USER MOD reduce.3.24.130724 H: found=0, std=0, add=1125, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1125 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 112 MET CE :methyl 173:sc= -0.0965 (180deg=-0.347) USER MOD Set 1.2: A 143 THR OG1 : rot 50:sc= 1.3 USER MOD Set 2.1: A 64 GLN : amide:sc= 0.975 K(o=2.2,f=0.96) USER MOD Set 2.2: A 69 HIS : no HD1:sc= 1.2 K(o=2.2,f=-8.9!) USER MOD Set 3.1: A 31 GLN : amide:sc= 1.07 K(o=2.2,f=-0.95) USER MOD Set 3.2: A 35 ASN : amide:sc= 1.18 K(o=2.2,f=0.29) USER MOD Set 4.1: A 9 THR OG1 : rot 117:sc= 1.03 USER MOD Set 4.2: A 11 ASN : amide:sc= 0.894 K(o=1.9,f=0.2) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00118) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 8 MET CE :methyl 162:sc= -0.0157 (180deg=-0.359) USER MOD Single : A 14 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00318) USER MOD Single : A 16 MET CE :methyl -150:sc= -0.0498 (180deg=-0.492) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0.763 K(o=0.76,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : A 30 MET CE :methyl 178:sc= 0 (180deg=-0.00613) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0.0409 X(o=0.041,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.342 K(o=-0.34,f=-0.92) USER MOD Single : A 57 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.025) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 165:sc= -0.0112 (180deg=-0.332) USER MOD Single : A 67 ASN : amide:sc= 0.613 K(o=0.61,f=-0.26) USER MOD Single : A 70 HIS : no HD1:sc= 1.21 K(o=1.2,f=-5.1!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 161:sc= -0.0346 (180deg=-0.453) USER MOD Single : A 78 MET CE :methyl 163:sc= -0.0143 (180deg=-0.393) USER MOD Single : A 79 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0852) USER MOD Single : A 80 HIS : no HD1:sc= 0.4 K(o=0.4,f=-5.6!) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -0.506 K(o=-0.51,f=0.019) USER MOD Single : A 94 LYS NZ :NH3+ -172:sc= 0.412 (180deg=0.382) USER MOD Single : A 95 HIS : no HD1:sc= -3.27! C(o=-3.3!,f=-5.2!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -2.45 K(o=-2.4,f=-3.5!) USER MOD Single : A 111 THR OG1 : rot 160:sc= 0.337 USER MOD Single : A 114 ASN : amide:sc= 0.425 K(o=0.42,f=-0.82) USER MOD Single : A 117 MET CE :methyl -169:sc=-0.00572 (180deg=-0.179) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 HIS : no HD1:sc= 0.602 K(o=0.78,f=-5.7!) USER MOD Single : A 125 LYS NZ :NH3+ -164:sc= 1.13 (180deg=0.932) USER MOD Single : A 131 THR OG1 : rot 180:sc= -0.0269 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 10.981 -17.537 -2.534 1.00 41.42 N ATOM 2 CA SER A 1 10.983 -16.153 -3.151 1.00 22.22 C ATOM 3 C SER A 1 10.508 -15.037 -2.223 1.00 73.42 C ATOM 4 O SER A 1 11.104 -13.965 -2.159 1.00 1.13 O ATOM 5 CB SER A 1 10.103 -16.190 -4.440 1.00 14.41 C ATOM 6 OG SER A 1 10.126 -14.955 -5.160 1.00 54.05 O ATOM 0 H1 SER A 1 11.317 -18.229 -3.233 1.00 41.42 H new ATOM 0 H2 SER A 1 11.610 -17.549 -1.706 1.00 41.42 H new ATOM 0 H3 SER A 1 10.015 -17.784 -2.239 1.00 41.42 H new ATOM 0 HA SER A 1 12.021 -15.909 -3.375 1.00 22.22 H new ATOM 0 HB2 SER A 1 10.453 -16.992 -5.091 1.00 14.41 H new ATOM 0 HB3 SER A 1 9.075 -16.427 -4.166 1.00 14.41 H new ATOM 0 HG SER A 1 9.562 -15.031 -5.958 1.00 54.05 H new ATOM 14 N LYS A 2 9.407 -15.259 -1.470 1.00 74.30 N ATOM 15 CA LYS A 2 8.741 -14.257 -0.656 1.00 24.43 C ATOM 16 C LYS A 2 9.574 -13.784 0.517 1.00 50.22 C ATOM 17 O LYS A 2 9.705 -12.590 0.775 1.00 13.42 O ATOM 18 CB LYS A 2 7.398 -14.795 -0.106 1.00 52.31 C ATOM 19 CG LYS A 2 6.320 -14.995 -1.184 1.00 1.31 C ATOM 20 CD LYS A 2 5.012 -15.540 -0.583 1.00 52.23 C ATOM 21 CE LYS A 2 3.824 -15.566 -1.548 1.00 31.25 C ATOM 22 NZ LYS A 2 4.095 -16.475 -2.678 1.00 21.04 N ATOM 0 H LYS A 2 8.956 -16.173 -1.421 1.00 74.30 H new ATOM 0 HA LYS A 2 8.576 -13.410 -1.322 1.00 24.43 H new ATOM 0 HB2 LYS A 2 7.577 -15.746 0.396 1.00 52.31 H new ATOM 0 HB3 LYS A 2 7.021 -14.103 0.647 1.00 52.31 H new ATOM 0 HG2 LYS A 2 6.124 -14.046 -1.684 1.00 1.31 H new ATOM 0 HG3 LYS A 2 6.688 -15.685 -1.943 1.00 1.31 H new ATOM 0 HD2 LYS A 2 5.190 -16.552 -0.220 1.00 52.23 H new ATOM 0 HD3 LYS A 2 4.746 -14.933 0.283 1.00 52.23 H new ATOM 0 HE2 LYS A 2 2.927 -15.890 -1.021 1.00 31.25 H new ATOM 0 HE3 LYS A 2 3.629 -14.561 -1.921 1.00 31.25 H new ATOM 0 HZ1 LYS A 2 3.272 -16.493 -3.314 1.00 21.04 H new ATOM 0 HZ2 LYS A 2 4.929 -16.140 -3.201 1.00 21.04 H new ATOM 0 HZ3 LYS A 2 4.275 -17.434 -2.317 1.00 21.04 H new ATOM 36 N GLU A 3 10.203 -14.736 1.244 1.00 53.05 N ATOM 37 CA GLU A 3 10.910 -14.484 2.488 1.00 51.13 C ATOM 38 C GLU A 3 12.297 -13.937 2.310 1.00 70.42 C ATOM 39 O GLU A 3 13.013 -13.622 3.256 1.00 32.21 O ATOM 40 CB GLU A 3 10.928 -15.734 3.421 1.00 11.25 C ATOM 41 CG GLU A 3 11.747 -16.964 2.939 1.00 10.10 C ATOM 42 CD GLU A 3 10.965 -17.913 2.027 1.00 1.15 C ATOM 43 OE1 GLU A 3 10.740 -19.077 2.443 1.00 2.23 O ATOM 44 OE2 GLU A 3 10.582 -17.472 0.909 1.00 31.13 O ATOM 0 H GLU A 3 10.224 -15.716 0.963 1.00 53.05 H new ATOM 0 HA GLU A 3 10.332 -13.698 2.973 1.00 51.13 H new ATOM 0 HB2 GLU A 3 11.318 -15.427 4.391 1.00 11.25 H new ATOM 0 HB3 GLU A 3 9.898 -16.054 3.578 1.00 11.25 H new ATOM 0 HG2 GLU A 3 12.632 -16.613 2.408 1.00 10.10 H new ATOM 0 HG3 GLU A 3 12.097 -17.519 3.810 1.00 10.10 H new ATOM 51 N VAL A 4 12.672 -13.812 1.038 1.00 61.44 N ATOM 52 CA VAL A 4 13.857 -13.098 0.575 1.00 72.32 C ATOM 53 C VAL A 4 13.721 -11.610 0.819 1.00 25.33 C ATOM 54 O VAL A 4 14.659 -10.939 1.245 1.00 4.32 O ATOM 55 CB VAL A 4 14.114 -13.277 -0.918 1.00 62.12 C ATOM 56 CG1 VAL A 4 15.306 -12.441 -1.445 1.00 32.22 C ATOM 57 CG2 VAL A 4 14.341 -14.756 -1.245 1.00 3.40 C ATOM 0 H VAL A 4 12.136 -14.222 0.273 1.00 61.44 H new ATOM 0 HA VAL A 4 14.686 -13.523 1.140 1.00 72.32 H new ATOM 0 HB VAL A 4 13.221 -12.910 -1.424 1.00 62.12 H new ATOM 0 HG11 VAL A 4 15.430 -12.618 -2.513 1.00 32.22 H new ATOM 0 HG12 VAL A 4 15.112 -11.382 -1.272 1.00 32.22 H new ATOM 0 HG13 VAL A 4 16.216 -12.734 -0.921 1.00 32.22 H new ATOM 0 HG21 VAL A 4 14.523 -14.869 -2.314 1.00 3.40 H new ATOM 0 HG22 VAL A 4 15.204 -15.123 -0.689 1.00 3.40 H new ATOM 0 HG23 VAL A 4 13.458 -15.330 -0.965 1.00 3.40 H new ATOM 67 N MET A 5 12.532 -11.069 0.455 1.00 22.30 N ATOM 68 CA MET A 5 12.399 -9.724 -0.061 1.00 73.25 C ATOM 69 C MET A 5 12.740 -8.641 0.949 1.00 23.11 C ATOM 70 O MET A 5 13.396 -7.650 0.634 1.00 12.32 O ATOM 71 CB MET A 5 10.966 -9.485 -0.602 1.00 21.34 C ATOM 72 CG MET A 5 10.638 -10.343 -1.841 1.00 51.14 C ATOM 73 SD MET A 5 8.984 -10.032 -2.529 1.00 41.43 S ATOM 74 CE MET A 5 9.126 -11.317 -3.804 1.00 14.54 C ATOM 0 H MET A 5 11.647 -11.572 0.519 1.00 22.30 H new ATOM 0 HA MET A 5 13.128 -9.649 -0.867 1.00 73.25 H new ATOM 0 HB2 MET A 5 10.245 -9.704 0.186 1.00 