM 0 HD3 ARG A 61 1.567 2.611 11.114 1.00 33.30 H new ATOM 0 HE ARG A 61 2.304 0.295 11.309 1.00 1.42 H new ATOM 0 HH11 ARG A 61 4.718 2.724 12.278 1.00 51.14 H new ATOM 0 HH12 ARG A 61 5.662 1.570 13.225 1.00 51.14 H new ATOM 0 HH21 ARG A 61 3.541 -1.166 12.506 1.00 72.45 H new ATOM 0 HH22 ARG A 61 4.995 -0.627 13.352 1.00 72.45 H new ATOM 1058 N VAL A 62 4.419 1.506 6.189 1.00 31.40 N ATOM 1059 CA VAL A 62 5.625 0.762 5.826 1.00 74.31 C ATOM 1060 C VAL A 62 6.569 0.791 7.040 1.00 73.03 C ATOM 1061 O VAL A 62 6.645 1.810 7.748 1.00 3.22 O ATOM 1062 CB VAL A 62 6.312 1.365 4.534 1.00 13.13 C ATOM 1063 CG1 VAL A 62 7.130 2.646 4.816 1.00 71.03 C ATOM 1064 CG2 VAL A 62 7.180 0.316 3.818 1.00 54.21 C ATOM 0 H VAL A 62 4.493 2.513 6.045 1.00 31.40 H new ATOM 0 HA VAL A 62 5.372 -0.268 5.575 1.00 74.31 H new ATOM 0 HB VAL A 62 5.495 1.655 3.873 1.00 13.13 H new ATOM 0 HG11 VAL A 62 7.574 3.006 3.888 1.00 71.03 H new ATOM 0 HG12 VAL A 62 6.474 3.414 5.226 1.00 71.03 H new ATOM 0 HG13 VAL A 62 7.920 2.423 5.533 1.00 71.03 H new ATOM 0 HG21 VAL A 62 7.637 0.763 2.935 1.00 54.21 H new ATOM 0 HG22 VAL A 62 7.961 -0.033 4.494 1.00 54.21 H new ATOM 0 HG23 VAL A 62 6.558 -0.527 3.517 1.00 54.21 H new ATOM 1074 N LYS A 63 7.241 -0.332 7.316 1.00 41.21 N ATOM 1075 CA LYS A 63 8.185 -0.397 8.430 1.00 25.30 C ATOM 1076 C LYS A 63 9.523 0.201 7.993 1.00 73.34 C ATOM 1077 O LYS A 63 10.010 -0.073 6.887 1.00 52.05 O ATOM 1078 CB LYS A 63 8.398 -1.838 8.929 1.00 63.12 C ATOM 1079 CG LYS A 63 9.201 -1.925 10.256 1.00 13.02 C ATOM 1080 CD LYS A 63 9.705 -3.344 10.547 1.00 31.31 C ATOM 1081 CE LYS A 63 10.788 -3.795 9.546 1.00 41.13 C ATOM 1082 NZ LYS A 63 12.052 -3.028 9.693 1.00 43.11 N ATOM 0 H LYS A 63 7.148 -1.199 6.787 1.00 41.21 H new ATOM 0 HA LYS A 63 7.765 0.175 9.257 1.00 25.30 H new ATOM 0 HB2 LYS A 63 7.427 -2.312 9.070 1.00 63.12 H new ATOM 0 HB3 LYS A 63 8.921 -2.406 8.160 1.00 63.12 H new ATOM 0 HG2 LYS A 63 10.051 -1.244 10.208 1.00 13.02 H new ATOM 0 HG3 LYS A 63 8.571 -1.591 11.080 1.00 13.02 H new ATOM 0 HD2 LYS A 63 10.109 -3.384 11.559 1.00 31.31 H new ATOM 0 HD3 LYS A 63 8.867 -4.040 10.511 1.00 31.31 H new ATOM 0 HE2 LYS A 63 10.992 -4.856 9.689 1.00 41.13 H new ATOM 0 HE3 LYS A 63 10.411 -3.677 8.530 1.00 41.13 H new ATOM 0 HZ1 LYS A 63 12.784 -3.445 9.083 1.00 43.11 H new ATOM 0 HZ2 LYS A 63 11.892 -2.039 9.415 1.00 43.11 H new ATOM 0 HZ3 LYS A 63 12.366 -3.063 10.684 1.00 43.11 H new ATOM 1096 N HIS A 64 10.108 1.013 8.869 1.00 34.31 N ATOM 1097 CA HIS A 64 11.401 1.644 8.632 1.00 12.41 C ATOM 1098 C HIS A 64 12.507 0.675 9.067 1.00 11.12 C ATOM 1099 O HIS A 64 12.565 0.273 10.234 1.00 32.13 O ATOM 1100 CB HIS A 64 11.453 2.990 9.387 1.00 71.25 C ATOM 1101 CG HIS A 64 10.480 4.005 8.824 1.00 20.52 C ATOM 1102 ND1 HIS A 64 10.352 4.508 7.565 1.00 34.33 N flip ATOM 1103 CD2 HIS A 64 9.503 4.620 9.569 1.00 62.21 C flip ATOM 1104 CE1 HIS A 64 9.320 5.402 7.585 1.00 1.20 C flip ATOM 1105 NE2 HIS A 64 8.825 5.447 8.800 1.00 41.42 N flip ATOM 0 H HIS A 64 9.694 1.253 9.770 1.00 34.31 H new ATOM 0 HA HIS A 64 11.550 1.862 7.575 1.00 12.41 H new ATOM 0 HB2 HIS A 64 11.229 2.822 10.440 1.00 71.25 H new ATOM 0 HB3 HIS A 64 12.464 3.393 9.336 1.00 71.25 H new ATOM 0 HD1 HIS A 64 10.922 4.262 6.756 1.00 34.33 H new ATOM 0 HD2 HIS A 64 9.320 4.452 10.620 1.00 62.21 H new ATOM 0 HE1 HIS A 64 8.969 5.977 6.741 1.00 1.20 H new ATOM 1114 N SER A 65 13.335 0.260 8.092 1.00 62.31 N ATOM 1115 CA SER A 65 14.371 -0.766 8.282 1.00 51.44 C ATOM 1116 C SER A 65 15.473 -0.294 9.252 1.00 11.03 C ATOM 1117 O SER A 65 15.653 -0.864 10.332 1.00 3.55 O ATOM 1118 CB SER A 65 14.960 -1.145 6.904 1.00 32.34 C ATOM 1119 OG SER A 65 15.386 0.004 6.178 1.00 1.34 O ATOM 0 H SER A 65 13.302 0.632 7.143 1.00 62.31 H new ATOM 0 HA SER A 65 13.917 -1.647 8.737 1.00 51.44 H new ATOM 0 HB2 SER A 65 15.804 -1.821 7.043 1.00 32.34 H new ATOM 0 HB3 SER A 65 14.211 -1.685 6.324 1.00 32.34 H new ATOM 0 HG SER A 65 16.364 0.013 6.124 1.00 1.34 H new ATOM 1125 N ASP A 66 16.167 0.777 8.858 1.00 3.33 N ATOM 1126 CA ASP A 66 17.299 1.349 9.611 1.00 62.40 C ATOM 1127 C ASP A 66 17.313 2.854 9.368 1.00 51.30 C ATOM 1128 O ASP A 66 17.100 3.267 8.234 1.00 73.32 O ATOM 1129 CB ASP A 66 18.634 0.701 9.148 1.00 42.53 C ATOM 1130 CG ASP A 66 19.883 1.279 9.844 1.00 11.01 C ATOM 1131 OD1 ASP A 66 20.266 0.782 10.924 1.00 64.51 O ATOM 1132 OD2 ASP A 66 20.478 2.247 9.329 1.00 15.31 O ATOM 0 H ASP A 66 15.960 1.282 7.996 1.00 3.33 H new ATOM 0 HA ASP A 66 17.188 1.148 10.677 1.00 62.40 H new ATOM 0 HB2 ASP A 66 18.590 -0.372 9.335 1.00 42.53 H new ATOM 0 HB3 ASP A 66 18.736 0.833 8.071 1.00 42.53 H new ATOM 1137 N ALA A 67 17.606 3.646 10.417 1.00 4.41 N ATOM 1138 CA ALA A 67 17.497 5.121 10.394 1.00 72.13 C ATOM 1139 C ALA A 67 18.271 5.774 9.230 1.00 30.33 C ATOM 1140 O ALA A 67 17.831 6.786 8.677 1.00 65.04 O ATOM 1141 CB ALA A 67 17.953 5.693 11.739 1.00 32.14 C ATOM 0 H ALA A 67 17.928 3.279 11.313 1.00 4.41 H new ATOM 0 HA ALA A 67 16.447 5.362 10.226 1.00 72.13 H new ATOM 0 HB1 ALA A 67 17.871 6.780 11.719 1.00 32.14 H new ATOM 0 HB2 ALA A 67 17.323 5.297 12.535 1.00 32.14 H new ATOM 0 HB3 ALA A 67 18.990 5.410 11.922 1.00 32.14 H new ATOM 1147 N ALA A 68 19.421 5.180 8.865 1.00 40.44 N ATOM 1148 CA ALA A 68 20.251 5.666 7.747 1.00 34.00 C ATOM 1149 C ALA A 68 19.558 5.426 6.390 1.00 50.25 C ATOM 1150 O ALA A 68 19.556 6.303 5.519 1.00 62.52 O ATOM 1151 CB ALA A 68 21.628 4.990 7.778 1.00 10.12 C ATOM 0 H ALA A 68 19.799 4.356 9.332 1.00 40.44 H new ATOM 0 HA ALA A 68 20.384 6.741 7.865 1.00 34.00 H new ATOM 0 HB1 ALA A 68 22.232 5.357 6.948 1.00 10.12 H new ATOM 0 HB2 ALA A 68 22.126 5.222 8.719 1.00 10.12 H new ATOM 0 HB3 ALA A 68 21.506 3.911 7.689 1.00 10.12 H new ATOM 1157 N GLU A 69 18.951 4.235 6.243 1.00 15.45 N ATOM 1158 CA GLU A 69 18.302 3.804 4.990 1.00 41.50 C ATOM 1159 C GLU A 69 16.956 4.516 4.779 1.00 15.01 C ATOM 1160 O GLU A 69 16.695 5.062 3.708 1.00 45.30 O ATOM 1161 CB GLU A 69 18.060 2.265 5.001 1.00 45.23 C ATOM 1162 CG GLU A 69 19.317 1.395 5.202 1.00 11.24 C ATOM 1163 CD GLU A 69 19.003 -0.107 5.129 1.00 21.51 C ATOM 1164 OE1 GLU A 69 18.330 -0.619 6.042 1.00 4.35 O ATOM 1165 OE2 GLU A 69 19.393 -0.779 4.145 1.00 42.31 O ATOM 0 H GLU A 69 18.896 3.543 6.990 1.00 15.45 H new ATOM 0 HA GLU A 69 18.974 4.068 4.173 1.00 41.50 H new ATOM 0 HB2 GLU A 69 17.349 2.033 5.793 1.00 45.23 H new ATOM 0 HB3 GLU A 