21.34 H new ATOM 0 HB3 MET A 5 10.851 -8.431 -0.856 1.00 21.34 H new ATOM 0 HG2 MET A 5 11.384 -10.152 -2.612 1.00 51.14 H new ATOM 0 HG3 MET A 5 10.718 -11.397 -1.574 1.00 51.14 H new ATOM 0 HE1 MET A 5 8.211 -11.345 -4.396 1.00 14.54 H new ATOM 0 HE2 MET A 5 9.972 -11.093 -4.454 1.00 14.54 H new ATOM 0 HE3 MET A 5 9.280 -12.286 -3.329 1.00 14.54 H new ATOM 84 N LYS A 6 12.279 -8.832 2.199 1.00 12.11 N ATOM 85 CA LYS A 6 12.579 -7.994 3.330 1.00 61.11 C ATOM 86 C LYS A 6 12.766 -8.961 4.476 1.00 34.03 C ATOM 87 O LYS A 6 12.080 -9.981 4.532 1.00 53.51 O ATOM 88 CB LYS A 6 11.429 -7.000 3.636 1.00 64.42 C ATOM 89 CG LYS A 6 11.678 -6.031 4.811 1.00 73.33 C ATOM 90 CD LYS A 6 12.837 -5.046 4.569 1.00 35.23 C ATOM 91 CE LYS A 6 13.112 -4.138 5.768 1.00 61.03 C ATOM 92 NZ LYS A 6 14.131 -3.133 5.405 1.00 43.31 N ATOM 0 H LYS A 6 11.665 -9.611 2.437 1.00 12.11 H new ATOM 0 HA LYS A 6 13.458 -7.376 3.149 1.00 61.11 H new ATOM 0 HB2 LYS A 6 11.233 -6.412 2.739 1.00 64.42 H new ATOM 0 HB3 LYS A 6 10.525 -7.572 3.846 1.00 64.42 H new ATOM 0 HG2 LYS A 6 10.766 -5.465 5.002 1.00 73.33 H new ATOM 0 HG3 LYS A 6 11.888 -6.611 5.710 1.00 73.33 H new ATOM 0 HD2 LYS A 6 13.740 -5.608 4.332 1.00 35.23 H new ATOM 0 HD3 LYS A 6 12.607 -4.430 3.699 1.00 35.23 H new ATOM 0 HE2 LYS A 6 12.193 -3.642 6.080 1.00 61.03 H new ATOM 0 HE3 LYS A 6 13.457 -4.731 6.615 1.00 61.03 H new ATOM 0 HZ1 LYS A 6 14.317 -2.516 6.222 1.00 43.31 H new ATOM 0 HZ2 LYS A 6 15.010 -3.614 5.128 1.00 43.31 H new ATOM 0 HZ3 LYS A 6 13.785 -2.559 4.610 1.00 43.31 H new ATOM 106 N GLN A 7 13.720 -8.698 5.399 1.00 34.15 N ATOM 107 CA GLN A 7 13.949 -9.545 6.554 1.00 72.32 C ATOM 108 C GLN A 7 12.783 -9.546 7.536 1.00 64.21 C ATOM 109 O GLN A 7 12.076 -8.554 7.710 1.00 30.32 O ATOM 110 CB GLN A 7 15.262 -9.153 7.286 1.00 31.42 C ATOM 111 CG GLN A 7 15.278 -7.724 7.883 1.00 44.01 C ATOM 112 CD GLN A 7 16.647 -7.401 8.493 1.00 33.01 C ATOM 113 OE1 GLN A 7 17.559 -8.229 8.529 1.00 75.04 O ATOM 114 NE2 GLN A 7 16.800 -6.141 8.978 1.00 55.53 N ATOM 0 H GLN A 7 14.342 -7.891 5.349 1.00 34.15 H new ATOM 0 HA GLN A 7 14.043 -10.559 6.167 1.00 72.32 H new ATOM 0 HB2 GLN A 7 15.440 -9.868 8.089 1.00 31.42 H new ATOM 0 HB3 GLN A 7 16.092 -9.247 6.586 1.00 31.42 H new ATOM 0 HG2 GLN A 7 15.042 -6.998 7.105 1.00 44.01 H new ATOM 0 HG3 GLN A 7 14.505 -7.636 8.647 1.00 44.01 H new ATOM 0 HE21 GLN A 7 16.025 -5.480 8.933 1.00 55.53 H new ATOM 0 HE22 GLN A 7 17.690 -5.857 9.387 1.00 55.53 H new ATOM 123 N MET A 8 12.537 -10.705 8.183 1.00 65.24 N ATOM 124 CA MET A 8 11.371 -10.916 9.012 1.00 32.52 C ATOM 125 C MET A 8 11.463 -10.219 10.360 1.00 12.23 C ATOM 126 O MET A 8 12.468 -10.293 11.066 1.00 70.21 O ATOM 127 CB MET A 8 11.101 -12.425 9.276 1.00 55.23 C ATOM 128 CG MET A 8 10.714 -13.255 8.028 1.00 62.41 C ATOM 129 SD MET A 8 12.063 -13.677 6.871 1.00 14.22 S ATOM 130 CE MET A 8 12.976 -14.827 7.940 1.00 73.03 C ATOM 0 H MET A 8 13.156 -11.514 8.133 1.00 65.24 H new ATOM 0 HA MET A 8 10.550 -10.483 8.440 1.00 32.52 H new ATOM 0 HB2 MET A 8 11.993 -12.864 9.722 1.00 55.23 H new ATOM 0 HB3 MET A 8 10.301 -12.511 10.012 1.00 55.23 H new ATOM 0 HG2 MET A 8 10.253 -14.183 8.366 1.00 62.41 H new ATOM 0 HG3 MET A 8 9.952 -12.704 7.476 1.00 62.41 H new ATOM 0 HE1 MET A 8 13.644 -15.437 7.332 1.00 73.03 H new ATOM 0 HE2 MET A 8 13.561 -14.262 8.666 1.00 73.03 H new ATOM 0 HE3 MET A 8 12.272 -15.473 8.464 1.00 73.03 H new ATOM 140 N THR A 9 10.354 -9.567 10.763 1.00 72.14 N ATOM 141 CA THR A 9 10.108 -9.101 12.115 1.00 23.43 C ATOM 142 C THR A 9 8.791 -9.727 12.510 1.00 53.12 C ATOM 143 O THR A 9 8.020 -10.145 11.645 1.00 34.22 O ATOM 144 CB THR A 9 10.041 -7.576 12.277 1.00 53.43 C ATOM 145 OG1 THR A 9 9.015 -6.969 11.493 1.00 30.31 O ATOM 146 CG2 THR A 9 11.390 -6.952 11.873 1.00 72.01 C ATOM 0 H THR A 9 9.589 -9.350 10.125 1.00 72.14 H new ATOM 0 HA THR A 9 10.946 -9.391 12.749 1.00 23.43 H new ATOM 0 HB THR A 9 9.812 -7.390 13.326 1.00 53.43 H new ATOM 0 HG1 THR A 9 8.356 -6.549 12.085 1.00 30.31 H new ATOM 0 HG21 THR A 9 11.339 -5.869 11.989 1.00 72.01 H new ATOM 0 HG22 THR A 9 12.180 -7.349 12.511 1.00 72.01 H new ATOM 0 HG23 THR A 9 11.607 -7.196 10.833 1.00 72.01 H new ATOM 154 N ILE A 10 8.487 -9.831 13.824 1.00 50.14 N ATOM 155 CA ILE A 10 7.209 -10.377 14.251 1.00 31.30 C ATOM 156 C ILE A 10 6.332 -9.190 14.605 1.00 52.11 C ATOM 157 O ILE A 10 6.487 -8.561 15.651 1.00 15.45 O ATOM 158 CB ILE A 10 7.350 -11.338 15.432 1.00 4.22 C ATOM 159 CG1 ILE A 10 8.280 -12.529 15.071 1.00 2.11 C ATOM 160 CG2 ILE A 10 5.965 -11.844 15.906 1.00 10.02 C ATOM 161 CD1 ILE A 10 8.621 -13.436 16.260 1.00 20.24 C ATOM 0 H ILE A 10 9.106 -9.546 14.583 1.00 50.14 H new ATOM 0 HA ILE A 10 6.767 -10.971 13.451 1.00 31.30 H new ATOM 0 HB ILE A 10 7.807 -10.790 16.256 1.00 4.22 H new ATOM 0 HG12 ILE A 10 7.802 -13.128 14.296 1.00 2.11 H new ATOM 0 HG13 ILE A 10 9.205 -12.139 14.648 1.00 2.11 H new ATOM 0 HG21 ILE A 10 6.095 -12.526 16.747 1.00 10.02 H new ATOM 0 HG22 ILE A 10 5.355 -10.996 16.217 1.00 10.02 H new ATOM 0 HG23 ILE A 10 5.469 -12.367 15.088 1.00 10.02 H new ATOM 0 HD11 ILE A 10 9.273 -14.243 15.927 1.00 20.24 H new ATOM 0 HD12 ILE A 10 9.129 -12.853 17.029 1.00 20.24 H new ATOM 0 HD13 ILE A 10 7.704 -13.857 16.671 1.00 20.24 H new ATOM 173 N ASN A 11 5.374 -8.859 13.715 1.00 53.33 N ATOM 174 CA ASN A 11 4.404 -7.804 13.904 1.00 22.14 C ATOM 175 C ASN A 11 3.153 -8.298 13.211 1.00 33.31 C ATOM 176 O ASN A 11 3.246 -9.096 12.279 1.00 4.33 O ATOM 177 CB ASN A 11 4.831 -6.456 13.251 1.00 21.54 C ATOM 178 CG ASN A 11 6.090 -5.869 13.896 1.00 61.32 C ATOM 179 OD1 ASN A 11 7.158 -5.830 13.276 1.00 30.51 O ATOM 180 ND2 ASN A 11 5.958 -5.367 15.152 1.00 15.21 N ATOM 0 H ASN A 11 5.266 -9.344 12.824 1.00 53.33 H new ATOM 0 HA ASN A 11 4.279 -7.603 14.968 1.00 22.14 H new ATOM 0 HB2 ASN A 11 5.010 -6.611 12.187 1.00 21.54 H new ATOM 0 HB3 ASN A 11 4.014 -5.739 13.336 1.00 21.54 H new ATOM 0 HD21 ASN A 11 6.758 -4.938 15.617 1.00 15.21 H new ATOM 0 HD22 ASN A 11 5.058 -5.419 15.630 1.00 15.21 H new ATOM 187 N PHE A 12 1.945 -7.812 13.588 1.00 61.20 N ATOM 188 CA PHE A 12 0.708 -8.189 12.916 1.00 50.24 C ATOM 189 C PHE A 12 0.461 -7.338 11.672 1.00 14.12 C ATOM 190 O PHE A 12 -0.603 -6.772 11.444 1.00 4.11 O ATOM 191 CB PHE A 12 -0.510 -8.175 13.900 1.00 34.30 C ATOM 192 CG PHE A 12 -0.797 -6.893 14.653 1.00 4.41 C ATOM 193 CD1 PHE A 12 -1.715 -5.948 14.156 1.00 63.22 C ATOM 194 CD2 PHE A 12 -0.241 -6.682 15.928 1.00 33.13 C ATOM 195 CE1 PHE A 12 -2.090 -4.837 14.921 1.00 22.22 C ATOM 196 CE2 PHE A 12 -0.612 -5.571 16.697 1.00 22.12 C ATOM 197 CZ PHE A 12 -1.545 -4.655 16.198 1.00 4.33 C ATOM 0 H PHE A 12 1.816 -7.156 14.359 1.00 61.20 H new ATOM 0 HA PHE A 12 0.821 -9.217 12.573 1.00 50.24 H new ATOM 0 HB2 PHE A 12 -1.403 -8.436 13.331 1.00 34.30 H new ATOM 0 HB3 PHE A 12 -0.357 -8.967 14.633 1.00 34.30 H new ATOM 0 HD1 PHE A 12 -2.136 -6.082 13.170 1.00 63.22 H new ATOM 0 HD2 PHE A 12 0.480 -7.385 16.319 1.00 33.13 H new ATOM 0 HE1 PHE A 12 -2.798 -4.122 14.527 1.00 22.22 H new ATOM 0 HE2 PHE A 12 -0.178 -5.422 17.675 1.00 22.12 H new ATOM 0 HZ PHE A 12 -1.845 -3.808 16.798 1.00 4.33 H new ATOM 207 N ALA A 13 1.494 -7.239 10.816 1.00 42.22 N ATOM 208 CA ALA A 13 1.586 -6.328 9.701 1.00 75.22 C ATOM 209 C ALA A 13 0.598 -6.489 8.576 1.00 63.25 C ATOM 210 O ALA A 13 0.103 -5.484 8.072 1.00 61.34 O ATOM 211 CB ALA A 13 3.004 -6.372 9.134 1.00 73.33 C ATOM 0 H ALA A 13 2.321 -7.830 10.903 1.00 42.22 H new ATOM 0 HA ALA A 13 1.324 -5.363 10.135 1.00 75.22 H new ATOM 0 HB1 ALA A 13 3.080 -5.686 8.291 1.00 73.33 H new ATOM 0 HB2 ALA A 13 3.714 -6.078 9.907 1.00 73.33 H new ATOM 0 HB3 ALA A 13 3.231 -7.384 8.799 1.00 73.33 H new ATOM 217 N LYS A 14 0.276 -7.727 8.136 1.00 62.40 N ATOM 218 CA LYS A 14 -0.588 -7.931 6.989 1.00 34.15 C ATOM 219 C LYS A 14 -1.995 -7.375 7.169 1.00 5.15 C ATOM 220 O LYS A 14 -2.427 -6.669 6.255 1.00 63.23 O ATOM 221 CB LYS A 14 -0.684 -9.426 6.565 1.00 44.24 C ATOM 222 CG LYS A 14 0.568 -9.980 5.855 1.00 34.11 C ATOM 223 CD LYS A 14 1.764 -10.289 6.773 1.00 53.01 C ATOM 224 CE LYS A 14 2.903 -11.032 6.070 1.00 62.05 C ATOM 225 NZ LYS A 14 3.507 -10.169 5.038 1.00 14.22 N ATOM 0 H LYS A 14 0.610 -8.588 8.569 1.00 62.40 H new ATOM 0 HA LYS A 14 -0.102 -7.364 6.195 1.00 34.15 H new ATOM 0 HB2 LYS A 14 -0.877 -10.029 7.452 1.00 44.24 H new ATOM 0 HB3 LYS A 14 -1.542 -9.547 5.904 1.00 44.24 H new ATOM 0 HG2 LYS A 14 0.292 -10.893 5.327 1.00 34.11 H new ATOM 0 HG3 LYS A 14 0.886 -9.260 5.102 1.00 34.11 H new ATOM 0 HD2 LYS A 14 2.149 -9.354 7.181 1.00 53.01 H new ATOM 0 HD3 LYS A 14 1.418 -10.886 7.617 1.00 53.01 H new ATOM 0 HE2 LYS A 14 3.659 -11.327 6.797 1.00 62.05 H new ATOM 0 HE3 LYS A 14 2.525 -11.947 5.615 1.00 62.05 H new ATOM 0 HZ1 LYS A 14 4.290 -10.675 4.577 1.00 14.22 H new ATOM 0 HZ2 LYS A 14 2.789 -9.923 4.328 1.00 14.22 H new ATOM 0 HZ3 LYS A 14 3.869 -9.300 5.480 1.00 14.22 H new ATOM 239 N PRO A 15 -2.759 -7.557 8.253 1.00 33.32 N ATOM 240 CA PRO A 15 -3.963 -6.769 8.450 1.00 23.31 C ATOM 241 C PRO A 15 -3.685 -5.320 8.797 1.00 33.51 C ATOM 242 O PRO A 15 -4.531 -4.481 8.493 1.00 65.52 O ATOM 243 CB PRO A 15 -4.685 -7.486 9.588 1.00 52.14 C ATOM 244 CG PRO A 15 -3.597 -8.186 10.399 1.00 51.11 C ATOM 245 CD PRO A 15 -2.505 -8.482 9.367 1.00 33.43 C ATOM 0 HA PRO A 15 -4.552 -6.708 7.535 1.00 23.31 H new ATOM 0 HB2 PRO A 15 -5.239 -6.779 10.206 1.00 52.14 H new ATOM 0 HB3 PRO A 15 -5.407 -8.205 9.201 1.00 52.14 H new ATOM 0 HG2 PRO A 15 -3.226 -7.550 11.203 1.00 51.11 H new ATOM 0 HG3 PRO A 15 -3.969 -9.100 10.862 1.00 51.11 H new ATOM 0 HD2 PRO A 15 -1.512 -8.325 9.789 1.00 33.43 H new ATOM 0 HD3 PRO A 15 -2.550 -9.519 9.034 1.00 33.43 H new ATOM 253 N MET A 16 -2.538 -4.978 9.436 1.00 51.53 N ATOM 254 CA MET A 16 -2.291 -3.620 9.878 1.00 4.21 C ATOM 255 C MET A 16 -2.090 -2.668 8.699 1.00 63.35 C ATOM 256 O MET A 16 -2.650 -1.574 8.660 1.00 0.54 O ATOM 257 CB MET A 16 -1.055 -3.578 10.800 1.00 61.53 C ATOM 258 CG MET A 16 -0.877 -2.259 11.571 1.00 74.53 C ATOM 259 SD MET A 16 0.849 -1.893 12.037 1.00 13.34 S ATOM 260 CE MET A 16 1.301 -3.495 12.772 1.00 74.03 C ATOM 0 H MET A 16 -1.786 -5.634 9.647 1.00 51.53 H new ATOM 0 HA MET A 16 -3.171 -3.289 10.430 1.00 4.21 H new ATOM 0 HB2 MET A 16 -1.125 -4.396 11.517 1.00 61.53 H new ATOM 0 HB3 MET A 16 -0.163 -3.756 10.199 1.00 61.53 H new ATOM 0 HG2 MET A 16 -1.258 -1.440 10.961 1.00 74.53 H new ATOM 0 HG3 MET A 16 -1.486 -2.294 12.474 1.00 74.53 H new ATOM 0 HE1 MET A 16 2.049 -3.340 13.550 1.00 74.03 H new ATOM 0 HE2 MET A 16 0.416 -3.959 13.207 1.00 74.03 H new ATOM 0 HE3 MET A 16 1.710 -4.147 12.000 1.00 74.03 H new ATOM 270 N GLU A 17 -1.293 -3.095 7.684 1.00 54.11 N ATOM 271 CA GLU A 17 -1.023 -2.326 6.480 1.00 53.41 C ATOM 272 C GLU A 17 -2.243 -2.235 5.592 1.00 60.33 C ATOM 273 O GLU A 17 -2.488 -1.222 4.934 1.00 22.54 O ATOM 274 CB GLU A 17 0.181 -2.891 5.664 1.00 31.31 C ATOM 275 CG GLU A 17 -0.004 -4.282 5.001 1.00 71.52 C ATOM 276 CD GLU A 17 1.274 -4.763 4.312 1.00 41.53 C ATOM 277 OE1 GLU A 17 1.697 -4.099 3.331 1.00 53.13 O ATOM 278 OE2 GLU A 17 1.826 -5.804 4.755 1.00 34.44 O ATOM 0 H GLU A 17 -0.822 -3.999 7.698 1.00 54.11 H new ATOM 0 HA GLU A 17 -0.757 -1.325 6.820 1.00 53.41 H new ATOM 0 HB2 GLU A 17 0.425 -2.173 4.881 1.00 31.31 H new ATOM 0 HB3 GLU A 17 1.044 -2.945 6.328 1.00 31.31 H new ATOM 0 HG2 GLU A 17 -0.303 -5.007 5.758 1.00 71.52 H new ATOM 0 HG3 GLU A 17 -0.812 -4.231 4.271 1.00 71.52 H new ATOM 285 N ALA A 18 -3.067 -3.307 5.573 1.00 60.13 N ATOM 286 CA ALA A 18 -4.314 -3.349 4.852 1.00 65.42 C ATOM 287 C ALA A 18 -5.300 -2.321 5.373 1.00 41.23 C ATOM 288 O ALA A 18 -5.834 -1.529 4.607 1.00 62.44 O ATOM 289 CB ALA A 18 -4.925 -4.753 4.954 1.00 4.44 C ATOM 0 H ALA A 18 -2.861 -4.171 6.074 1.00 60.13 H new ATOM 0 HA ALA A 18 -4.104 -3.111 3.809 1.00 65.42 H new ATOM 0 HB1 ALA A 18 -5.868 -4.780 4.407 1.00 4.44 H new ATOM 0 HB2 ALA A 18 -4.236 -5.481 4.526 1.00 4.44 H new ATOM 0 HB3 ALA A 18 -5.106 -4.996 6.001 1.00 4.44 H new ATOM 295 N CYS A 19 -5.470 -2.231 6.706 1.00 22.23 N ATOM 296 CA CYS A 19 -6.331 -1.270 7.379 1.00 10.23 C ATOM 297 C CYS A 19 -5.820 0.158 7.357 1.00 52.13 C ATOM 298 O CYS A 19 -6.468 1.057 7.880 1.00 3.24 O ATOM 299 CB CYS A 19 -6.549 -1.688 8.843 1.00 73.11 C ATOM 300 SG CYS A 19 -7.508 -3.224 8.930 1.00 51.21 S ATOM 0 H CYS A 19 -4.990 -2.852 7.357 1.00 22.23 H new ATOM 0 HA CYS A 19 -7.264 -1.281 6.816 1.00 10.23 H new ATOM 0 HB2 CYS A 19 -5.586 -1.825 9.335 1.00 73.11 H new ATOM 0 HB3 CYS A 19 -7.071 -0.896 9.379 1.00 73.11 H new ATOM 305 N LYS A 20 -4.641 0.435 6.778 1.00 22.33 N ATOM 306 CA LYS A 20 -4.276 1.799 6.458 1.00 65.33 C ATOM 307 C LYS A 20 -4.769 2.158 5.049 1.00 2.54 C ATOM 308 O LYS A 20 -5.410 3.184 4.826 1.00 43.24 O ATOM 309 CB LYS A 20 -2.740 1.928 6.635 1.00 63.30 C ATOM 310 CG LYS A 20 -2.168 3.354 6.557 1.00 65.33 C ATOM 311 CD LYS A 20 -1.919 3.929 5.154 1.00 22.12 C ATOM 312 CE LYS A 20 -0.634 3.413 4.508 1.00 24.10 C ATOM 313 NZ LYS A 20 -0.496 3.962 3.145 1.00 61.14 N ATOM 0 H LYS A 20 -3.942 -0.265 6.530 1.00 22.33 H new ATOM 0 HA LYS A 20 -4.754 2.516 7.126 1.00 65.33 H new ATOM 0 HB2 LYS A 20 -2.469 1.502 7.601 1.00 63.30 H new ATOM 0 HB3 LYS A 20 -2.254 1.321 5.871 1.00 63.30 H new ATOM 0 HG2 LYS A 20 -2.851 4.022 7.081 1.00 65.33 H new ATOM 0 HG3 LYS A 20 -1.225 3.371 7.103 1.00 65.33 H new ATOM 0 HD2 LYS A 20 -2.765 3.682 4.512 1.00 22.12 H new ATOM 0 HD3 LYS A 20 -1.874 5.016 5.217 1.00 22.12 H new ATOM 0 HE2 LYS A 20 0.227 3.699 5.113 1.00 24.10 H new ATOM 0 HE3 LYS A 20 -0.649 2.324 4.470 1.00 24.10 H new ATOM 0 HZ1 LYS A 20 0.381 3.605 2.714 1.00 61.14 H new ATOM 0 HZ2 LYS A 20 -1.310 3.668 2.568 1.00 61.14 H new ATOM 0 HZ3 LYS A 20 -0.462 5.000 3.191 1.00 61.14 H new ATOM 327 N GLN A 21 -4.513 1.296 4.038 1.00 25.42 N ATOM 328 CA GLN A 21 -4.812 1.600 2.641 1.00 43.10 C ATOM 329 C GLN A 21 -6.259 1.368 2.239 1.00 21.02 C ATOM 330 O GLN A 21 -6.829 2.131 1.465 1.00 73.41 O ATOM 331 CB GLN A 21 -3.893 0.796 1.703 1.00 5.24 C ATOM 332 CG GLN A 21 -4.180 -0.713 1.730 1.00 63.44 C ATOM 333 CD GLN A 21 -3.043 -1.548 1.172 1.00 44.21 C ATOM 334 OE1 GLN A 21 -2.955 -1.877 -0.011 1.00 75.24 O ATOM 335 NE2 GLN A 21 -2.176 -1.976 2.123 1.00 74.21 N ATOM 0 H GLN A 21 -4.095 0.376 4.179 1.00 25.42 H new ATOM 0 HA GLN A 21 -4.629 2.670 2.541 1.00 43.10 H new ATOM 0 HB2 GLN A 21 -4.011 1.165 0.684 1.00 5.24 H new ATOM 0 HB3 GLN A 21 -2.854 0.968 1.986 1.00 5.24 H new ATOM 0 HG2 GLN A 21 -4.378 -1.020 2.757 1.00 63.44 H new ATOM 0 HG3 GLN A 21 -5.085 -0.914 1.157 1.00 63.44 H new ATOM 0 HE21 GLN A 21 -2.291 -1.675 3.091 1.00 74.21 H new ATOM 0 HE22 GLN A 21 -1.409 -2.599 1.870 1.00 74.21 H new ATOM 344 N GLU A 22 -6.893 0.322 2.822 1.00 65.44 N ATOM 345 CA GLU A 22 -8.274 -0.123 2.631 1.00 54.10 C ATOM 346 C GLU A 22 -9.230 0.973 2.979 1.00 2.44 C ATOM 347 O GLU A 22 -10.263 1.177 2.347 1.00 33.15 O ATOM 348 CB GLU A 22 -8.576 -1.360 3.489 1.00 32.32 C ATOM 349 CG GLU A 22 -9.973 -1.974 3.261 1.00 42.41 C ATOM 350 CD GLU A 22 -10.163 -2.597 1.876 1.00 21.25 C ATOM 351 OE1 GLU A 22 -11.135 -2.211 1.179 1.00 70.43 O ATOM 352 OE2 GLU A 22 -9.348 -3.490 1.524 1.00 43.44 O ATOM 0 H GLU A 22 -6.403 -0.273 3.490 1.00 65.44 H new ATOM 0 HA GLU A 22 -8.397 -0.387 1.580 1.00 54.10 H new ATOM 0 HB2 GLU A 22 -7.822 -2.120 3.285 1.00 32.32 H new ATOM 0 HB3 GLU A 22 -8.480 -1.089 4.540 1.00 32.32 H new ATOM 0 HG2 GLU A 22 -10.151 -2.737 4.018 1.00 42.41 H new ATOM 0 HG3 GLU A 22 -10.726 -1.200 3.406 1.00 42.41 H new ATOM 359 N LEU A 23 -8.864 1.705 4.036 1.00 45.53 N ATOM 360 CA LEU A 23 -9.708 2.710 4.622 1.00 43.40 C ATOM 361 C LEU A 23 -9.447 4.040 3.940 1.00 22.41 C ATOM 362 O LEU A 23 -10.169 5.008 4.164 1.00 14.22 O ATOM 363 CB LEU A 23 -9.384 2.874 6.109 1.00 64.51 C ATOM 364 CG LEU A 23 -9.431 1.576 6.927 1.00 30.00 C ATOM 365 CD1 LEU A 23 -9.514 1.886 8.424 1.00 30.21 C ATOM 366 CD2 LEU A 23 -10.388 0.468 6.492 1.00 42.23 C ATOM 0 H LEU A 23 -7.962 1.603 4.501 1.00 45.53 H new ATOM 0 HA LEU A 23 -10.747 2.405 4.500 1.00 43.40 H new ATOM 0 HB2 LEU A 23 -8.390 3.310 6.203 1.00 64.51 H new ATOM 0 HB3 LEU A 23 -10.087 3.586 6.543 1.00 64.51 H new ATOM 0 HG LEU A 23 -8.478 1.103 6.692 1.00 30.00 H new ATOM 0 HD11 LEU A 23 -9.546 0.953 8.987 1.00 30.21 H new ATOM 0 HD12 LEU A 23 -8.639 2.462 8.725 1.00 30.21 H new ATOM 0 HD13 LEU A 23 -10.416 2.464 8.626 1.00 30.21 H new ATOM 0 HD21 LEU A 23 -10.299 -0.378 7.173 1.00 42.23 H new ATOM 0 HD22 LEU A 23 -11.411 0.843 6.511 1.00 42.23 H new ATOM 0 HD23 LEU A 23 -10.138 0.147 5.481 1.00 42.23 H new ATOM 378 N ASN A 24 -8.385 4.086 3.092 1.00 44.23 N ATOM 379 CA ASN A 24 -7.882 5.257 2.395 1.00 21.22 C ATOM 380 C ASN A 24 -7.474 6.386 3.344 1.00 44.43 C ATOM 381 O ASN A 24 -7.793 7.555 3.145 1.00 65.44 O ATOM 382 CB ASN A 24 -8.940 5.695 1.335 1.00 43.33 C ATOM 383 CG ASN A 24 -8.424 6.646 0.253 1.00 53.25 C ATOM 384 OD1 ASN A 24 -9.042 7.667 -0.055 1.00 50.21 O ATOM 385 ND2 ASN A 24 -7.284 6.274 -0.387 1.00 73.23 N ATOM 0 H ASN A 24 -7.840 3.251 2.878 1.00 44.23 H new ATOM 0 HA ASN A 24 -6.956 4.998 1.881 1.00 21.22 H new ATOM 0 HB2 ASN A 24 -9.338 4.802 0.852 1.00 43.33 H new ATOM 0 HB3 ASN A 24 -9.771 6.175 1.852 1.00 43.33 H new ATOM 0 HD21 ASN A 24 -6.916 6.846 -1.147 1.00 73.23 H new ATOM 0 HD22 ASN A 24 -6.797 5.423 -0.107 1.00 73.23 H new ATOM 392 N VAL A 25 -6.728 6.028 4.412 1.00 31.32 N ATOM 393 CA VAL A 25 -6.337 6.926 5.489 1.00 51.20 C ATOM 394 C VAL A 25 -4.823 7.069 5.526 1.00 52.43 C ATOM 395 O VAL A 25 -4.116 6.230 4.969 1.00 63.41 O ATOM 396 CB VAL A 25 -6.853 6.481 6.861 1.00 3.41 C ATOM 397 CG1 VAL A 25 -8.393 6.530 6.878 1.00 3.44 C ATOM 398 CG2 VAL A 25 -6.349 5.069 7.217 1.00 55.25 C ATOM 0 H VAL A 25 -6.378 5.078 4.540 1.00 31.32 H new ATOM 0 HA VAL A 25 -6.799 7.890 5.276 1.00 51.20 H new ATOM 0 HB VAL A 25 -6.466 7.166 7.615 1.00 3.41 H new ATOM 0 HG11 VAL A 25 -8.756 6.213 7.855 1.00 3.44 H new ATOM 0 HG12 VAL A 25 -8.727 7.549 6.680 1.00 3.44 H new ATOM 0 HG13 VAL A 25 -8.787 5.863 6.111 1.00 3.44 H new ATOM 0 HG21 VAL A 25 -6.732 4.782 8.196 1.00 55.25 H new ATOM 0 HG22 VAL A 25 -6.698 4.358 6.468 1.00 55.25 H new ATOM 0 HG23 VAL A 25 -5.259 5.066 7.239 1.00 55.25 H new ATOM 408 N PRO A 26 -4.255 8.118 6.121 1.00 3.20 N ATOM 409 CA PRO A 26 -2.814 8.247 6.276 1.00 42.43 C ATOM 410 C PRO A 26 -2.221 7.353 7.349 1.00 34.34 C ATOM 411 O PRO A 26 -2.911 6.809 8.211 1.00 72.51 O ATOM 412 CB PRO A 26 -2.619 9.735 6.625 1.00 1.01 C ATOM 413 CG PRO A 26 -3.913 10.122 7.336 1.00 25.54 C ATOM 414 CD PRO A 26 -4.961 9.324 6.565 1.00 71.42 C ATOM 0 HA PRO A 26 -2.296 7.932 5.370 1.00 42.43 H new ATOM 0 HB2 PRO A 26 -1.751 9.884 7.267 1.00 1.01 H new ATOM 0 HB3 PRO A 26 -2.460 10.337 5.730 1.00 1.01 H new ATOM 0 HG2 PRO A 26 -3.893 9.852 8.392 1.00 25.54 H new ATOM 0 HG3 PRO A 26 -4.100 11.195 7.284 1.00 25.54 H new ATOM 0 HD2 PRO A 26 -5.813 9.074 7.197 1.00 71.42 H new ATOM 0 HD3 PRO A 26 -5.347 9.891 5.718 1.00 71.42 H new ATOM 422 N ASP A 27 -0.876 7.251 7.304 1.00 51.44 N ATOM 423 CA ASP A 27 0.011 6.503 8.171 1.00 22.21 C ATOM 424 C ASP A 27 -0.073 7.056 9.590 1.00 75.24 C ATOM 425 O ASP A 27 0.089 6.344 10.576 1.00 65.33 O ATOM 426 CB ASP A 27 1.446 6.590 7.572 1.00 14.45 C ATOM 427 CG ASP A 27 2.448 5.663 8.256 1.00 60.33 C ATOM 428 OD1 ASP A 27 3.416 6.189 8.861 1.00 72.22 O ATOM 429 OD2 ASP A 27 2.260 4.426 8.142 1.00 21.01 O ATOM 0 H ASP A 27 -0.349 7.745 6.584 1.00 51.44 H new ATOM 0 HA ASP A 27 -0.274 5.453 8.230 1.00 22.21 H new ATOM 0 HB2 ASP A 27 1.404 6.346 6.510 1.00 14.45 H new ATOM 0 HB3 ASP A 27 1.802 7.617 7.649 1.00 14.45 H new ATOM 434 N ALA A 28 -0.368 8.367 9.688 1.00 25.33 N ATOM 435 CA ALA A 28 -0.608 9.110 10.896 1.00 42.21 C ATOM 436 C ALA A 28 -1.776 8.602 11.723 1.00 51.53 C ATOM 437 O ALA A 28 -1.752 8.676 12.949 1.00 23.31 O ATOM 438 CB ALA A 28 -0.864 10.585 10.543 1.00 43.05 C ATOM 0 H ALA A 28 -0.445 8.955 8.858 1.00 25.33 H new ATOM 0 HA ALA A 28 0.286 8.984 11.506 1.00 42.21 H new ATOM 0 HB1 ALA A 28 -1.046 11.151 11.456 1.00 43.05 H new ATOM 0 HB2 ALA A 28 0.007 10.993 10.031 1.00 43.05 H new ATOM 0 HB3 ALA A 28 -1.735 10.657 9.891 1.00 43.05 H new ATOM 444 N VAL A 29 -2.859 8.094 11.100 1.00 22.31 N ATOM 445 CA VAL A 29 -4.026 7.781 11.903 1.00 3.33 C ATOM 446 C VAL A 29 -4.082 6.318 12.272 1.00 12.35 C ATOM 447 O VAL