69 17.591 1.982 4.059 1.00 45.23 H new ATOM 0 HG2 GLU A 69 20.056 1.647 4.442 1.00 11.24 H new ATOM 0 HG3 GLU A 69 19.764 1.624 6.169 1.00 11.24 H new ATOM 1172 N GLU A 70 16.141 4.530 5.843 1.00 54.54 N ATOM 1173 CA GLU A 70 14.683 4.743 5.750 1.00 23.11 C ATOM 1174 C GLU A 70 14.274 6.156 5.314 1.00 44.31 C ATOM 1175 O GLU A 70 13.152 6.346 4.847 1.00 13.21 O ATOM 1176 CB GLU A 70 14.002 4.318 7.082 1.00 41.52 C ATOM 1177 CG GLU A 70 14.458 5.036 8.383 1.00 42.23 C ATOM 1178 CD GLU A 70 13.925 6.466 8.600 1.00 61.43 C ATOM 1179 OE1 GLU A 70 12.711 6.693 8.404 1.00 22.35 O ATOM 1180 OE2 GLU A 70 14.702 7.351 9.008 1.00 63.01 O ATOM 0 H GLU A 70 16.472 4.394 6.798 1.00 54.54 H new ATOM 0 HA GLU A 70 14.324 4.104 4.943 1.00 23.11 H new ATOM 0 HB2 GLU A 70 12.928 4.469 6.974 1.00 41.52 H new ATOM 0 HB3 GLU A 70 14.162 3.248 7.215 1.00 41.52 H new ATOM 0 HG2 GLU A 70 14.155 4.426 9.234 1.00 42.23 H new ATOM 0 HG3 GLU A 70 15.547 5.073 8.389 1.00 42.23 H new ATOM 1187 N LYS A 71 15.179 7.131 5.475 1.00 45.14 N ATOM 1188 CA LYS A 71 14.966 8.505 4.975 1.00 43.30 C ATOM 1189 C LYS A 71 14.913 8.499 3.431 1.00 23.23 C ATOM 1190 O LYS A 71 14.060 9.144 2.814 1.00 34.42 O ATOM 1191 CB LYS A 71 16.106 9.430 5.474 1.00 43.13 C ATOM 1192 CG LYS A 71 16.297 9.419 7.001 1.00 33.23 C ATOM 1193 CD LYS A 71 17.428 10.344 7.489 1.00 2.44 C ATOM 1194 CE LYS A 71 17.611 10.265 9.015 1.00 74.22 C ATOM 1195 NZ LYS A 71 16.358 10.594 9.751 1.00 24.23 N ATOM 0 H LYS A 71 16.072 6.997 5.950 1.00 45.14 H new ATOM 0 HA LYS A 71 14.017 8.884 5.356 1.00 43.30 H new ATOM 0 HB2 LYS A 71 17.039 9.128 4.999 1.00 43.13 H new ATOM 0 HB3 LYS A 71 15.900 10.450 5.151 1.00 43.13 H new ATOM 0 HG2 LYS A 71 15.363 9.718 7.477 1.00 33.23 H new ATOM 0 HG3 LYS A 71 16.508 8.400 7.325 1.00 33.23 H new ATOM 0 HD2 LYS A 71 18.361 10.069 6.996 1.00 2.44 H new ATOM 0 HD3 LYS A 71 17.207 11.372 7.202 1.00 2.44 H new ATOM 0 HE2 LYS A 71 17.938 9.262 9.288 1.00 74.22 H new ATOM 0 HE3 LYS A 71 18.400 10.952 9.320 1.00 74.22 H new ATOM 0 HZ1 LYS A 71 16.567 10.694 10.765 1.00 24.23 H new ATOM 0 HZ2 LYS A 71 15.967 11.487 9.388 1.00 24.23 H new ATOM 0 HZ3 LYS A 71 15.665 9.831 9.614 1.00 24.23 H new ATOM 1209 N LYS A 72 15.835 7.722 2.837 1.00 53.14 N ATOM 1210 CA LYS A 72 15.960 7.566 1.382 1.00 14.53 C ATOM 1211 C LYS A 72 14.909 6.572 0.852 1.00 2.32 C ATOM 1212 O LYS A 72 14.302 6.808 -0.196 1.00 63.42 O ATOM 1213 CB LYS A 72 17.400 7.083 1.034 1.00 25.02 C ATOM 1214 CG LYS A 72 17.695 6.931 -0.475 1.00 61.13 C ATOM 1215 CD LYS A 72 17.586 8.266 -1.243 1.00 34.12 C ATOM 1216 CE LYS A 72 17.853 8.099 -2.745 1.00 22.35 C ATOM 1217 NZ LYS A 72 19.226 7.587 -3.024 1.00 4.02 N ATOM 0 H LYS A 72 16.521 7.180 3.362 1.00 53.14 H new ATOM 0 HA LYS A 72 15.782 8.528 0.902 1.00 14.53 H new ATOM 0 HB2 LYS A 72 18.115 7.788 1.459 1.00 25.02 H new ATOM 0 HB3 LYS A 72 17.572 6.123 1.520 1.00 25.02 H new ATOM 0 HG2 LYS A 72 18.697 6.523 -0.605 1.00 61.13 H new ATOM 0 HG3 LYS A 72 16.999 6.211 -0.906 1.00 61.13 H new ATOM 0 HD2 LYS A 72 16.590 8.685 -1.098 1.00 34.12 H new ATOM 0 HD3 LYS A 72 18.297 8.980 -0.827 1.00 34.12 H new ATOM 0 HE2 LYS A 72 17.119 7.413 -3.168 1.00 22.35 H new ATOM 0 HE3 LYS A 72 17.717 9.058 -3.244 1.00 22.35 H new ATOM 0 HZ1 LYS A 72 19.407 7.619 -4.048 1.00 4.02 H new ATOM 0 HZ2 LYS A 72 19.924 8.179 -2.530 1.00 4.02 H new ATOM 0 HZ3 LYS A 72 19.305 6.606 -2.689 1.00 4.02 H new ATOM 1231 N GLU A 73 14.692 5.475 1.603 1.00 54.40 N ATOM 1232 CA GLU A 73 13.848 4.354 1.157 1.00 25.35 C ATOM 1233 C GLU A 73 12.352 4.693 1.203 1.00 31.33 C ATOM 1234 O GLU A 73 11.604 4.207 0.364 1.00 23.12 O ATOM 1235 CB GLU A 73 14.150 3.070 1.978 1.00 22.20 C ATOM 1236 CG GLU A 73 15.590 2.530 1.815 1.00 51.32 C ATOM 1237 CD GLU A 73 16.002 2.301 0.344 1.00 75.05 C ATOM 1238 OE1 GLU A 73 15.732 1.206 -0.202 1.00 30.54 O ATOM 1239 OE2 GLU A 73 16.592 3.219 -0.274 1.00 72.13 O ATOM 0 H GLU A 73 15.095 5.343 2.531 1.00 54.40 H new ATOM 0 HA GLU A 73 14.099 4.165 0.113 1.00 25.35 H new ATOM 0 HB2 GLU A 73 13.970 3.278 3.033 1.00 22.20 H new ATOM 0 HB3 GLU A 73 13.447 2.291 1.682 1.00 22.20 H new ATOM 0 HG2 GLU A 73 16.286 3.232 2.273 1.00 51.32 H new ATOM 0 HG3 GLU A 73 15.680 1.590 2.359 1.00 51.32 H new ATOM 1246 N ALA A 74 11.924 5.522 2.179 1.00 55.21 N ATOM 1247 CA ALA A 74 10.515 5.959 2.284 1.00 24.10 C ATOM 1248 C ALA A 74 10.184 6.996 1.194 1.00 64.22 C ATOM 1249 O ALA A 74 9.070 7.009 0.660 1.00 30.13 O ATOM 1250 CB ALA A 74 10.219 6.518 3.681 1.00 1.45 C ATOM 0 H ALA A 74 12.533 5.902 2.904 1.00 55.21 H new ATOM 0 HA ALA A 74 9.877 5.089 2.129 1.00 24.10 H new ATOM 0 HB1 ALA A 74 9.177 6.833 3.734 1.00 1.45 H new ATOM 0 HB2 ALA A 74 10.403 5.746 4.428 1.00 1.45 H new ATOM 0 HB3 ALA A 74 10.866 7.373 3.875 1.00 1.45 H new ATOM 1256 N LYS A 75 11.174 7.861 0.876 1.00 40.20 N ATOM 1257 CA LYS A 75 11.063 8.849 -0.221 1.00 52.11 C ATOM 1258 C LYS A 75 10.971 8.126 -1.585 1.00 73.12 C ATOM 1259 O LYS A 75 10.199 8.523 -2.467 1.00 24.21 O ATOM 1260 CB LYS A 75 12.266 9.833 -0.195 1.00 53.21 C ATOM 1261 CG LYS A 75 12.180 10.973 -1.238 1.00 32.03 C ATOM 1262 CD LYS A 75 13.341 11.985 -1.129 1.00 11.13 C ATOM 1263 CE LYS A 75 13.258 13.087 -2.204 1.00 15.21 C ATOM 1264 NZ LYS A 75 11.989 13.869 -2.112 1.00 75.22 N ATOM 0 H LYS A 75 12.066 7.894 1.369 1.00 40.20 H new ATOM 0 HA LYS A 75 10.151 9.429 -0.077 1.00 52.11 H new ATOM 0 HB2 LYS A 75 12.340 10.272 0.800 1.00 53.21 H new ATOM 0 HB3 LYS A 75 13.184 9.270 -0.364 1.00 53.21 H new ATOM 0 HG2 LYS A 75 12.175 10.542 -2.239 1.00 32.03 H new ATOM 0 HG3 LYS A 75 11.234 11.500 -1.114 1.00 32.03 H new ATOM 0 HD2 LYS A 75 13.329 12.443 -0.140 1.00 11.13 H new ATOM 0 HD3 LYS A 75 14.290 11.458 -1.225 1.00 11.13 H new ATOM 0 HE2 LYS A 75 14.107 13.762 -2.097 1.00 15.21 H new ATOM 0 HE3 LYS A 75 13.333 12.634 -3.193 1.00 15.21 H new ATOM 0 HZ1 LYS A 75 12.034 14.681 -2.761 1.00 75.22 H new ATOM 0 HZ2 LYS A 75 11.187 13.261 -2.373 1.00 75.22 H new ATOM 0 HZ3 LYS A 75 11.862 14.211 -1.138 1.00 75.22 H new ATOM 1278 N LYS A 76 11.765 7.051 -1.725 1.00 51.13 N ATOM 1279 CA LYS A 76 11.751 6.164 -2.903 1.00 61.32 C ATOM 1280 C LYS A 76 10.412 5.402 -2.968 1.00 24.31 C ATOM 1281 O LYS A 76 9.826 5.259 -4.042 1.00 45.33 O ATOM 1282 CB LYS A 76 12.984 5.198 -2.830 1.00 44.33 C ATOM 1283 CG LYS A 76 13.131 4.137 -3.974 1.00 41.43 C ATOM 1284 CD LYS A 76 12.409 2.789 -3.700 1.00 40.31 C ATOM 1285 CE LYS A 76 12.998 2.005 -2.511 1.00 62.13 C ATOM 1286 NZ LYS A 76 14.397 1.554 -2.771 1.00 63.51 N ATOM 0 H LYS A 76 12.442 6.770 -1.016 1.00 51.13 H new ATOM 0 HA LYS A 76 11.834 6.746 -3.821 1.00 61.32 H new ATOM 0 HB2 LYS A 76 13.889 5.806 -2.814 1.00 44.33 H new ATOM 0 HB3 LYS A 76 12.941 4.666 -1.880 1.00 44.33 H new ATOM 0 HG2 LYS A 76 12.741 4.562 -4.899 1.00 41.43 H new ATOM 0 HG3 LYS A 76 14.191 3.941 -4.136 1.00 41.43 H new ATOM 0 HD2 LYS A 76 11.354 2.984 -3.509 1.00 40.31 H new ATOM 0 HD3 LYS A 76 12.462 2.169 -4.595 1.00 40.31 H new ATOM 0 HE2 LYS A 76 12.980 2.632 -1.620 1.00 62.13 H new ATOM 0 HE3 LYS A 76 12.371 1.138 -2.303 1.00 62.13 H new ATOM 0 HZ1 LYS A 76 14.752 1.031 -1.945 1.00 63.51 H new ATOM 0 HZ2 LYS A 76 14.412 0.934 -3.606 1.00 63.51 H new ATOM 0 HZ3 LYS A 76 15.002 2.382 -2.943 1.00 63.51 H new ATOM 1300 N PHE A 77 9.923 4.962 -1.788 1.00 73.33 N ATOM 1301 CA PHE A 77 8.703 4.135 -1.660 1.00 22.05 C ATOM 1302 C PHE A 77 7.444 4.978 -1.927 1.00 3.24 C ATOM 1303 O PHE A 77 6.404 4.436 -2.304 1.00 55.32 O ATOM 1304 CB PHE A 77 8.653 3.481 -0.248 1.00 22.21 C ATOM 1305 CG PHE A 77 7.574 2.411 -0.052 1.00 44.01 C ATOM 1306 CD1 PHE A 77 7.692 1.162 -0.663 1.00 33.02 C ATOM 1307 CD2 PHE A 77 6.446 2.648 0.737 1.00 14.22 C ATOM 1308 CE1 PHE A 77 6.722 0.192 -0.487 1.00 34.31 C ATOM 1309 CE2 PHE A 77 5.479 1.670 0.909 1.00 32.32 C ATOM 1310 CZ PHE A 77 5.616 0.447 0.294 1.00 35.32 C ATOM 0 H PHE A 77 10.366 5.172 -0.893 1.00 73.33 H new ATOM 0 HA PHE A 77 8.733 3.342 -2.407 1.00 22.05 H new ATOM 0 HB2 PHE A 77 9.625 3.034 -0.040 1.00 22.21 H new ATOM 0 HB3 PHE A 77 8.499 4.267 0.491 1.00 22.21 H new ATOM 0 HD1 PHE A 77 8.552 0.950 -1.281 1.00 33.02 H new ATOM 0 HD2 PHE A 77 6.326 3.607 1.220 1.00 14.22 H new ATOM 0 HE1 PHE A 77 6.832 -0.771 -0.964 1.00 34.31 H new ATOM 0 HE2 PHE A 77 4.616 1.868 1.527 1.00 32.32 H new ATOM 0 HZ PHE A 77 4.858 -0.312 0.423 1.00 35.32 H new ATOM 1320 N ALA A 78 7.564 6.304 -1.733 1.00 71.53 N ATOM 1321 CA ALA A 78 6.504 7.258 -2.069 1.00 32.44 C ATOM 1322 C ALA A 78 6.231 7.226 -3.581 1.00 44.10 C ATOM 1323 O ALA A 78 5.076 7.132 -4.010 1.00 1.53 O ATOM 1324 CB ALA A 78 6.889 8.667 -1.599 1.00 42.32 C ATOM 0 H ALA A 78 8.399 6.739 -1.339 1.00 71.53 H new ATOM 0 HA ALA A 78 5.587 6.974 -1.553 1.00 32.44 H new ATOM 0 HB1 ALA A 78 6.093 9.366 -1.855 1.00 42.32 H new ATOM 0 HB2 ALA A 78 7.035 8.663 -0.519 1.00 42.32 H new ATOM 0 HB3 ALA A 78 7.813 8.974 -2.089 1.00 42.32 H new ATOM 1330 N ALA A 79 7.325 7.250 -4.370 1.00 20.30 N ATOM 1331 CA ALA A 79 7.271 7.170 -5.838 1.00 12.03 C ATOM 1332 C ALA A 79 6.744 5.795 -6.304 1.00 23.31 C ATOM 1333 O ALA A 79 5.944 5.728 -7.237 1.00 43.12 O ATOM 1334 CB ALA A 79 8.660 7.455 -6.429 1.00 43.00 C ATOM 0 H ALA A 79 8.273 7.326 -4.002 1.00 20.30 H new ATOM 0 HA ALA A 79 6.574 7.926 -6.200 1.00 12.03 H new ATOM 0 HB1 ALA A 79 8.612 7.394 -7.516 1.00 43.00 H new ATOM 0 HB2 ALA A 79 8.982 8.454 -6.135 1.00 43.00 H new ATOM 0 HB3 ALA A 79 9.372 6.719 -6.055 1.00 43.00 H new ATOM 1340 N ILE A 80 7.198 4.717 -5.616 1.00 1.05 N ATOM 1341 CA ILE A 80 6.761 3.321 -5.866 1.00 74.03 C ATOM 1342 C ILE A 80 5.221 3.198 -5.749 1.00 13.41 C ATOM 1343 O ILE A 80 4.565 2.641 -6.634 1.00 34.43 O ATOM 1344 CB ILE A 80 7.471 2.334 -4.851 1.00 43.43 C ATOM 1345 CG1 ILE A 80 9.017 2.307 -5.067 1.00 61.41 C ATOM 1346 CG2 ILE A 80 6.896 0.900 -4.892 1.00 44.31 C ATOM 1347 CD1 ILE A 80 9.491 1.763 -6.404 1.00 4.15 C ATOM 0 H ILE A 80 7.884 4.794 -4.865 1.00 1.05 H new ATOM 0 HA ILE A 80 7.049 3.048 -6.881 1.00 74.03 H new ATOM 0 HB ILE A 80 7.262 2.731 -3.858 1.00 43.43 H new ATOM 0 HG12 ILE A 80 9.398 3.322 -4.954 1.00 61.41 H new ATOM 0 HG13 ILE A 80 9.465 1.708 -4.274 1.00 61.41 H new ATOM 0 HG21 ILE A 80 7.426 0.275 -4.173 1.00 44.31 H new ATOM 0 HG22 ILE A 80 5.836 0.926 -4.639 1.00 44.31 H new ATOM 0 HG23 ILE A 80 7.020 0.487 -5.893 1.00 44.31 H new ATOM 0 HD11 ILE A 80 10.580 1.792 -6.443 1.00 4.15 H new ATOM 0 HD12 ILE A 80 9.151 0.734 -6.519 1.00 4.15 H new ATOM 0 HD13 ILE A 80 9.083 2.373 -7.210 1.00 4.15 H new ATOM 1359 N LEU A 81 4.670 3.771 -4.663 1.00 71.10 N ATOM 1360 CA LEU A 81 3.225 3.756 -4.370 1.00 44.15 C ATOM 1361 C LEU A 81 2.425 4.588 -5.394 1.00 33.23 C ATOM 1362 O LEU A 81 1.346 4.172 -5.817 1.00 43.35 O ATOM 1363 CB LEU A 81 2.970 4.280 -2.931 1.00 2.12 C ATOM 1364 CG LEU A 81 3.286 3.287 -1.772 1.00 0.02 C ATOM 1365 CD1 LEU A 81 3.133 3.973 -0.408 1.00 11.42 C ATOM 1366 CD2 LEU A 81 2.396 2.030 -1.849 1.00 72.24 C ATOM 0 H LEU A 81 5.220 4.262 -3.958 1.00 71.10 H new ATOM 0 HA LEU A 81 2.879 2.725 -4.445 1.00 44.15 H new ATOM 0 HB2 LEU A 81 3.567 5.180 -2.783 1.00 2.12 H new ATOM 0 HB3 LEU A 81 1.923 4.575 -2.854 1.00 2.12 H new ATOM 0 HG LEU A 81 4.323 2.970 -1.884 1.00 0.02 H new ATOM 0 HD11 LEU A 81 3.359 3.260 0.385 1.00 11.42 H new ATOM 0 HD12 LEU A 81 3.822 4.816 -0.345 1.00 11.42 H new ATOM 0 HD13 LEU A 81 2.110 4.331 -0.294 1.00 11.42 H new ATOM 0 HD21 LEU A 81 2.642 1.359 -1.026 1.00 72.24 H new ATOM 0 HD22 LEU A 81 1.348 2.321 -1.778 1.00 72.24 H new ATOM 0 HD23 LEU A 81 2.568 1.520 -2.797 1.00 72.24 H new ATOM 1378 N ASN A 82 2.984 5.751 -5.788 1.00 43.21 N ATOM 1379 CA ASN A 82 2.332 6.687 -6.738 1.00 61.22 C ATOM 1380 C ASN A 82 2.072 6.017 -8.098 1.00 55.13 C ATOM 1381 O ASN A 82 1.082 6.330 -8.770 1.00 32.10 O ATOM 1382 CB ASN A 82 3.186 7.972 -6.918 1.00 64.40 C ATOM 1383 CG ASN A 82 3.123 8.909 -5.708 1.00 32.42 C ATOM 1384 OD1 ASN A 82 2.098 9.004 -5.029 1.00 53.24 O ATOM 1385 ND2 ASN A 82 4.217 9.599 -5.423 1.00 32.51 N ATOM 0 H ASN A 82 3.896 6.070 -5.460 1.00 43.21 H new ATOM 0 HA ASN A 82 1.368 6.968 -6.315 1.00 61.22 H new ATOM 0 HB2 ASN A 82 4.223 7.690 -7.098 1.00 64.40 H new ATOM 0 HB3 ASN A 82 2.843 8.508 -7.803 1.00 64.40 H new ATOM 0 HD21 ASN A 82 4.227 10.231 -4.622 1.00 32.51 H new ATOM 0 HD22 ASN A 82 5.049 9.498 -6.004 1.00 32.51 H new ATOM 1392 N LYS A 83 2.977 5.101 -8.485 1.00 52.23 N ATOM 1393 CA LYS A 83 2.819 4.270 -9.691 1.00 3.41 C ATOM 1394 C LYS A 83 1.643 3.286 -9.525 1.00 24.43 C ATOM 1395 O LYS A 83 0.753 3.231 -10.370 1.00 52.45 O ATOM 1396 CB LYS A 83 4.128 3.485 -9.996 1.00 4.45 C ATOM 1397 CG LYS A 83 5.407 4.347 -10.082 1.00 52.11 C ATOM 1398 CD LYS A 83 5.306 5.509 -11.098 1.00 12.45 C ATOM 1399 CE LYS A 83 6.571 6.389 -11.109 1.00 74.33 C ATOM 1400 NZ LYS A 83 7.789 5.620 -11.485 1.00 34.15 N ATOM 0 H LYS A 83 3.838 4.916 -7.971 1.00 