A 29 -4.678 5.959 13.283 1.00 52.11 O ATOM 448 CB VAL A 29 -5.322 8.194 11.260 1.00 64.54 C ATOM 449 CG1 VAL A 29 -5.276 9.675 10.824 1.00 71.53 C ATOM 450 CG2 VAL A 29 -5.852 7.204 10.220 1.00 2.54 C ATOM 0 H VAL A 29 -2.938 7.905 10.101 1.00 22.31 H new ATOM 0 HA VAL A 29 -3.910 8.372 12.812 1.00 3.33 H new ATOM 0 HB VAL A 29 -6.099 8.140 12.022 1.00 64.54 H new ATOM 0 HG11 VAL A 29 -6.225 9.948 10.362 1.00 71.53 H new ATOM 0 HG12 VAL A 29 -5.102 10.306 11.696 1.00 71.53 H new ATOM 0 HG13 VAL A 29 -4.469 9.818 10.106 1.00 71.53 H new ATOM 0 HG21 VAL A 29 -6.788 7.578 9.806 1.00 2.54 H new ATOM 0 HG22 VAL A 29 -5.121 7.091 9.420 1.00 2.54 H new ATOM 0 HG23 VAL A 29 -6.025 6.237 10.693 1.00 2.54 H new ATOM 460 N MET A 30 -3.430 5.412 11.509 1.00 20.45 N ATOM 461 CA MET A 30 -3.310 4.029 11.952 1.00 61.20 C ATOM 462 C MET A 30 -2.394 3.932 13.171 1.00 14.43 C ATOM 463 O MET A 30 -2.594 3.108 14.059 1.00 73.01 O ATOM 464 CB MET A 30 -2.822 3.090 10.815 1.00 15.44 C ATOM 465 CG MET A 30 -1.333 3.210 10.440 1.00 5.13 C ATOM 466 SD MET A 30 -0.257 2.049 11.353 1.00 15.34 S ATOM 467 CE MET A 30 1.334 2.676 10.754 1.00 73.13 C ATOM 0 H MET A 30 -2.994 5.617 10.610 1.00 20.45 H new ATOM 0 HA MET A 30 -4.307 3.692 12.238 1.00 61.20 H new ATOM 0 HB2 MET A 30 -3.021 2.060 11.110 1.00 15.44 H new ATOM 0 HB3 MET A 30 -3.419 3.288 9.925 1.00 15.44 H new ATOM 0 HG2 MET A 30 -1.220 3.033 9.370 1.00 5.13 H new ATOM 0 HG3 MET A 30 -0.999 4.230 10.631 1.00 5.13 H new ATOM 0 HE1 MET A 30 2.145 2.119 11.224 1.00 73.13 H new ATOM 0 HE2 MET A 30 1.389 2.554 9.672 1.00 73.13 H new ATOM 0 HE3 MET A 30 1.426 3.733 11.005 1.00 73.13 H new ATOM 477 N GLN A 31 -1.382 4.835 13.266 1.00 10.41 N ATOM 478 CA GLN A 31 -0.464 4.899 14.381 1.00 72.43 C ATOM 479 C GLN A 31 -1.083 5.543 15.598 1.00 34.12 C ATOM 480 O GLN A 31 -0.629 5.341 16.723 1.00 44.44 O ATOM 481 CB GLN A 31 0.888 5.550 13.983 1.00 12.22 C ATOM 482 CG GLN A 31 0.987 7.046 13.633 1.00 14.51 C ATOM 483 CD GLN A 31 1.114 7.949 14.853 1.00 63.32 C ATOM 484 OE1 GLN A 31 2.133 7.976 15.546 1.00 35.41 O ATOM 485 NE2 GLN A 31 0.019 8.703 15.112 1.00 22.22 N ATOM 0 H GLN A 31 -1.198 5.537 12.550 1.00 10.41 H new ATOM 0 HA GLN A 31 -0.241 3.871 14.665 1.00 72.43 H new ATOM 0 HB2 GLN A 31 1.581 5.370 14.805 1.00 12.22 H new ATOM 0 HB3 GLN A 31 1.265 4.997 13.122 1.00 12.22 H new ATOM 0 HG2 GLN A 31 1.848 7.203 12.984 1.00 14.51 H new ATOM 0 HG3 GLN A 31 0.103 7.337 13.066 1.00 14.51 H new ATOM 0 HE21 GLN A 31 -0.798 8.641 14.505 1.00 22.22 H new ATOM 0 HE22 GLN A 31 0.012 9.333 15.914 1.00 22.22 H new ATOM 494 N ASP A 32 -2.209 6.271 15.414 1.00 53.41 N ATOM 495 CA ASP A 32 -3.020 6.761 16.519 1.00 32.24 C ATOM 496 C ASP A 32 -3.561 5.635 17.408 1.00 1.22 C ATOM 497 O ASP A 32 -3.596 5.767 18.627 1.00 1.52 O ATOM 498 CB ASP A 32 -4.216 7.608 16.028 1.00 15.12 C ATOM 499 CG ASP A 32 -3.877 9.007 15.531 1.00 43.10 C ATOM 500 OD1 ASP A 32 -2.767 9.512 15.830 1.00 33.42 O ATOM 501 OD2 ASP A 32 -4.783 9.605 14.886 1.00 34.42 O ATOM 0 H ASP A 32 -2.567 6.527 14.494 1.00 53.41 H new ATOM 0 HA ASP A 32 -2.345 7.381 17.108 1.00 32.24 H new ATOM 0 HB2 ASP A 32 -4.714 7.067 15.223 1.00 15.12 H new ATOM 0 HB3 ASP A 32 -4.934 7.696 16.844 1.00 15.12 H new ATOM 506 N PHE A 33 -3.950 4.489 16.813 1.00 11.55 N ATOM 507 CA PHE A 33 -4.274 3.247 17.507 1.00 23.20 C ATOM 508 C PHE A 33 -3.134 2.671 18.341 1.00 23.24 C ATOM 509 O PHE A 33 -3.341 2.175 19.440 1.00 11.10 O ATOM 510 CB PHE A 33 -4.861 2.251 16.471 1.00 72.12 C ATOM 511 CG PHE A 33 -4.971 0.805 16.883 1.00 33.04 C ATOM 512 CD1 PHE A 33 -4.187 -0.152 16.213 1.00 22.10 C ATOM 513 CD2 PHE A 33 -5.790 0.387 17.939 1.00 21.44 C ATOM 514 CE1 PHE A 33 -4.274 -1.509 16.544 1.00 20.42 C ATOM 515 CE2 PHE A 33 -5.909 -0.974 18.249 1.00 3.33 C ATOM 516 CZ PHE A 33 -5.151 -1.924 17.553 1.00 41.43 C ATOM 0 H PHE A 33 -4.047 4.411 15.801 1.00 11.55 H new ATOM 0 HA PHE A 33 -5.027 3.461 18.266 1.00 23.20 H new ATOM 0 HB2 PHE A 33 -5.856 2.599 16.196 1.00 72.12 H new ATOM 0 HB3 PHE A 33 -4.247 2.299 15.572 1.00 72.12 H new ATOM 0 HD1 PHE A 33 -3.510 0.164 15.434 1.00 22.10 H new ATOM 0 HD2 PHE A 33 -6.334 1.119 18.518 1.00 21.44 H new ATOM 0 HE1 PHE A 33 -3.666 -2.234 16.023 1.00 20.42 H new ATOM 0 HE2 PHE A 33 -6.587 -1.292 19.027 1.00 3.33 H new ATOM 0 HZ PHE A 33 -5.243 -2.973 17.794 1.00 41.43 H new ATOM 526 N PHE A 34 -1.890 2.702 17.851 1.00 22.41 N ATOM 527 CA PHE A 34 -0.732 2.299 18.645 1.00 44.12 C ATOM 528 C PHE A 34 -0.443 3.230 19.827 1.00 41.11 C ATOM 529 O PHE A 34 -0.162 2.776 20.935 1.00 25.10 O ATOM 530 CB PHE A 34 0.521 2.141 17.747 1.00 22.33 C ATOM 531 CG PHE A 34 0.328 0.909 16.901 1.00 40.44 C ATOM 532 CD1 PHE A 34 0.656 -0.354 17.427 1.00 51.11 C ATOM 533 CD2 PHE A 34 -0.260 0.978 15.628 1.00 54.01 C ATOM 534 CE1 PHE A 34 0.393 -1.521 16.699 1.00 12.45 C ATOM 535 CE2 PHE A 34 -0.523 -0.184 14.895 1.00 65.50 C ATOM 536 CZ PHE A 34 -0.200 -1.433 15.434 1.00 42.51 C ATOM 0 H PHE A 34 -1.662 3.004 16.904 1.00 22.41 H new ATOM 0 HA PHE A 34 -0.985 1.332 19.080 1.00 44.12 H new ATOM 0 HB2 PHE A 34 0.653 3.021 17.117 1.00 22.33 H new ATOM 0 HB3 PHE A 34 1.419 2.049 18.357 1.00 22.33 H new ATOM 0 HD1 PHE A 34 1.115 -0.424 18.402 1.00 51.11 H new ATOM 0 HD2 PHE A 34 -0.513 1.941 15.209 1.00 54.01 H new ATOM 0 HE1 PHE A 34 0.647 -2.486 17.112 1.00 12.45 H new ATOM 0 HE2 PHE A 34 -0.974 -0.117 13.916 1.00 65.50 H new ATOM 0 HZ PHE A 34 -0.409 -2.332 14.873 1.00 42.51 H new ATOM 546 N ASN A 35 -0.562 4.562 19.621 1.00 60.33 N ATOM 547 CA ASN A 35 -0.488 5.610 20.628 1.00 70.23 C ATOM 548 C ASN A 35 -1.615 5.572 21.651 1.00 55.53 C ATOM 549 O ASN A 35 -1.452 6.036 22.773 1.00 42.13 O ATOM 550 CB ASN A 35 -0.448 6.998 19.946 1.00 0.11 C ATOM 551 CG ASN A 35 0.940 7.273 19.363 1.00 71.50 C ATOM 552 OD1 ASN A 35 1.845 7.704 20.080 1.00 53.22 O ATOM 553 ND2 ASN A 35 1.120 7.023 18.046 1.00 54.33 N ATOM 0 H ASN A 35 -0.721 4.941 18.688 1.00 60.33 H new ATOM 0 HA ASN A 35 0.432 5.427 21.182 1.00 70.23 H new ATOM 0 HB2 ASN A 35 -1.196 7.042 19.154 1.00 0.11 H new ATOM 0 HB3 ASN A 35 -0.704 7.772 20.669 1.00 0.11 H new ATOM 0 HD21 ASN A 35 2.029 7.191 17.615 1.00 54.33 H new ATOM 0 HD22 ASN A 35 0.347 6.666 17.484 1.00 54.33 H new ATOM 560 N PHE A 36 -2.777 4.986 21.298 1.00 45.03 N ATOM 561 CA PHE A 36 -3.974 4.834 22.111 1.00 4.33 C ATOM 562 C PHE A 36 -3.700 4.106 23.413 1.00 25.22 C ATOM 563 O PHE A 36 -4.225 4.466 24.463 1.00 21.33 O ATOM 564 CB PHE A 36 -5.042 4.091 21.258 1.00 73.31 C ATOM 565 CG PHE A 36 -6.365 3.877 21.918 1.00 1.30 C ATOM 566 CD1 PHE A 36 -6.609 2.700 22.642 1.00 55.23 C ATOM 567 CD2 PHE A 36 -7.382 4.829 21.790 1.00 22.34 C ATOM 568 CE1 PHE A 36 -7.853 2.485 23.241 1.00 42.14 C ATOM 569 CE2 PHE A 36 -8.612 4.639 22.423 1.00 33.33 C ATOM 570 CZ PHE A 36 -8.844 3.460 23.134 1.00 50.53 C ATOM 0 H PHE A 36 -2.900 4.582 20.369 1.00 45.03 H new ATOM 0 HA PHE A 36 -4.340 5.820 22.398 1.00 4.33 H new ATOM 0 HB2 PHE A 36 -5.202 4.655 20.339 1.00 73.31 H new ATOM 0 HB3 PHE A 36 -4.639 3.120 20.970 1.00 73.31 H new ATOM 0 HD1 PHE A 36 -5.831 1.957 22.737 1.00 55.23 H new ATOM 0 HD2 PHE A 36 -7.215 5.717 21.198 1.00 22.34 H new ATOM 0 HE1 PHE A 36 -8.045 1.571 23.783 1.00 42.14 H new ATOM 0 HE2 PHE A 36 -9.378 5.398 22.363 1.00 33.33 H new ATOM 0 HZ PHE A 36 -9.802 3.301 23.607 1.00 50.53 H new ATOM 580 N TRP A 37 -2.866 3.048 23.368 1.00 33.02 N ATOM 581 CA TRP A 37 -2.584 2.211 24.515 1.00 33.11 C ATOM 582 C TRP A 37 -1.616 2.881 25.481 1.00 12.51 C ATOM 583 O TRP A 37 -1.442 2.418 26.608 1.00 24.41 O ATOM 584 CB TRP A 37 -2.006 0.849 24.063 1.00 64.33 C ATOM 585 CG TRP A 37 -2.932 0.110 23.112 1.00 63.00 C ATOM 586 CD1 TRP A 37 -2.711 -0.107 21.782 1.00 53.21 C ATOM 587 CD2 TRP A 37 -4.302 -0.266 23.362 1.00 14.34 C ATOM 588 NE1 TRP A 37 -3.835 -0.635 21.185 1.00 73.12 N ATOM 589 CE2 TRP A 37 -4.831 -0.718 22.132 1.00 15.34 C ATOM 590 CE3 TRP A 37 -5.094 -0.219 24.510 1.00 24.12 C ATOM 591 CZ2 TRP A 37 -6.159 -1.107 22.029 1.00 62.14 C ATOM 592 CZ3 TRP A 37 -6.443 -0.592 24.395 1.00 74.44 C ATOM 593 CH2 TRP A 37 -6.975 -1.001 23.164 1.00 74.51 C ATOM 0 H TRP A 37 -2.374 2.762 22.522 1.00 33.02 H new ATOM 0 HA TRP A 37 -3.528 2.051 25.037 1.00 33.11 H new ATOM 0 HB2 TRP A 37 -1.044 1.010 23.576 1.00 64.33 H new ATOM 0 HB3 TRP A 37 -1.820 0.228 24.939 1.00 64.33 H new ATOM 0 HD1 TRP A 37 -1.784 0.106 21.270 1.00 53.21 H new ATOM 0 HE1 TRP A 37 -3.915 -0.916 20.208 1.00 73.12 H new ATOM 0 HE3 TRP A 37 -4.682 0.095 25.458 1.00 24.12 H new ATOM 0 HZ2 TRP A 37 -6.554 -1.482 21.097 1.00 62.14 H new ATOM 0 HZ3 TRP A 37 -7.080 -0.563 25.267 1.00 74.44 H new ATOM 0 HH2 TRP A 37 -8.026 -1.237 23.089 1.00 74.51 H new ATOM 604 N LYS A 38 -0.956 3.993 25.063 1.00 1.43 N ATOM 605 CA LYS A 38 -0.065 4.761 25.924 1.00 42.31 C ATOM 606 C LYS A 38 -0.808 5.387 27.100 1.00 13.01 C ATOM 607 O LYS A 38 -1.792 6.111 26.941 1.00 42.23 O ATOM 608 CB LYS A 38 0.635 5.905 25.143 1.00 3.20 C ATOM 609 CG LYS A 38 1.679 6.743 25.914 1.00 2.04 C ATOM 610 CD LYS A 38 2.922 5.969 26.396 1.00 13.01 C ATOM 611 CE LYS A 38 3.787 5.400 25.269 1.00 54.43 C ATOM 612 NZ LYS A 38 4.928 4.668 25.854 1.00 21.22 N ATOM 0 H LYS A 38 -1.037 4.368 24.118 1.00 1.43 H new ATOM 0 HA LYS A 38 0.675 4.051 26.293 1.00 42.31 H new ATOM 0 HB2 LYS A 38 1.126 5.470 24.272 1.00 3.20 H new ATOM 0 HB3 LYS A 38 -0.134 6.581 24.771 1.00 3.20 H new ATOM 0 HG2 LYS A 38 2.007 7.562 25.274 1.00 2.04 H new ATOM 0 HG3 LYS A 38 1.192 7.191 26.780 1.00 2.04 H new ATOM 0 HD2 LYS A 38 3.534 6.632 27.008 1.00 13.01 H new ATOM 0 HD3 LYS A 38 2.599 5.150 27.039 1.00 13.01 H new ATOM 0 HE2 LYS A 38 3.195 4.733 24.642 1.00 54.43 H new ATOM 0 HE3 LYS A 38 4.146 6.205 24.628 1.00 54.43 H new ATOM 0 HZ1 LYS A 38 5.519 4.279 25.091 1.00 21.22 H new ATOM 0 HZ2 LYS A 38 5.496 5.317 26.435 1.00 21.22 H new ATOM 0 HZ3 LYS A 38 4.574 3.891 26.448 1.00 21.22 H new ATOM 626 N GLU A 39 -0.330 5.154 28.341 1.00 74.30 N ATOM 627 CA GLU A 39 -0.944 5.751 29.509 1.00 3.30 C ATOM 628 C GLU A 39 -0.601 7.228 29.597 1.00 10.42 C ATOM 629 O GLU A 39 0.547 7.633 29.432 1.00 21.01 O ATOM 630 CB GLU A 39 -0.522 5.038 30.816 1.00 63.32 C ATOM 631 CG GLU A 39 -1.021 3.573 30.875 1.00 2.31 C ATOM 632 CD GLU A 39 -0.661 2.910 32.201 1.00 0.23 C ATOM 633 OE1 GLU A 39 0.232 2.026 32.205 1.00 34.51 O ATOM 634 OE2 GLU A 39 -1.302 3.284 33.223 1.00 24.02 O ATOM 0 H GLU A 39 0.474 4.559 28.542 1.00 74.30 H new ATOM 0 HA GLU A 39 -2.022 5.635 29.397 1.00 3.30 H new ATOM 0 HB2 GLU A 39 0.565 5.053 30.901 1.00 63.32 H new ATOM 0 HB3 GLU A 39 -0.916 5.588 31.671 1.00 63.32 H new ATOM 0 HG2 GLU A 39 -2.102 3.551 30.738 1.00 2.31 H new ATOM 0 HG3 GLU A 39 -0.584 3.006 30.053 1.00 2.31 H new ATOM 641 N GLY A 40 -1.627 8.072 29.842 1.00 13.13 N ATOM 642 CA GLY A 40 -1.484 9.518 29.803 1.00 72.42 C ATOM 643 C GLY A 40 -1.881 10.119 28.481 1.00 11.01 C ATOM 644 O GLY A 40 -1.988 11.338 28.381 1.00 31.01 O ATOM 0 H GLY A 40 -2.570 7.757 30.071 1.00 13.13 H new ATOM 0 HA2 GLY A 40 -2.094 9.958 30.592 1.00 72.42 H new ATOM 0 HA3 GLY A 40 -0.448 9.780 30.017 1.00 72.42 H new ATOM 648 N TYR A 41 -2.127 9.302 27.430 1.00 11.51 N ATOM 649 CA TYR A 41 -2.560 9.795 26.135 1.00 51.45 C ATOM 650 C TYR A 41 -4.063 9.748 25.976 1.00 11.23 C ATOM 651 O TYR A 41 -4.738 8.804 26.381 1.00 11.10 O ATOM 652 CB TYR A 41 -1.906 9.037 24.949 1.00 24.14 C ATOM 653 CG TYR A 41 -0.478 9.446 24.653 1.00 74.52 C ATOM 654 CD1 TYR A 41 0.004 9.114 23.377 1.00 31.40 C ATOM 655 CD2 TYR A 41 0.372 10.167 25.520 1.00 41.45 C ATOM 656 CE1 TYR A 41 1.276 9.513 22.956 1.00 42.24 C ATOM 657 CE2 TYR A 41 1.656 10.553 25.106 1.00 51.22 C ATOM 658 CZ TYR A 41 2.106 10.230 23.822 1.00 41.12 C ATOM 659 OH TYR A 41 3.391 10.631 23.406 1.00 21.33 O ATOM 0 H TYR A 41 -2.026 8.288 27.473 1.00 11.51 H new ATOM 0 HA TYR A 41 -2.229 10.833 26.108 1.00 51.45 H new ATOM 0 HB2 TYR A 41 -1.928 7.968 25.161 1.00 24.14 H new ATOM 0 HB3 TYR A 41 -2.509 9.197 24.055 1.00 24.14 H new ATOM 0 HD1 TYR A 41 -0.620 8.540 22.708 1.00 31.40 H new ATOM 0 HD2 TYR A 41 0.030 10.424 26.512 1.00 41.45 H new ATOM 0 HE1 TYR A 41 1.617 9.267 21.961 1.00 42.24 H new ATOM 0 HE2 TYR A 41 2.298 11.101 25.780 1.00 51.22 H new ATOM 0 HH TYR A 41 3.832 11.120 24.132 1.00 21.33 H new ATOM 669 N GLN A 42 -4.628 10.819 25.372 1.00 13.00 N ATOM 670 CA GLN A 42 -6.019 10.878 24.991 1.00 63.45 C ATOM 671 C GLN A 42 -6.091 10.927 23.483 1.00 12.53 C ATOM 672 O GLN A 42 -5.716 11.915 22.854 1.00 4.15 O ATOM 673 CB GLN A 42 -6.772 12.119 25.554 1.00 0.23 C ATOM 674 CG GLN A 42 -6.937 12.159 27.094 1.00 31.12 C ATOM 675 CD GLN A 42 -5.704 12.702 27.825 1.00 70.11 C ATOM 676 OE1 GLN A 42 -5.461 13.910 27.854 1.00 22.01 O ATOM 677 NE2 GLN A 42 -4.913 11.784 28.434 1.00 3.04 N ATOM 0 H GLN A 42 -4.107 11.665 25.142 1.00 13.00 H new ATOM 0 HA GLN A 42 -6.503 9.995 25.408 1.00 63.45 H new ATOM 0 HB2 GLN A 42 -6.241 13.017 25.240 1.00 0.23 H new ATOM 0 HB3 GLN A 42 -7.762 12.158 25.099 1.00 0.23 H new ATOM 0 HG2 GLN A 42 -7.799 12.777 27.344 1.00 31.12 H new ATOM 0 HG3 GLN A 42 -7.151 11.153 27.455 1.00 31.12 H new ATOM 0 HE21 GLN A 42 -5.151 10.793 28.385 1.00 3.04 H new ATOM 0 HE22 GLN A 42 -4.080 12.084 28.941 1.00 3.04 H new ATOM 686 N ILE A 43 -6.613 9.851 22.868 1.00 50.01 N ATOM 687 CA ILE A 43 -6.911 9.799 21.452 1.00 72.24 C ATOM 688 C ILE A 43 -8.395 10.060 21.268 1.00 62.25 C ATOM 689 O ILE A 43 -9.247 9.368 21.822 1.00 51.53 O ATOM 690 CB ILE A 43 -6.547 8.450 20.883 1.00 71.12 C ATOM 691 CG1 ILE A 43 -5.048 8.130 21.079 1.00 72.15 C ATOM 692 CG2 ILE A 43 -6.957 8.309 19.398 1.00 