52.23 H new ATOM 0 HA LYS A 83 2.606 4.933 -10.529 1.00 3.41 H new ATOM 0 HB2 LYS A 83 4.269 2.731 -9.222 1.00 4.45 H new ATOM 0 HB3 LYS A 83 4.003 2.954 -10.940 1.00 4.45 H new ATOM 0 HG2 LYS A 83 5.626 4.756 -9.096 1.00 52.11 H new ATOM 0 HG3 LYS A 83 6.247 3.709 -10.356 1.00 52.11 H new ATOM 0 HD2 LYS A 83 5.140 5.103 -12.096 1.00 12.45 H new ATOM 0 HD3 LYS A 83 4.440 6.125 -10.857 1.00 12.45 H new ATOM 0 HE2 LYS A 83 6.433 7.212 -11.810 1.00 74.33 H new ATOM 0 HE3 LYS A 83 6.713 6.831 -10.123 1.00 74.33 H new ATOM 0 HZ1 LYS A 83 8.591 6.272 -11.595 1.00 34.15 H new ATOM 0 HZ2 LYS A 83 8.006 4.927 -10.740 1.00 34.15 H new ATOM 0 HZ3 LYS A 83 7.622 5.123 -12.383 1.00 34.15 H new ATOM 1414 N VAL A 84 1.636 2.571 -8.385 1.00 11.31 N ATOM 1415 CA VAL A 84 0.710 1.452 -8.118 1.00 11.22 C ATOM 1416 C VAL A 84 -0.753 1.936 -8.042 1.00 23.52 C ATOM 1417 O VAL A 84 -1.630 1.376 -8.702 1.00 25.12 O ATOM 1418 CB VAL A 84 1.128 0.716 -6.787 1.00 54.14 C ATOM 1419 CG1 VAL A 84 0.105 -0.362 -6.359 1.00 61.31 C ATOM 1420 CG2 VAL A 84 2.543 0.107 -6.934 1.00 60.31 C ATOM 0 H VAL A 84 2.279 2.755 -7.615 1.00 11.31 H new ATOM 0 HA VAL A 84 0.775 0.748 -8.947 1.00 11.22 H new ATOM 0 HB VAL A 84 1.142 1.464 -5.994 1.00 54.14 H new ATOM 0 HG11 VAL A 84 0.441 -0.837 -5.438 1.00 61.31 H new ATOM 0 HG12 VAL A 84 -0.866 0.104 -6.193 1.00 61.31 H new ATOM 0 HG13 VAL A 84 0.018 -1.113 -7.144 1.00 61.31 H new ATOM 0 HG21 VAL A 84 2.820 -0.398 -6.009 1.00 60.31 H new ATOM 0 HG22 VAL A 84 2.547 -0.611 -7.754 1.00 60.31 H new ATOM 0 HG23 VAL A 84 3.261 0.900 -7.143 1.00 60.31 H new ATOM 1430 N PHE A 85 -0.982 2.998 -7.251 1.00 65.34 N ATOM 1431 CA PHE A 85 -2.319 3.602 -7.080 1.00 21.21 C ATOM 1432 C PHE A 85 -2.848 4.179 -8.409 1.00 15.13 C ATOM 1433 O PHE A 85 -4.048 4.110 -8.681 1.00 43.22 O ATOM 1434 CB PHE A 85 -2.301 4.686 -5.970 1.00 0.11 C ATOM 1435 CG PHE A 85 -1.908 4.151 -4.589 1.00 51.41 C ATOM 1436 CD1 PHE A 85 -2.496 2.991 -4.076 1.00 42.35 C ATOM 1437 CD2 PHE A 85 -0.956 4.803 -3.808 1.00 2.23 C ATOM 1438 CE1 PHE A 85 -2.138 2.505 -2.834 1.00 2.14 C ATOM 1439 CE2 PHE A 85 -0.602 4.313 -2.568 1.00 21.04 C ATOM 1440 CZ PHE A 85 -1.190 3.165 -2.083 1.00 62.23 C ATOM 0 H PHE A 85 -0.250 3.462 -6.713 1.00 65.34 H new ATOM 0 HA PHE A 85 -3.002 2.812 -6.768 1.00 21.21 H new ATOM 0 HB2 PHE A 85 -1.604 5.474 -6.256 1.00 0.11 H new ATOM 0 HB3 PHE A 85 -3.289 5.142 -5.905 1.00 0.11 H new ATOM 0 HD1 PHE A 85 -3.240 2.468 -4.659 1.00 42.35 H new ATOM 0 HD2 PHE A 85 -0.489 5.704 -4.178 1.00 2.23 H new ATOM 0 HE1 PHE A 85 -2.601 1.608 -2.451 1.00 2.14 H new ATOM 0 HE2 PHE A 85 0.138 4.831 -1.976 1.00 21.04 H new ATOM 0 HZ PHE A 85 -0.908 2.782 -1.113 1.00 62.23 H new ATOM 1450 N ALA A 86 -1.926 4.698 -9.244 1.00 53.25 N ATOM 1451 CA ALA A 86 -2.253 5.206 -10.590 1.00 73.20 C ATOM 1452 C ALA A 86 -2.675 4.060 -11.538 1.00 23.43 C ATOM 1453 O ALA A 86 -3.472 4.270 -12.461 1.00 42.11 O ATOM 1454 CB ALA A 86 -1.059 5.970 -11.176 1.00 13.42 C ATOM 0 H ALA A 86 -0.937 4.776 -9.005 1.00 53.25 H new ATOM 0 HA ALA A 86 -3.098 5.888 -10.494 1.00 73.20 H new ATOM 0 HB1 ALA A 86 -1.315 6.339 -12.169 1.00 13.42 H new ATOM 0 HB2 ALA A 86 -0.812 6.812 -10.529 1.00 13.42 H new ATOM 0 HB3 ALA A 86 -0.200 5.303 -11.247 1.00 13.42 H new ATOM 1460 N GLU A 87 -2.123 2.857 -11.296 1.00 75.41 N ATOM 1461 CA GLU A 87 -2.410 1.643 -12.090 1.00 42.25 C ATOM 1462 C GLU A 87 -3.676 0.909 -11.585 1.00 2.14 C ATOM 1463 O GLU A 87 -4.205 0.035 -12.284 1.00 3.02 O ATOM 1464 CB GLU A 87 -1.176 0.691 -12.054 1.00 72.42 C ATOM 1465 CG GLU A 87 0.071 1.252 -12.771 1.00 33.55 C ATOM 1466 CD GLU A 87 1.326 0.378 -12.604 1.00 30.34 C ATOM 1467 OE1 GLU A 87 1.404 -0.688 -13.254 1.00 70.33 O ATOM 1468 OE2 GLU A 87 2.249 0.755 -11.847 1.00 51.32 O ATOM 0 H GLU A 87 -1.459 2.696 -10.538 1.00 75.41 H new ATOM 0 HA GLU A 87 -2.605 1.949 -13.118 1.00 42.25 H new ATOM 0 HB2 GLU A 87 -0.922 0.482 -11.015 1.00 72.42 H new ATOM 0 HB3 GLU A 87 -1.450 -0.259 -12.513 1.00 72.42 H new ATOM 0 HG2 GLU A 87 -0.149 1.358 -13.833 1.00 33.55 H new ATOM 0 HG3 GLU A 87 0.281 2.251 -12.388 1.00 33.55 H new ATOM 1475 N LEU A 88 -4.165 1.272 -10.381 1.00 24.21 N ATOM 1476 CA LEU A 88 -5.316 0.590 -9.737 1.00 33.04 C ATOM 1477 C LEU A 88 -6.586 1.475 -9.768 1.00 64.02 C ATOM 1478 O LEU A 88 -7.695 0.973 -9.552 1.00 3.24 O ATOM 1479 CB LEU A 88 -4.965 0.177 -8.281 1.00 4.31 C ATOM 1480 CG LEU A 88 -3.846 -0.904 -8.110 1.00 64.30 C ATOM 1481 CD1 LEU A 88 -3.561 -1.166 -6.620 1.00 42.11 C ATOM 1482 CD2 LEU A 88 -4.200 -2.218 -8.844 1.00 41.41 C ATOM 0 H LEU A 88 -3.780 2.038 -9.829 1.00 24.21 H new ATOM 0 HA LEU A 88 -5.530 -0.314 -10.308 1.00 33.04 H new ATOM 0 HB2 LEU A 88 -4.661 1.071 -7.737 1.00 4.31 H new ATOM 0 HB3 LEU A 88 -5.872 -0.193 -7.804 1.00 4.31 H new ATOM 0 HG LEU A 88 -2.939 -0.510 -8.569 1.00 64.30 H new ATOM 0 HD11 LEU A 88 -2.780 -1.921 -6.526 1.00 42.11 H new ATOM 0 HD12 LEU A 88 -3.232 -0.242 -6.145 1.00 42.11 H new ATOM 0 HD13 LEU A 88 -4.469 -1.521 -6.133 1.00 42.11 H new ATOM 0 HD21 LEU A 88 -3.398 -2.942 -8.701 1.00 41.41 H new ATOM 0 HD22 LEU A 88 -5.129 -2.621 -8.441 1.00 41.41 H new ATOM 0 HD23 LEU A 88 -4.323 -2.018 -9.909 1.00 41.41 H new ATOM 1494 N GLY A 89 -6.417 2.783 -10.034 1.00 63.30 N ATOM 1495 CA GLY A 89 -7.550 3.711 -10.159 1.00 54.20 C ATOM 1496 C GLY A 89 -7.830 4.499 -8.884 1.00 33.14 C ATOM 1497 O GLY A 89 -8.973 4.567 -8.419 1.00 4.43 O ATOM 0 H GLY A 89 -5.505 3.219 -10.166 1.00 63.30 H new ATOM 0 HA2 GLY A 89 -7.351 4.409 -10.972 1.00 54.20 H new ATOM 0 HA3 GLY A 89 -8.442 3.148 -10.433 1.00 54.20 H new ATOM 1501 N TYR A 90 -6.769 5.094 -8.316 1.00 71.02 N ATOM 1502 CA TYR A 90 -6.853 5.995 -7.149 1.00 71.43 C ATOM 1503 C TYR A 90 -6.153 7.309 -7.517 1.00 15.51 C ATOM 1504 O TYR A 90 -5.056 7.284 -8.088 1.00 43.14 O ATOM 1505 CB TYR A 90 -6.182 5.363 -5.896 1.00 55.24 C ATOM 1506 CG TYR A 90 -6.694 3.957 -5.548 1.00 54.34 C ATOM 1507 CD1 TYR A 90 -8.036 3.740 -5.222 1.00 11.33 C ATOM 1508 CD2 TYR A 90 -5.844 2.848 -5.577 1.00 75.24 C ATOM 1509 CE1 TYR A 90 -8.504 2.473 -4.934 1.00 3.21 C ATOM 1510 CE2 TYR A 90 -6.310 1.583 -5.294 1.00 62.23 C ATOM 1511 CZ TYR A 90 -7.635 1.400 -4.975 1.00 41.11 C ATOM 1512 OH TYR A 90 -8.098 0.133 -4.718 1.00 5.10 O ATOM 0 H TYR A 90 -5.816 4.963 -8.656 1.00 71.02 H new ATOM 0 HA TYR A 90 -7.899 6.172 -6.900 1.00 71.43 H new ATOM 0 HB2 TYR A 90 -5.105 5.315 -6.060 1.00 55.24 H new ATOM 0 HB3 TYR A 90 -6.345 6.019 -5.041 1.00 55.24 H new ATOM 0 HD1 TYR A 90 -8.718 4.577 -5.195 1.00 11.33 H new ATOM 0 HD2 TYR A 90 -4.802 2.985 -5.826 1.00 75.24 H new ATOM 0 HE1 TYR A 90 -9.542 2.322 -4.678 1.00 3.21 H new ATOM 0 HE2 TYR A 90 -5.637 0.738 -5.323 1.00 62.23 H new ATOM 0 HH TYR A 90 -8.066 -0.038 -3.753 1.00 5.10 H new ATOM 1522 N ASN A 91 -6.792 8.441 -7.189 1.00 2.43 N ATOM 1523 CA ASN A 91 -6.315 9.785 -7.580 1.00 73.25 C ATOM 1524 C ASN A 91 -5.153 10.256 -6.683 1.00 62.42 C ATOM 1525 O ASN A 91 -4.987 9.763 -5.563 1.00 12.04 O ATOM 1526 CB ASN A 91 -7.492 10.788 -7.513 1.00 60.42 C ATOM 1527 CG ASN A 91 -8.672 10.356 -8.385 1.00 73.54 C ATOM 1528 OD1 ASN A 91 -9.548 9.615 -7.939 1.00 32.33 O ATOM 1529 ND2 ASN A 91 -8.704 10.805 -9.623 1.00 30.22 N ATOM 0 H ASN A 91 -7.655 8.456 -6.645 1.00 2.43 H new ATOM 0 HA ASN A 91 -5.937 9.734 -8.601 1.00 73.25 H new ATOM 0 HB2 ASN A 91 -7.824 10.887 -6.479 1.00 60.42 H new ATOM 0 HB3 ASN A 91 -7.147 11.771 -7.833 1.00 60.42 H new ATOM 0 HD21 ASN A 91 -9.470 10.540 -10.242 1.00 30.22 H new ATOM 0 HD22 ASN A 91 -7.963 11.418 -9.963 1.00 30.22 H new ATOM 1536 N ASP A 92 -4.368 11.228 -7.187 1.00 52.24 N ATOM 1537 CA ASP A 92 -3.153 11.742 -6.511 1.00 72.15 C ATOM 1538 C ASP A 92 -3.477 12.398 -5.145 1.00 23.53 C ATOM 1539 O ASP A 92 -2.787 12.153 -4.150 1.00 63.22 O ATOM 1540 CB ASP A 92 -2.435 12.773 -7.427 1.00 20.01 C ATOM 1541 CG ASP A 92 -2.041 12.225 -8.813 1.00 3.35 C ATOM 1542 OD1 ASP A 92 -0.997 11.547 -8.930 1.00 24.01 O ATOM 1543 OD2 ASP A 92 -2.771 12.482 -9.799 1.00 21.33 O ATOM 0 H ASP A 92 -4.557 11.684 -8.080 1.00 52.24 H new ATOM 0 HA ASP A 92 -2.500 10.890 -6.322 1.00 72.15 H new ATOM 0 HB2 ASP A 92 -3.086 13.636 -7.563 1.00 20.01 H new ATOM 0 HB3 ASP A 92 -1.537 13.128 -6.921 1.00 20.01 H new ATOM 1548 N SER A 93 -4.525 13.250 -5.135 1.00 13.31 N ATOM 1549 CA SER A 93 -5.032 13.928 -3.918 1.00 41.53 C ATOM 1550 C SER A 93 -5.461 12.925 -2.830 1.00 2.11 C ATOM 1551 O SER A 93 -5.291 13.181 -1.634 1.00 74.23 O ATOM 1552 CB SER A 93 -6.226 14.826 -4.294 1.00 23.04 C ATOM 1553 OG SER A 93 -7.255 14.075 -4.934 1.00 3.04 O ATOM 0 H SER A 93 -5.048 13.490 -5.977 1.00 13.31 H new ATOM 0 HA SER A 93 -4.219 14.528 -3.508 1.00 41.53 H new ATOM 0 HB2 SER A 93 -6.623 15.301 -3.397 1.00 23.04 H new ATOM 0 HB3 SER A 93 -5.890 15.624 -4.956 1.00 23.04 H new ATOM 0 HG SER A 93 -8.001 14.669 -5.160 1.00 3.04 H new ATOM 1559 N ASN A 94 -6.009 11.782 -3.282 1.00 24.32 N ATOM 1560 CA ASN A 94 -6.500 10.707 -2.397 1.00 25.43 C ATOM 1561 C ASN A 94 -5.339 10.072 -1.605 1.00 24.21 C ATOM 1562 O ASN A 94 -5.545 9.538 -0.520 1.00 13.22 O ATOM 1563 CB ASN A 94 -7.232 9.626 -3.235 1.00 22.54 C ATOM 1564 CG ASN A 94 -8.483 10.137 -3.969 1.00 42.42 C ATOM 1565 OD1 ASN A 94 -8.579 11.309 -4.340 1.00 11.42 O ATOM 1566 ND2 ASN A 94 -9.444 9.255 -4.207 1.00 53.44 N ATOM 0 H ASN A 94 -6.125 11.576 -4.274 1.00 24.32 H new ATOM 0 HA ASN A 94 -7.200 11.141 -1.683 1.00 25.43 H new ATOM 0 HB2 ASN A 94 -6.536 9.218 -3.968 1.00 22.54 H new ATOM 0 HB3 ASN A 94 -7.520 8.806 -2.577 1.00 22.54 H new ATOM 0 HD21 ASN A 94 -10.286 9.541 -4.707 1.00 53.44 H new ATOM 0 HD22 ASN A 94 -9.341 8.291 -3.890 1.00 53.44 H new ATOM 1573 N VAL A 95 -4.123 10.159 -2.172 1.00 62.14 N ATOM 1574 CA VAL A 95 -2.884 9.654 -1.560 1.00 12.32 C ATOM 1575 C VAL A 95 -2.230 10.792 -0.740 1.00 55.02 C ATOM 1576 O VAL A 95 -1.859 11.820 -1.309 1.00 32.42 O ATOM 1577 CB VAL A 95 -1.892 9.157 -2.682 1.00 34.53 C ATOM 1578 CG1 VAL A 95 -0.607 8.531 -2.091 1.00 63.24 C ATOM 1579 CG2 VAL A 95 -2.596 8.177 -3.651 1.00 42.23 C ATOM 0 H VAL A 95 -3.972 10.590 -3.084 1.00 62.14 H new ATOM 0 HA VAL A 95 -3.114 8.815 -0.904 1.00 12.32 H new ATOM 0 HB VAL A 95 -1.585 10.036 -3.249 1.00 34.53 H new ATOM 0 HG11 VAL A 95 0.044 8.204 -2.901 1.00 63.24 H new ATOM 0 HG12 VAL A 95 -0.087 9.272 -1.484 1.00 63.24 H new ATOM 0 HG13 VAL A 95 -0.872 7.675 -1.470 1.00 63.24 H new ATOM 0 HG21 VAL A 95 -1.890 7.850 -4.414 1.00 42.23 H new ATOM 0 HG22 VAL A 95 -2.956 7.311 -3.095 1.00 42.23 H new ATOM 0 HG23 VAL A 95 -3.439 8.679 -4.127 1.00 42.23 H new ATOM 1589 N THR A 96 -2.152 10.637 0.596 1.00 54.22 N ATOM 1590 CA THR A 96 -1.519 11.639 1.487 1.00 64.33 C ATOM 1591 C THR A 96 -0.791 10.937 2.655 1.00 72.02 C ATOM 1592 O THR A 96 -1.382 10.099 3.330 1.00 51.45 O ATOM 1593 CB THR A 96 -2.594 12.628 2.063 1.00 42.21 C ATOM 1594 OG1 THR A 96 -3.363 13.212 0.991 1.00 74.51 O ATOM 1595 CG2 THR A 96 -1.959 13.752 2.905 1.00 44.32 C ATOM 0 H THR A 96 -2.521 9.823 1.088 1.00 54.22 H new ATOM 0 HA THR A 96 -0.796 12.204 0.898 1.00 64.33 H new ATOM 0 HB THR A 96 -3.245 12.045 2.714 1.00 42.21 H new ATOM 0 HG1 THR A 96 -4.030 13.825 1.364 1.00 74.51 H new ATOM 0 HG21 THR A 96 -2.741 14.411 3.282 1.00 44.32 H new ATOM 0 HG22 THR A 96 -1.416 13.316 3.744 1.00 44.32 H new ATOM 0 HG23 THR A 96 -1.269 14.325 2.286 1.00 44.32 H new ATOM 1603 N TRP A 97 0.481 11.300 2.887 1.00 12.23 N ATOM 1604 CA TRP A 97 1.294 10.753 3.992 1.00 52.22 C ATOM 1605 C TRP A 97 1.055 11.556 5.288 1.00 24.23 C ATOM 1606 O TRP A 97 0.991 12.792 5.251 1.00 44.13 O ATOM 1607 CB TRP A 97 2.798 10.781 3.625 1.00 21.42 C ATOM 1608 CG TRP A 97 3.183 9.845 2.494 1.00 42.23 C ATOM 1609 CD1 TRP A 97 2.960 10.032 1.155 1.00 44.23 C ATOM 1610 CD2 TRP A 97 3.862 8.581 2.614 1.00 52.42 C ATOM 1611 NE1 TRP A 97 3.455 8.968 0.443 1.00 40.40 N ATOM 1612 CE2 TRP A 97 4.013 8.066 1.314 1.00 61.32 C ATOM 1613 CE3 TRP A 97 4.351 7.834 3.695 1.00 2.32 C ATOM 1614 CZ2 TRP A 97 4.637 6.847 1.067 1.00 72.52 C ATOM 1615 CZ3 TRP A 97 4.971 6.623 3.447 1.00 21.14 C ATOM 1616 CH2 TRP A 97 5.110 6.138 2.141 1.00 51.24 C ATOM 0 H TRP A 97 0.978 11.982 2.314 1.00 12.23 H new ATOM 0 HA TRP A 97 0.991 9.719 4.157 1.00 52.22 H new ATOM 0 HB2 TRP A 97 3.073 11.799 3.348 1.00 21.42 H new ATOM 0 HB3 TRP A 97 3.381 10.522 4.509 1.00 21.42 H new ATOM 0 HD1 TRP A 97 2.467 10.891 0.723 1.00 44.23 H new ATOM 0 HE1 TRP A 97 3.415 8.864 -0.571 1.00 40.40 H new ATOM 0 HE3 TRP A 97 4.245 8.199 4.706 1.00 2.32 H new ATOM 0 HZ2 TRP A 97 4.745 6.471 0.060 1.00 72.52 H new ATOM 0 HZ3 TRP A 97 5.354 6.043 4.273 1.00 21.14 H new ATOM 0 HH2 TRP A 97 5.598 5.189 1.977 1.00 51.24 H new ATOM 1627 N ASP A 98 0.939 10.830 6.413 1.00 4.14 N ATOM 1628 CA ASP A 98 0.719 11.400 7.756 1.00 55.25 C ATOM 1629 C ASP A 98 0.910 10.298 8.812 1.00 33.00 C ATOM 1630 O ASP A 98 0.243 9.257 8.748 1.00 