51.21 C ATOM 693 CD1 ILE A 43 -4.045 9.019 20.332 1.00 42.04 C ATOM 0 H ILE A 43 -6.838 8.987 23.361 1.00 50.01 H new ATOM 0 HA ILE A 43 -6.328 10.554 20.925 1.00 72.24 H new ATOM 0 HB ILE A 43 -7.120 7.714 21.446 1.00 71.12 H new ATOM 0 HG12 ILE A 43 -4.825 8.188 22.144 1.00 72.15 H new ATOM 0 HG13 ILE A 43 -4.879 7.097 20.774 1.00 72.15 H new ATOM 0 HG21 ILE A 43 -6.674 7.321 19.035 1.00 51.21 H new ATOM 0 HG22 ILE A 43 -8.036 8.434 19.305 1.00 51.21 H new ATOM 0 HG23 ILE A 43 -6.451 9.072 18.807 1.00 51.21 H new ATOM 0 HD11 ILE A 43 -3.030 8.689 20.555 1.00 42.04 H new ATOM 0 HD12 ILE A 43 -4.223 8.946 19.259 1.00 42.04 H new ATOM 0 HD13 ILE A 43 -4.168 10.054 20.651 1.00 42.04 H new ATOM 705 N THR A 44 -8.724 11.099 20.476 1.00 33.44 N ATOM 706 CA THR A 44 -10.076 11.592 20.247 1.00 71.34 C ATOM 707 C THR A 44 -10.472 11.471 18.791 1.00 32.23 C ATOM 708 O THR A 44 -11.583 11.833 18.410 1.00 74.00 O ATOM 709 CB THR A 44 -10.249 13.042 20.693 1.00 33.20 C ATOM 710 OG1 THR A 44 -9.319 13.910 20.051 1.00 40.34 O ATOM 711 CG2 THR A 44 -10.051 13.164 22.216 1.00 61.53 C ATOM 0 H THR A 44 -8.021 11.631 19.963 1.00 33.44 H new ATOM 0 HA THR A 44 -10.729 10.964 20.853 1.00 71.34 H new ATOM 0 HB THR A 44 -11.261 13.338 20.415 1.00 33.20 H new ATOM 0 HG1 THR A 44 -9.462 14.829 20.360 1.00 40.34 H new ATOM 0 HG21 THR A 44 -10.178 14.204 22.517 1.00 61.53 H new ATOM 0 HG22 THR A 44 -10.787 12.545 22.729 1.00 61.53 H new ATOM 0 HG23 THR A 44 -9.048 12.829 22.480 1.00 61.53 H new ATOM 719 N ASN A 45 -9.556 10.985 17.924 1.00 43.25 N ATOM 720 CA ASN A 45 -9.677 11.093 16.493 1.00 13.33 C ATOM 721 C ASN A 45 -10.504 9.964 15.926 1.00 12.21 C ATOM 722 O ASN A 45 -10.235 8.792 16.162 1.00 53.41 O ATOM 723 CB ASN A 45 -8.269 11.129 15.842 1.00 31.33 C ATOM 724 CG ASN A 45 -8.353 11.515 14.365 1.00 45.20 C ATOM 725 OD1 ASN A 45 -9.214 12.299 13.960 1.00 13.51 O ATOM 726 ND2 ASN A 45 -7.459 10.923 13.540 1.00 1.02 N ATOM 0 H ASN A 45 -8.708 10.504 18.225 1.00 43.25 H new ATOM 0 HA ASN A 45 -10.194 12.024 16.262 1.00 13.33 H new ATOM 0 HB2 ASN A 45 -7.638 11.843 16.372 1.00 31.33 H new ATOM 0 HB3 ASN A 45 -7.795 10.152 15.939 1.00 31.33 H new ATOM 0 HD21 ASN A 45 -7.481 11.119 12.539 1.00 1.02 H new ATOM 0 HD22 ASN A 45 -6.763 10.280 13.919 1.00 1.02 H new ATOM 733 N ARG A 46 -11.501 10.314 15.093 1.00 44.43 N ATOM 734 CA ARG A 46 -12.477 9.425 14.501 1.00 42.32 C ATOM 735 C ARG A 46 -11.888 8.339 13.635 1.00 43.22 C ATOM 736 O ARG A 46 -12.377 7.214 13.602 1.00 31.43 O ATOM 737 CB ARG A 46 -13.472 10.269 13.705 1.00 63.14 C ATOM 738 CG ARG A 46 -12.847 11.041 12.536 1.00 1.33 C ATOM 739 CD ARG A 46 -13.847 12.038 11.946 1.00 2.43 C ATOM 740 NE ARG A 46 -13.961 13.241 12.849 1.00 44.40 N ATOM 741 CZ ARG A 46 -14.980 13.438 13.741 1.00 53.13 C ATOM 742 NH1 ARG A 46 -16.030 12.570 13.810 1.00 64.45 N ATOM 743 NH2 ARG A 46 -14.922 14.505 14.589 1.00 62.42 N ATOM 0 H ARG A 46 -11.642 11.283 14.808 1.00 44.43 H new ATOM 0 HA ARG A 46 -12.969 8.894 15.316 1.00 42.32 H new ATOM 0 HB2 ARG A 46 -14.256 9.618 13.318 1.00 63.14 H new ATOM 0 HB3 ARG A 46 -13.951 10.979 14.380 1.00 63.14 H new ATOM 0 HG2 ARG A 46 -11.958 11.570 12.878 1.00 1.33 H new ATOM 0 HG3 ARG A 46 -12.525 10.342 11.764 1.00 1.33 H new ATOM 0 HD2 ARG A 46 -13.523 12.347 10.952 1.00 2.43 H new ATOM 0 HD3 ARG A 46 -14.822 11.564 11.831 1.00 2.43 H new ATOM 0 HE ARG A 46 -13.233 13.953 12.791 1.00 44.40 H new ATOM 0 HH11 ARG A 46 -16.063 11.760 13.191 1.00 64.45 H new ATOM 0 HH12 ARG A 46 -16.782 12.731 14.480 1.00 64.45 H new ATOM 0 HH21 ARG A 46 -14.127 15.143 14.553 1.00 62.42 H new ATOM 0 HH22 ARG A 46 -15.674 14.665 15.259 1.00 62.42 H new ATOM 757 N GLU A 47 -10.750 8.626 12.978 1.00 63.13 N ATOM 758 CA GLU A 47 -9.965 7.641 12.290 1.00 32.23 C ATOM 759 C GLU A 47 -9.404 6.562 13.156 1.00 72.45 C ATOM 760 O GLU A 47 -9.236 5.444 12.680 1.00 54.44 O ATOM 761 CB GLU A 47 -8.819 8.281 11.508 1.00 11.15 C ATOM 762 CG GLU A 47 -9.245 8.859 10.146 1.00 34.55 C ATOM 763 CD GLU A 47 -8.362 9.973 9.596 1.00 53.01 C ATOM 764 OE1 GLU A 47 -8.185 10.987 10.323 1.00 21.32 O ATOM 765 OE2 GLU A 47 -7.872 9.828 8.447 1.00 64.24 O ATOM 0 H GLU A 47 -10.363 9.568 12.922 1.00 63.13 H new ATOM 0 HA GLU A 47 -10.679 7.169 11.615 1.00 32.23 H new ATOM 0 HB2 GLU A 47 -8.381 9.077 12.110 1.00 11.15 H new ATOM 0 HB3 GLU A 47 -8.039 7.536 11.349 1.00 11.15 H new ATOM 0 HG2 GLU A 47 -9.269 8.047 9.419 1.00 34.55 H new ATOM 0 HG3 GLU A 47 -10.263 9.238 10.235 1.00 34.55 H new ATOM 772 N ALA A 48 -9.120 6.852 14.442 1.00 51.13 N ATOM 773 CA ALA A 48 -8.634 5.814 15.342 1.00 51.44 C ATOM 774 C ALA A 48 -9.632 4.667 15.459 1.00 22.24 C ATOM 775 O ALA A 48 -9.266 3.507 15.354 1.00 51.35 O ATOM 776 CB ALA A 48 -8.336 6.341 16.769 1.00 52.23 C ATOM 0 H ALA A 48 -9.219 7.776 14.863 1.00 51.13 H new ATOM 0 HA ALA A 48 -7.703 5.463 14.898 1.00 51.44 H new ATOM 0 HB1 ALA A 48 -7.978 5.522 17.392 1.00 52.23 H new ATOM 0 HB2 ALA A 48 -7.574 7.118 16.718 1.00 52.23 H new ATOM 0 HB3 ALA A 48 -9.247 6.754 17.202 1.00 52.23 H new ATOM 782 N GLY A 49 -10.947 4.954 15.572 1.00 24.11 N ATOM 783 CA GLY A 49 -11.981 3.923 15.590 1.00 43.35 C ATOM 784 C GLY A 49 -12.087 3.180 14.304 1.00 33.13 C ATOM 785 O GLY A 49 -12.316 1.975 14.305 1.00 5.21 O ATOM 0 H GLY A 49 -11.309 5.904 15.652 1.00 24.11 H new ATOM 0 HA2 GLY A 49 -11.769 3.218 16.394 1.00 43.35 H new ATOM 0 HA3 GLY A 49 -12.942 4.385 15.816 1.00 43.35 H new ATOM 789 N CYS A 50 -11.924 3.900 13.169 1.00 64.03 N ATOM 790 CA CYS A 50 -12.019 3.354 11.833 1.00 21.21 C ATOM 791 C CYS A 50 -10.936 2.325 11.588 1.00 31.34 C ATOM 792 O CYS A 50 -11.202 1.277 11.005 1.00 12.24 O ATOM 793 CB CYS A 50 -11.928 4.459 10.748 1.00 5.13 C ATOM 794 SG CYS A 50 -13.338 5.625 10.706 1.00 43.32 S ATOM 0 H CYS A 50 -11.718 4.899 13.179 1.00 64.03 H new ATOM 0 HA CYS A 50 -12.996 2.877 11.760 1.00 21.21 H new ATOM 0 HB2 CYS A 50 -11.011 5.027 10.906 1.00 5.13 H new ATOM 0 HB3 CYS A 50 -11.842 3.982 9.772 1.00 5.13 H new ATOM 799 N VAL A 51 -9.686 2.576 12.054 1.00 73.40 N ATOM 800 CA VAL A 51 -8.650 1.554 12.015 1.00 53.10 C ATOM 801 C VAL A 51 -8.956 0.420 12.953 1.00 2.42 C ATOM 802 O VAL A 51 -8.875 -0.733 12.557 1.00 61.55 O ATOM 803 CB VAL A 51 -7.220 2.110 12.176 1.00 2.02 C ATOM 804 CG1 VAL A 51 -7.001 3.016 13.400 1.00 3.01 C ATOM 805 CG2 VAL A 51 -6.209 0.957 12.359 1.00 72.54 C ATOM 0 H VAL A 51 -9.390 3.467 12.452 1.00 73.40 H new ATOM 0 HA VAL A 51 -8.666 1.142 11.006 1.00 53.10 H new ATOM 0 HB VAL A 51 -7.074 2.692 11.266 1.00 2.02 H new ATOM 0 HG11 VAL A 51 -5.965 3.354 13.422 1.00 3.01 H new ATOM 0 HG12 VAL A 51 -7.663 3.880 13.337 1.00 3.01 H new ATOM 0 HG13 VAL A 51 -7.220 2.457 14.310 1.00 3.01 H new ATOM 0 HG21 VAL A 51 -5.205 1.367 12.471 1.00 72.54 H new ATOM 0 HG22 VAL A 51 -6.468 