54.33 O ATOM 1631 CB ASP A 98 -0.701 12.023 7.876 1.00 63.20 C ATOM 1632 CG ASP A 98 -1.001 12.601 9.274 1.00 72.00 C ATOM 1633 OD1 ASP A 98 -0.328 13.572 9.686 1.00 55.14 O ATOM 1634 OD2 ASP A 98 -1.908 12.092 9.966 1.00 1.33 O ATOM 0 H ASP A 98 0.996 9.812 6.416 1.00 4.14 H new ATOM 0 HA ASP A 98 1.444 12.196 7.922 1.00 55.25 H new ATOM 0 HB2 ASP A 98 -0.806 12.814 7.134 1.00 63.20 H new ATOM 0 HB3 ASP A 98 -1.445 11.262 7.638 1.00 63.20 H new ATOM 1639 N GLY A 99 1.830 10.544 9.767 1.00 3.31 N ATOM 1640 CA GLY A 99 2.101 9.628 10.876 1.00 55.54 C ATOM 1641 C GLY A 99 2.788 8.344 10.438 1.00 55.45 C ATOM 1642 O GLY A 99 2.317 7.244 10.754 1.00 23.51 O ATOM 0 H GLY A 99 2.403 11.387 9.784 1.00 3.31 H new ATOM 0 HA2 GLY A 99 2.726 10.134 11.612 1.00 55.54 H new ATOM 0 HA3 GLY A 99 1.162 9.380 11.371 1.00 55.54 H new ATOM 1646 N ASP A 100 3.907 8.507 9.687 1.00 64.42 N ATOM 1647 CA ASP A 100 4.728 7.418 9.064 1.00 71.51 C ATOM 1648 C ASP A 100 3.881 6.350 8.324 1.00 11.22 C ATOM 1649 O ASP A 100 4.312 5.212 8.111 1.00 64.33 O ATOM 1650 CB ASP A 100 5.757 6.796 10.073 1.00 12.00 C ATOM 1651 CG ASP A 100 5.185 5.907 11.199 1.00 62.51 C ATOM 1652 OD1 ASP A 100 4.739 6.452 12.233 1.00 3.33 O ATOM 1653 OD2 ASP A 100 5.231 4.653 11.091 1.00 70.11 O ATOM 0 H ASP A 100 4.283 9.434 9.487 1.00 64.42 H new ATOM 0 HA ASP A 100 5.317 7.900 8.283 1.00 71.51 H new ATOM 0 HB2 ASP A 100 6.473 6.203 9.504 1.00 12.00 H new ATOM 0 HB3 ASP A 100 6.314 7.611 10.535 1.00 12.00 H new ATOM 1658 N THR A 101 2.696 6.786 7.872 1.00 1.55 N ATOM 1659 CA THR A 101 1.691 5.960 7.194 1.00 60.13 C ATOM 1660 C THR A 101 1.171 6.747 5.984 1.00 51.45 C ATOM 1661 O THR A 101 1.115 7.971 6.038 1.00 54.33 O ATOM 1662 CB THR A 101 0.505 5.655 8.177 1.00 72.23 C ATOM 1663 OG1 THR A 101 1.013 5.053 9.380 1.00 30.01 O ATOM 1664 CG2 THR A 101 -0.563 4.729 7.567 1.00 72.04 C ATOM 0 H THR A 101 2.403 7.758 7.973 1.00 1.55 H new ATOM 0 HA THR A 101 2.129 5.015 6.873 1.00 60.13 H new ATOM 0 HB THR A 101 0.025 6.610 8.392 1.00 72.23 H new ATOM 0 HG1 THR A 101 1.478 5.731 9.914 1.00 30.01 H new ATOM 0 HG21 THR A 101 -1.355 4.557 8.296 1.00 72.04 H new ATOM 0 HG22 THR A 101 -0.984 5.196 6.677 1.00 72.04 H new ATOM 0 HG23 THR A 101 -0.107 3.777 7.295 1.00 72.04 H new ATOM 1672 N VAL A 102 0.793 6.065 4.898 1.00 42.20 N ATOM 1673 CA VAL A 102 0.120 6.720 3.766 1.00 64.41 C ATOM 1674 C VAL A 102 -1.384 6.387 3.825 1.00 31.50 C ATOM 1675 O VAL A 102 -1.779 5.221 3.856 1.00 50.53 O ATOM 1676 CB VAL A 102 0.747 6.336 2.368 1.00 34.54 C ATOM 1677 CG1 VAL A 102 0.623 4.835 2.040 1.00 33.40 C ATOM 1678 CG2 VAL A 102 0.154 7.213 1.243 1.00 64.12 C ATOM 0 H VAL A 102 0.940 5.063 4.777 1.00 42.20 H new ATOM 0 HA VAL A 102 0.264 7.797 3.858 1.00 64.41 H new ATOM 0 HB VAL A 102 1.816 6.538 2.437 1.00 34.54 H new ATOM 0 HG11 VAL A 102 1.073 4.637 1.067 1.00 33.40 H new ATOM 0 HG12 VAL A 102 1.138 4.252 2.803 1.00 33.40 H new ATOM 0 HG13 VAL A 102 -0.430 4.553 2.017 1.00 33.40 H new ATOM 0 HG21 VAL A 102 0.600 6.932 0.289 1.00 64.12 H new ATOM 0 HG22 VAL A 102 -0.925 7.065 1.197 1.00 64.12 H new ATOM 0 HG23 VAL A 102 0.368 8.262 1.448 1.00 64.12 H new ATOM 1688 N THR A 103 -2.209 7.427 3.904 1.00 2.00 N ATOM 1689 CA THR A 103 -3.663 7.312 3.941 1.00 14.33 C ATOM 1690 C THR A 103 -4.182 7.549 2.516 1.00 1.22 C ATOM 1691 O THR A 103 -4.046 8.654 1.980 1.00 13.12 O ATOM 1692 CB THR A 103 -4.272 8.361 4.931 1.00 5.31 C ATOM 1693 OG1 THR A 103 -3.595 8.265 6.201 1.00 15.33 O ATOM 1694 CG2 THR A 103 -5.790 8.163 5.140 1.00 33.05 C ATOM 0 H THR A 103 -1.879 8.391 3.945 1.00 2.00 H new ATOM 0 HA THR A 103 -3.958 6.323 4.293 1.00 14.33 H new ATOM 0 HB THR A 103 -4.130 9.349 4.493 1.00 5.31 H new ATOM 0 HG1 THR A 103 -3.972 8.921 6.823 1.00 15.33 H new ATOM 0 HG21 THR A 103 -6.163 8.916 5.835 1.00 33.05 H new ATOM 0 HG22 THR A 103 -6.305 8.264 4.185 1.00 33.05 H new ATOM 0 HG23 THR A 103 -5.975 7.169 5.548 1.00 33.05 H new ATOM 1702 N VAL A 104 -4.710 6.491 1.893 1.00 71.15 N ATOM 1703 CA VAL A 104 -5.234 6.531 0.520 1.00 14.32 C ATOM 1704 C VAL A 104 -6.711 6.165 0.555 1.00 72.00 C ATOM 1705 O VAL A 104 -7.071 5.126 1.087 1.00 20.12 O ATOM 1706 CB VAL A 104 -4.468 5.537 -0.423 1.00 12.12 C ATOM 1707 CG1 VAL A 104 -4.985 5.614 -1.884 1.00 72.31 C ATOM 1708 CG2 VAL A 104 -2.951 5.791 -0.356 1.00 51.30 C ATOM 0 H VAL A 104 -4.787 5.573 2.330 1.00 71.15 H new ATOM 0 HA VAL A 104 -5.093 7.536 0.123 1.00 14.32 H new ATOM 0 HB VAL A 104 -4.664 4.525 -0.068 1.00 12.12 H new ATOM 0 HG11 VAL A 104 -4.429 4.911 -2.504 1.00 72.31 H new ATOM 0 HG12 VAL A 104 -6.045 5.360 -1.909 1.00 72.31 H new ATOM 0 HG13 VAL A 104 -4.845 6.625 -2.267 1.00 72.31 H new ATOM 0 HG21 VAL A 104 -2.436 5.093 -1.016 1.00 51.30 H new ATOM 0 HG22 VAL A 104 -2.739 6.813 -0.671 1.00 51.30 H new ATOM 0 HG23 VAL A 104 -2.603 5.648 0.667 1.00 51.30 H new ATOM 1718 N GLU A 105 -7.563 7.024 0.012 1.00 73.14 N ATOM 1719 CA GLU A 105 -8.999 6.734 -0.124 1.00 45.03 C ATOM 1720 C GLU A 105 -9.334 6.476 -1.599 1.00 21.04 C ATOM 1721 O GLU A 105 -8.619 6.925 -2.498 1.00 4.30 O ATOM 1722 CB GLU A 105 -9.848 7.892 0.465 1.00 55.14 C ATOM 1723 CG GLU A 105 -9.579 9.281 -0.148 1.00 14.24 C ATOM 1724 CD GLU A 105 -10.404 10.399 0.503 1.00 31.02 C ATOM 1725 OE1 GLU A 105 -11.602 10.523 0.189 1.00 20.13 O ATOM 1726 OE2 GLU A 105 -9.859 11.164 1.327 1.00 64.32 O ATOM 0 H GLU A 105 -7.289 7.938 -0.347 1.00 73.14 H new ATOM 0 HA GLU A 105 -9.243 5.836 0.443 1.00 45.03 H new ATOM 0 HB2 GLU A 105 -10.903 7.652 0.332 1.00 55.14 H new ATOM 0 HB3 GLU A 105 -9.666 7.945 1.538 1.00 55.14 H new ATOM 0 HG2 GLU A 105 -8.519 9.516 -0.049 1.00 14.24 H new ATOM 0 HG3 GLU A 105 -9.800 9.249 -1.215 1.00 14.24 H new ATOM 1733 N GLY A 106 -10.392 5.704 -1.838 1.00 12.24 N ATOM 1734 CA GLY A 106 -10.906 5.490 -3.189 1.00 14.40 C ATOM 1735 C GLY A 106 -12.402 5.283 -3.163 1.00 73.54 C ATOM 1736 O GLY A 106 -12.904 4.568 -2.286 1.00 70.51 O ATOM 0 H GLY A 106 -10.912 5.214 -1.110 1.00 12.24 H new ATOM 0 HA2 GLY A 106 -10.663 6.348 -3.816 1.00 14.40 H new ATOM 0 HA3 GLY A 106 -10.421 4.622 -3.635 1.00 14.40 H new ATOM 1740 N GLN A 107 -13.119 5.915 -4.111 1.00 72.31 N ATOM 1741 CA GLN A 107 -14.578 5.791 -4.222 1.00 3.22 C ATOM 1742 C GLN A 107 -14.904 4.348 -4.661 1.00 41.34 C ATOM 1743 O GLN A 107 -14.739 4.006 -5.817 1.00 1.44 O ATOM 1744 CB GLN A 107 -15.117 6.844 -5.237 1.00 43.12 C ATOM 1745 CG GLN A 107 -16.657 6.932 -5.345 1.00 41.20 C ATOM 1746 CD GLN A 107 -17.343 7.435 -4.066 1.00 21.21 C ATOM 1747 OE1 GLN A 107 -16.788 8.233 -3.311 1.00 21.34 O ATOM 1748 NE2 GLN A 107 -18.559 6.970 -3.813 1.00 5.34 N ATOM 0 H GLN A 107 -12.702 6.522 -4.817 1.00 72.31 H new ATOM 0 HA GLN A 107 -15.063 5.986 -3.266 1.00 3.22 H new ATOM 0 HB2 GLN A 107 -14.733 7.825 -4.956 1.00 43.12 H new ATOM 0 HB3 GLN A 107 -14.713 6.614 -6.223 1.00 43.12 H new ATOM 0 HG2 GLN A 107 -16.916 7.596 -6.170 1.00 41.20 H new ATOM 0 HG3 GLN A 107 -17.051 5.946 -5.593 1.00 41.20 H new ATOM 0 HE21 GLN A 107 -18.996 6.309 -4.455 1.00 5.34 H new ATOM 0 HE22 GLN A 107 -19.057 7.273 -2.976 1.00 5.34 H new ATOM 1757 N LEU A 108 -15.339 3.513 -3.704 1.00 41.32 N ATOM 1758 CA LEU A 108 -15.539 2.056 -3.904 1.00 25.14 C ATOM 1759 C LEU A 108 -16.709 1.819 -4.887 1.00 43.03 C ATOM 1760 O LEU A 108 -17.648 2.626 -4.930 1.00 61.41 O ATOM 1761 CB LEU A 108 -15.777 1.394 -2.502 1.00 62.53 C ATOM 1762 CG LEU A 108 -15.631 -0.159 -2.344 1.00 11.33 C ATOM 1763 CD1 LEU A 108 -16.817 -0.943 -2.939 1.00 22.41 C ATOM 1764 CD2 LEU A 108 -14.276 -0.640 -2.896 1.00 12.13 C ATOM 0 H LEU A 108 -15.566 3.826 -2.760 1.00 41.32 H new ATOM 0 HA LEU A 108 -14.659 1.594 -4.351 1.00 25.14 H new ATOM 0 HB2 LEU A 108 -15.085 1.860 -1.800 1.00 62.53 H new ATOM 0 HB3 LEU A 108 -16.784 1.661 -2.182 1.00 62.53 H new ATOM 0 HG LEU A 108 -15.653 -0.373 -1.275 1.00 11.33 H new ATOM 0 HD11 LEU A 108 -16.655 -2.011 -2.797 1.00 22.41 H new ATOM 0 HD12 LEU A 108 -17.738 -0.646 -2.437 1.00 22.41 H new ATOM 0 HD13 LEU A 108 -16.898 -0.727 -4.004 1.00 22.41 H new ATOM 0 HD21 LEU A 108 -14.197 -1.720 -2.776 1.00 12.13 H new ATOM 0 HD22 LEU A 108 -14.203 -0.386 -3.954 1.00 12.13 H new ATOM 0 HD23 LEU A 108 -13.467 -0.154 -2.350 1.00 12.13 H new ATOM 1776 N GLU A 109 -16.610 0.712 -5.673 1.00 22.51 N ATOM 1777 CA GLU A 109 -17.575 0.341 -6.737 1.00 21.21 C ATOM 1778 C GLU A 109 -17.374 1.254 -7.963 1.00 60.25 C ATOM 1779 O GLU A 109 -16.819 0.825 -8.984 1.00 34.21 O ATOM 1780 CB GLU A 109 -19.045 0.356 -6.217 1.00 64.10 C ATOM 1781 CG GLU A 109 -20.134 0.050 -7.261 1.00 65.40 C ATOM 1782 CD GLU A 109 -21.552 0.302 -6.714 1.00 45.43 C ATOM 1783 OE1 GLU A 109 -22.159 -0.624 -6.139 1.00 23.01 O ATOM 1784 OE2 GLU A 109 -22.043 1.450 -6.816 1.00 2.44 O ATOM 0 H GLU A 109 -15.844 0.044 -5.581 1.00 22.51 H new ATOM 0 HA GLU A 109 -17.380 -0.686 -7.045 1.00 21.21 H new ATOM 0 HB2 GLU A 109 -19.131 -0.370 -5.409 1.00 64.10 H new ATOM 0 HB3 GLU A 109 -19.247 1.337 -5.787 1.00 64.10 H new ATOM 0 HG2 GLU A 109 -19.972 0.668 -8.144 1.00 65.40 H new ATOM 0 HG3 GLU A 109 -20.048 -0.989 -7.579 1.00 65.40 H new ATOM 1791 N GLY A 110 -17.804 2.524 -7.840 1.00 21.44 N ATOM 1792 CA GLY A 110 -17.549 3.539 -8.861 1.00 42.21 C ATOM 1793 C GLY A 110 -16.162 4.147 -8.706 1.00 21.42 C ATOM 1794 O GLY A 110 -16.033 5.325 -8.365 1.00 63.32 O ATOM 0 H GLY A 110 -18.332 2.866 -7.037 1.00 21.44 H new ATOM 0 HA2 GLY A 110 -17.644 3.093 -9.851 1.00 42.21 H new ATOM 0 HA3 GLY A 110 -18.302 4.324 -8.792 1.00 42.21 H new ATOM 1798 N VAL A 111 -15.126 3.313 -8.957 1.00 23.44 N ATOM 1799 CA VAL A 111 -13.712 3.673 -8.739 1.00 3.53 C ATOM 1800 C VAL A 111 -13.181 4.622 -9.846 1.00 3.44 C ATOM 1801 O VAL A 111 -12.442 4.224 -10.743 1.00 22.33 O ATOM 1802 CB VAL A 111 -12.797 2.382 -8.564 1.00 54.12 C ATOM 1803 CG1 VAL A 111 -13.076 1.669 -7.215 1.00 4.54 C ATOM 1804 CG2 VAL A 111 -12.960 1.379 -9.735 1.00 5.53 C ATOM 0 H VAL A 111 -15.252 2.367 -9.318 1.00 23.44 H new ATOM 0 HA VAL A 111 -13.660 4.226 -7.801 1.00 3.53 H new ATOM 0 HB VAL A 111 -11.766 2.736 -8.569 1.00 54.12 H new ATOM 0 HG11 VAL A 111 -12.435 0.792 -7.128 1.00 4.54 H new ATOM 0 HG12 VAL A 111 -12.869 2.353 -6.392 1.00 4.54 H new ATOM 0 HG13 VAL A 111 -14.121 1.360 -7.176 1.00 4.54 H new ATOM 0 HG21 VAL A 111 -12.315 0.516 -9.568 1.00 5.53 H new ATOM 0 HG22 VAL A 111 -13.998 1.051 -9.791 1.00 5.53 H new ATOM 0 HG23 VAL A 111 -12.682 1.864 -10.671 1.00 5.53 H new ATOM 1814 N ASP A 112 -13.618 5.893 -9.758 1.00 60.15 N ATOM 1815 CA ASP A 112 -13.200 6.992 -10.653 1.00 41.24 C ATOM 1816 C ASP A 112 -13.755 8.310 -10.104 1.00 23.35 C ATOM 1817 O ASP A 112 -14.861 8.334 -9.543 1.00 35.01 O ATOM 1818 CB ASP A 112 -13.696 6.795 -12.120 1.00 71.34 C ATOM 1819 CG ASP A 112 -13.191 7.902 -13.076 1.00 32.24 C ATOM 1820 OD1 ASP A 112 -12.023 7.843 -13.501 1.00 12.42 O ATOM 1821 OD2 ASP A 112 -13.948 8.851 -13.383 1.00 21.24 O ATOM 0 H ASP A 112 -14.286 6.192 -9.048 1.00 60.15 H new ATOM 0 HA ASP A 112 -12.110 7.003 -10.681 1.00 41.24 H new ATOM 0 HB2 ASP A 112 -13.360 5.824 -12.485 1.00 71.34 H new ATOM 0 HB3 ASP A 112 -14.786 6.780 -12.132 1.00 71.34 H new ATOM 1826 N LEU A 113 -12.982 9.395 -10.257 1.00 74.31 N ATOM 1827 CA LEU A 113 -13.418 10.762 -9.911 1.00 21.32 C ATOM 1828 C LEU A 113 -13.225 11.699 -11.123 1.00 23.02 C ATOM 1829 O LEU A 113 -13.995 12.641 -11.317 1.00 73.13 O ATOM 1830 CB LEU A 113 -12.629 11.291 -8.677 1.00 11.01 C ATOM 1831 CG LEU A 113 -12.813 10.488 -7.348 1.00 15.52 C ATOM 1832 CD1 LEU A 113 -11.933 11.059 -6.218 1.00 3.35 C ATOM 1833 CD2 LEU A 113 -14.298 10.428 -6.921 1.00 44.21 C ATOM 0 H LEU A 113 -12.032 9.352 -10.626 1.00 74.31 H new ATOM 0 HA LEU A 113 -14.476 10.739 -9.652 1.00 21.32 H new ATOM 0 HB2 LEU A 113 -11.568 11.302 -8.927 1.00 11.01 H new ATOM 0 HB3 LEU A 113 -12.925 12.324 -8.497 1.00 11.01 H new ATOM 0 HG LEU A 113 -12.484 9.467 -7.540 1.00 15.52 H new ATOM 0 HD11 LEU A 113 -12.086 10.477 -5.309 1.00 3.35 H new ATOM 0 HD12 LEU A 113 -10.885 11.006 -6.511 1.00 3.35 H new ATOM 0 HD13 LEU A 113 -12.206 12.098 -6.034 1.00 3.35 H new ATOM 0 HD21 LEU A 113 -14.387 9.862 -5.994 1.00 44.21 H new ATOM 0 HD22 LEU A 113 -14.673 11.440 -6.767 1.00 44.21 H new ATOM 0 HD23 LEU A 113 -14.882 9.940 -7.702 1.00 44.21 H new ATOM 1845 N GLU A 114 -12.192 11.404 -11.940 1.00 71.44 N ATOM 1846 CA GLU A 114 -11.783 12.249 -13.080 1.00 21.13 C ATOM 1847 C GLU A 114 -12.581 11.911 -14.354 1.00 35.21 C ATOM 1848 O GLU A 114 -12.153 11.104 -15.187 1.00 11.30 O ATOM 1849 CB GLU A 114 -10.255 12.102 -13.329 1.00 23.01 C ATOM 1850 CG GLU A 114 -9.369 12.700 -12.224 1.00 52.20 C ATOM 1851 CD GLU A 114 -7.864 12.564 -12.514 1.00 71.01 C ATOM 1852 OE1 GLU A 114 -7.271 11.536 -12.137 1.00 31.43 O ATOM 1853 OE2 GLU A 114 -7.273 13.476 -13.129 1.00 62.52 O ATOM 0 H GLU A 114 -11.616 10.570 -11.826 1.00 71.44 H new ATOM 0 HA GLU A 114 -12.003 13.287 -12.828 1.00 21.13 H new ATOM 0 HB2 GLU A 114 -10.017 11.044 -13.435 1.00 23.01 H new ATOM 0 HB3 GLU A 114 -10.006 12.581 -14.276 1.00 23.01 H new ATOM 0 HG2 GLU A 114 -9.615 13.755 -12.101 1.00 52.20 H new ATOM 0 HG3 GLU A 114 -9.596 12.207 -11.279 1.00 52.20 H new ATOM 1860 N HIS A 115 -13.761 12.534 -14.484 1.00 55.33 N ATOM 1861 CA HIS A 115 -14.605 12.439 -15.691 1.00 2.30 C ATOM 1862 C HIS A 115 -14.399 13.695 -16.573 1.00 34.10 C ATOM 1863 O HIS A 115 -15.287 14.545 -16.712 1.00 65.30 O ATOM 1864 CB HIS A 115 -16.097 12.207 -15.291 1.00 75.31 C ATOM 1865 CG HIS A 115 -16.659 13.181 -14.269 1.00 13.30 C ATOM 1866 ND1 HIS A 115 -17.048 14.465 -14.586 1.00 31.33 N ATOM 1867 CD2 HIS A 115 -16.901 13.045 -12.943 1.00 44.44 C ATOM 1868 CE1 HIS A 115 -17.497 15.069 -13.507 1.00 3.22 C ATOM 1869 NE2 HIS A 115 -17.420 14.232 -12.497 1.00 22.11 N ATOM 0 H HIS A 115 -14.162 13.122 -13.753 1.00 55.33 H new ATOM 0 HA HIS A 115 -14.308 11.577 -16.289 1.00 2.30 H new ATOM 0 HB2 HIS A 115 -16.709 12.259 -16.192 1.00 75.31 H new ATOM 0 HB3 HIS A 115 -16.196 11.196 -14.896 1.00 75.31 H new ATOM 0 HD1 HIS A 115 -16.996 14.883 -15.515 1.00 31.33 H new ATOM 0 HD2 HIS A 115 -16.718 12.163 -12.347 1.00 44.44 H new ATOM 0 HE1 HIS A 115 -17.867 16.083 -13.459 1.00 3.22 H new ATOM 1878 N HIS A 116 -13.196 13.795 -17.168 1.00 55.41 N ATOM 1879 CA HIS A 116 -12.772 14.989 -17.934 1.00 11.34 C ATOM 1880 C HIS A 116 -13.452 15.064 -19.311 1.00 24.34 C ATOM 1881 O HIS A 116 -13.446 14.092 -20.068 1.00 15.31 O ATOM 1882 CB HIS A 116 -11.234 15.019 -18.133 1.00 53.01 C ATOM 1883 CG HIS A 116 -10.433 15.124 -16.866 1.00 70.11 C ATOM 1884 ND1 HIS A 116 -10.277 16.301 -16.168 1.00 70.22 N ATOM 1885 CD2 HIS A 116 -9.730 14.196 -16.185 1.00 30.43 C ATOM 1886 CE1 HIS A 116 -9.511 16.087 -15.120 1.00 10.44 C ATOM 1887 NE2 HIS A 116 -9.158 14.822 -15.112 1.00 54.13 N ATOM 0 H HIS A 116 -12.492 13.057 -17.134 1.00 55.41 H new ATOM 0 HA HIS A 116 -13.079 15.851 -17.342 1.00 11.34 H new ATOM 0 HB2 HIS A 116 -10.933 14.114 -18.662 1.00 53.01 H new ATOM 0 HB3 HIS A 116 -10.982 15.863 -18.776 1.00 53.01 H new ATOM 0 HD2 HIS A 116 -9.636 13.151 -16.440 1.00 30.43 H new ATOM 0 HE1 HIS A 116 -9.221 16.827 -14.389 1.00 10.44 H new ATOM 0 HE2 HIS A 116 -8.555 14.379 -14.419 1.00 54.13 H new ATOM 1896 N HIS A 117 -14.032 16.237 -19.613 1.00 43.14 N ATOM 1897 CA HIS A 117 -14.532 16.592 -20.954 1.00 60.54 C ATOM 1898 C HIS A 117 -13.775 17.838 -21.444 1.00 32.21 C ATOM 1899 O HIS A 117 -14.155 18.977 -21.138 1.00 21.34 O ATOM 1900 CB HIS A 117 -16.068 16.826 -20.941 1.00 54.04 C ATOM 1901 CG HIS A 117 -16.906 15.566 -20.872 1.00 41.32 C ATOM 1902 ND1 HIS A 117 -17.573 15.046 -21.968 1.00 0.34 N ATOM 1903 CD2 HIS A 117 -17.192 14.729 -19.842 1.00 0.25 C ATOM 1904 CE1 HIS A 117 -18.230 13.964 -21.610 1.00 44.14 C ATOM 1905 NE2 HIS A 117 -18.023 13.751 -20.329 1.00 72.21 N ATOM 0 H HIS A 117 -14.169 16.976 -18.924 1.00 43.14 H new ATOM 0 HA HIS A 117 -14.351 15.766 -21.642 1.00 60.54 H new ATOM 0 HB2 HIS A 117 -16.317 17.457 -20.088 1.00 54.04 H new ATOM 0 HB3 HIS A 117 -16.344 17.379 -21.839 1.00 54.04 H new ATOM 0 HD2 HIS A 117 -16.832 14.816 -18.827 1.00 0.25 H new ATOM 0 HE1 HIS A 117 -18.838 13.352 -22.260 1.00 44.14 H new ATOM 0 HE2 HIS A 117 -18.416 12.983 -19.785 1.00 72.21 H new ATOM 1914 N HIS A 118 -12.667 17.603 -22.169 1.00 51.33 N ATOM 1915 CA HIS A 118 -11.772 18.666 -22.658 1.00 12.44 C ATOM 1916 C HIS A 118 -11.939 18.832 -24.180 1.00 34.14 C ATOM 1917 O HIS A 118 -11.785 17.867 -24.937 1.00 60.42 O ATOM 1918 CB HIS A 118 -10.294 18.341 -22.282 1.00 62.54 C ATOM 1919 CG HIS A 118 -9.693 17.127 -22.966 1.00 13.34 C ATOM 1920 ND1 HIS A 118 -8.899 17.212 -24.092 1.00 12.22 N ATOM 1921 CD2 HIS A 118 -9.775 15.806 -22.676 1.00 11.44 C ATOM 1922 CE1 HIS A 118 -8.528 16.002 -24.458 1.00 11.02 C ATOM 1923 NE2 HIS A 118 -9.043 15.136 -23.617 1.00 70.54 N ATOM 0 H HIS A 118 -12.366 16.665 -22.433 1.00 51.33 H new ATOM 0 HA HIS A 118 -12.038 19.610 -22.182 1.00 12.44 H new ATOM 0 HB2 HIS A 118 -9.679 19.210 -22.518 1.00 62.54 H new ATOM 0 HB3 HIS A 118 -10.237 18.193 -21.204 1.00 62.54 H new ATOM 0 HD1 HIS A 118 -8.640 18.077 -24.567 1.00 12.22 H new ATOM 0 HD2 HIS A 118 -10.318 15.364 -21.854 1.00 11.44 H new ATOM 0 HE1 HIS A 118 -7.905 15.763 -25.307 1.00 11.02 H new ATOM 1932 N HIS A 119 -12.300 20.048 -24.618 1.00 51.34 N ATOM 1933 CA HIS A 119 -12.439 20.363 -26.051 1.00 11.32 C ATOM 1934 C HIS A 119 -11.042 20.584 -26.668 1.00 51.24 C ATOM 1935 O HIS A 119 -10.307 21.475 -26.222 1.00 14.13 O ATOM 1936 CB HIS A 119 -13.378 21.586 -26.273 1.00 30.41 C ATOM 1937 CG HIS A 119 -13.012 22.845 -25.516 1.00 54.55 C ATOM 1938 ND1 HIS A 119 -13.464 23.106 -24.243 1.00 71.34 N ATOM 1939 CD2 HIS A 119 -12.260 23.922 -25.865 1.00 75.32 C ATOM 1940 CE1 HIS A 119 -13.012 24.279 -23.848 1.00 3.03 C ATOM 1941 NE2 HIS A 119 -12.280 24.791 -24.811 1.00 42.51 N ATOM 0 H HIS A 119 -12.502 20.833 -23.999 1.00 51.34 H new ATOM 0 HA HIS A 119 -12.907 19.520 -26.558 1.00 11.32 H new ATOM 0 HB2 HIS A 119 -13.396 21.818 -27.338 1.00 30.41 H new ATOM 0 HB3 HIS A 119 -14.391 21.298 -25.992 1.00 30.41 H new ATOM 0 HD2 HIS A 119 -11.742 24.064 -26.802 1.00 75.32 H new ATOM 0 HE1 HIS A 119 -13.210 24.742 -22.893 1.00 3.03 H new ATOM 0 HE2 HIS A 119 -11.803 25.692 -24.777 1.00 42.51 H new ATOM 1950 N HIS A 120 -10.693 19.746 -27.676 1.00 42.33 N ATOM 1951 CA HIS A 120 -9.354 19.715 -28.313 1.00 0.20 C ATOM 1952 C HIS A 120 -8.267 19.411 -27.229 1.00 4.51 C ATOM 1953 O HIS A 120 -7.597 20.342 -26.741 1.00 73.12 O ATOM 1954 CB HIS A 120 -9.080 21.032 -29.123 1.00 71.20 C ATOM 1955 CG HIS A 120 -7.710 21.129 -29.762 1.00 42.03 C ATOM 1956 ND1 HIS A 120 -6.645 21.750 -29.146 1.00 41.14 N ATOM 1957 CD2 HIS A 120 -7.233 20.676 -30.948 1.00 51.21 C ATOM 1958 CE1 HIS A 120 -5.584 21.684 -29.922 1.00 20.42 C ATOM 1959 NE2 HIS A 120 -5.914 21.041 -31.020 1.00 42.31 N ATOM 1960 OXT HIS A 120 -8.123 18.239 -26.840 1.00 37.53 O ATOM 0 H HIS A 120 -11.341 19.066 -28.073 1.00 42.33 H new ATOM 0 HA HIS A 120 -9.313 18.910 -29.047 1.00 0.20 H new ATOM 0 HB2 HIS A 120 -9.834 21.121 -29.905 1.00 71.20 H new ATOM 0 HB3 HIS A 120 -9.212 21.883 -28.455 1.00 71.20 H new ATOM 0 HD2 HIS A 120 -7.789 20.130 -31.696 1.00 51.21 H new ATOM 0 HE1 HIS A 120 -4.609 22.089 -29.695 1.00 20.42 H new ATOM 0 HE2 HIS A 120 -5.288 20.845 -31.801 1.00 42.31 H new TER 1969 HIS A 120