0.384 13.249 1.00 72.54 H new ATOM 0 HG23 VAL A 51 -6.239 0.305 11.486 1.00 72.54 H new ATOM 815 N ILE A 52 -9.427 0.698 14.181 1.00 21.41 N ATOM 816 CA ILE A 52 -9.638 -0.313 15.213 1.00 23.43 C ATOM 817 C ILE A 52 -10.626 -1.382 14.787 1.00 61.42 C ATOM 818 O ILE A 52 -10.370 -2.578 14.921 1.00 43.12 O ATOM 819 CB ILE A 52 -10.096 0.351 16.512 1.00 44.53 C ATOM 820 CG1 ILE A 52 -8.938 1.142 17.152 1.00 22.13 C ATOM 821 CG2 ILE A 52 -10.688 -0.687 17.488 1.00 64.04 C ATOM 822 CD1 ILE A 52 -9.266 2.258 18.165 1.00 41.44 C ATOM 0 H ILE A 52 -9.672 1.642 14.481 1.00 21.41 H new ATOM 0 HA ILE A 52 -8.683 -0.813 15.377 1.00 23.43 H new ATOM 0 HB ILE A 52 -10.891 1.059 16.276 1.00 44.53 H new ATOM 0 HG12 ILE A 52 -8.286 0.425 17.651 1.00 22.13 H new ATOM 0 HG13 ILE A 52 -8.359 1.590 16.344 1.00 22.13 H new ATOM 0 HG21 ILE A 52 -11.005 -0.187 18.403 1.00 64.04 H new ATOM 0 HG22 ILE A 52 -11.546 -1.174 17.025 1.00 64.04 H new ATOM 0 HG23 ILE A 52 -9.932 -1.435 17.727 1.00 64.04 H new ATOM 0 HD11 ILE A 52 -8.340 2.712 18.518 1.00 41.44 H new ATOM 0 HD12 ILE A 52 -9.882 3.017 17.683 1.00 41.44 H new ATOM 0 HD13 ILE A 52 -9.808 1.834 19.011 1.00 41.44 H new ATOM 834 N LEU A 53 -11.768 -0.964 14.214 1.00 22.14 N ATOM 835 CA LEU A 53 -12.807 -1.858 13.759 1.00 33.23 C ATOM 836 C LEU A 53 -12.425 -2.702 12.567 1.00 30.30 C ATOM 837 O LEU A 53 -12.899 -3.823 12.394 1.00 3.51 O ATOM 838 CB LEU A 53 -14.115 -1.057 13.541 1.00 0.45 C ATOM 839 CG LEU A 53 -14.155 0.048 12.458 1.00 64.24 C ATOM 840 CD1 LEU A 53 -14.138 -0.453 11.004 1.00 23.10 C ATOM 841 CD2 LEU A 53 -15.404 0.920 12.683 1.00 35.20 C ATOM 0 H LEU A 53 -11.983 0.021 14.059 1.00 22.14 H new ATOM 0 HA LEU A 53 -12.971 -2.595 14.545 1.00 33.23 H new ATOM 0 HB2 LEU A 53 -14.903 -1.773 13.307 1.00 0.45 H new ATOM 0 HB3 LEU A 53 -14.378 -0.593 14.492 1.00 0.45 H new ATOM 0 HG LEU A 53 -13.231 0.613 12.577 1.00 64.24 H new ATOM 0 HD11 LEU A 53 -14.169 0.399 10.325 1.00 23.10 H new ATOM 0 HD12 LEU A 53 -13.227 -1.025 10.827 1.00 23.10 H new ATOM 0 HD13 LEU A 53 -15.006 -1.089 10.828 1.00 23.10 H new ATOM 0 HD21 LEU A 53 -15.443 1.703 11.925 1.00 35.20 H new ATOM 0 HD22 LEU A 53 -16.298 0.301 12.611 1.00 35.20 H new ATOM 0 HD23 LEU A 53 -15.357 1.375 13.672 1.00 35.20 H new ATOM 853 N CYS A 54 -11.510 -2.171 11.736 1.00 24.13 N ATOM 854 CA CYS A 54 -10.920 -2.849 10.601 1.00 43.42 C ATOM 855 C CYS A 54 -10.122 -4.070 11.011 1.00 64.32 C ATOM 856 O CYS A 54 -10.277 -5.114 10.375 1.00 61.25 O ATOM 857 CB CYS A 54 -10.067 -1.885 9.735 1.00 71.24 C ATOM 858 SG CYS A 54 -9.328 -2.643 8.249 1.00 61.11 S ATOM 0 H CYS A 54 -11.158 -1.221 11.854 1.00 24.13 H new ATOM 0 HA CYS A 54 -11.749 -3.201 9.986 1.00 43.42 H new ATOM 0 HB2 CYS A 54 -10.692 -1.047 9.426 1.00 71.24 H new ATOM 0 HB3 CYS A 54 -9.268 -1.475 10.352 1.00 71.24 H new ATOM 863 N LEU A 55 -9.285 -4.038 12.094 1.00 31.33 N ATOM 864 CA LEU A 55 -8.578 -5.223 12.503 1.00 32.13 C ATOM 865 C LEU A 55 -9.481 -6.348 12.883 1.00 5.32 C ATOM 866 O LEU A 55 -9.189 -7.486 12.564 1.00 13.41 O ATOM 867 CB LEU A 55 -7.686 -4.838 13.652 1.00 52.14 C ATOM 868 CG LEU A 55 -6.472 -3.998 13.206 1.00 22.10 C ATOM 869 CD1 LEU A 55 -5.463 -4.819 12.391 1.00 51.14 C ATOM 870 CD2 LEU A 55 -6.656 -2.613 12.592 1.00 52.41 C ATOM 0 H LEU A 55 -9.108 -3.212 12.665 1.00 31.33 H new ATOM 0 HA LEU A 55 -7.999 -5.597 11.659 1.00 32.13 H new ATOM 0 HB2 LEU A 55 -8.265 -4.273 14.383 1.00 52.14 H new ATOM 0 HB3 LEU A 55 -7.334 -5.740 14.152 1.00 52.14 H new ATOM 0 HG LEU A 55 -6.089 -3.735 14.192 1.00 22.10 H new ATOM 0 HD11 LEU A 55 -4.627 -4.183 12.100 1.00 51.14 H new ATOM 0 HD12 LEU A 55 -5.096 -5.648 12.996 1.00 51.14 H new ATOM 0 HD13 LEU A 55 -5.949 -5.210 11.497 1.00 51.14 H new ATOM 0 HD21 LEU A 55 -5.681 -2.191 12.348 1.00 52.41 H new ATOM 0 HD22 LEU A 55 -7.254 -2.694 11.684 1.00 52.41 H new ATOM 0 HD23 LEU A 55 -7.164 -1.964 13.305 1.00 52.41 H new ATOM 882 N ALA A 56 -10.625 -6.044 13.502 1.00 15.43 N ATOM 883 CA ALA A 56 -11.574 -7.014 14.001 1.00 74.21 C ATOM 884 C ALA A 56 -12.086 -8.009 12.995 1.00 40.15 C ATOM 885 O ALA A 56 -12.250 -9.191 13.285 1.00 54.31 O ATOM 886 CB ALA A 56 -12.782 -6.298 14.619 1.00 62.10 C ATOM 0 H ALA A 56 -10.916 -5.081 13.670 1.00 15.43 H new ATOM 0 HA ALA A 56 -11.007 -7.587 14.735 1.00 74.21 H new ATOM 0 HB1 ALA A 56 -13.491 -7.037 14.992 1.00 62.10 H new ATOM 0 HB2 ALA A 56 -12.449 -5.667 15.443 1.00 62.10 H new ATOM 0 HB3 ALA A 56 -13.266 -5.681 13.862 1.00 62.10 H new ATOM 892 N LYS A 57 -12.333 -7.544 11.765 1.00 74.04 N ATOM 893 CA LYS A 57 -12.654 -8.432 10.664 1.00 14.51 C ATOM 894 C LYS A 57 -11.443 -9.252 10.234 1.00 61.35 C ATOM 895 O LYS A 57 -11.516 -10.451 9.966 1.00 72.14 O ATOM 896 CB LYS A 57 -13.195 -7.623 9.458 1.00 44.05 C ATOM 897 CG LYS A 57 -14.559 -6.963 9.740 1.00 44.24 C ATOM 898 CD LYS A 57 -15.102 -6.118 8.568 1.00 32.21 C ATOM 899 CE LYS A 57 -15.443 -6.887 7.287 1.00 72.10 C ATOM 900 NZ LYS A 57 -16.539 -7.843 7.536 1.00 61.14 N ATOM 0 H LYS A 57 -12.314 -6.555 11.516 1.00 74.04 H new ATOM 0 HA LYS A 57 -13.424 -9.121 11.012 1.00 14.51 H new ATOM 0 HB2 LYS A 57 -12.472 -6.852 9.191 1.00 44.05 H new ATOM 0 HB3 LYS A 57 -13.288 -8.284 8.596 1.00 44.05 H new ATOM 0 HG2 LYS A 57 -15.284 -7.740 9.981 1.00 44.24 H new ATOM 0 HG3 LYS A 57 -14.468 -6.328 10.621 1.00 44.24 H new ATOM 0 HD2 LYS A 57 -15.999 -5.598 8.906 1.00 32.21 H new ATOM 0 HD3 LYS A 57 -14.364 -5.354 8.324 1.00 32.21 H new ATOM 0 HE2 LYS A 57 -15.733 -6.188 6.502 1.00 72.10 H new ATOM 0 HE3 LYS A 57 -14.562 -7.420 6.930 1.00 72.10 H new ATOM 0 HZ1 LYS A 57 -16.804 -8.307 6.644 1.00 61.14 H new ATOM 0 HZ2 LYS A 57 -16.225 -8.561 8.220 1.00 61.14 H new ATOM 0 HZ3 LYS A 57 -17.362 -7.336 7.920 1.00 61.14 H new ATOM 914 N LYS A 58 -10.267 -8.600 10.175 1.00 41.12 N ATOM 915 CA LYS A 58 -9.053 -9.123 9.600 1.00 12.41 C ATOM 916 C LYS A 58 -8.165 -9.833 10.620 1.00 75.01 C ATOM 917 O LYS A 58 -6.955 -9.631 10.685 1.00 55.24 O ATOM 918 CB LYS A 58 -8.304 -7.970 8.893 1.00 3.22 C ATOM 919 CG LYS A 58 -9.055 -7.400 7.675 1.00 2.41 C ATOM 920 CD LYS A 58 -8.217 -6.376 6.889 1.00 54.41 C ATOM 921 CE LYS A 58 -8.954 -5.703 5.726 1.00 4.31 C ATOM 922 NZ LYS A 58 -9.207 -6.673 4.642 1.00 44.55 N ATOM 0 H LYS A 58 -10.151 -7.657 10.547 1.00 41.12 H new ATOM 0 HA LYS A 58 -9.320 -9.891 8.873 1.00 12.41 H new ATOM 0 HB2 LYS A 58 -8.130 -7.168 9.610 1.00 3.22 H new ATOM 0 HB3 LYS A 58 -7.326 -8.327 8.571 1.00 3.22 H new ATOM 0 HG2 LYS A 58 -9.338 -8.218 7.012 1.00 2.41 H new ATOM 0 HG3 LYS A 58 -9.978 -6.927 8.011 1.00 2.41 H new ATOM 0 HD2 LYS A 58 -7.872 -5.605 7.577 1.00 54.41 H new ATOM 0 HD3 LYS A 58 -7.330 -6.875 6.499 1.00 54.41 H new ATOM 0 HE2 LYS A 58 -9.898 -5.288 6.078 1.00 4.31 H new ATOM 0 HE3 LYS A 58 -8.362 -4.870 5.346 1.00 4.31 H new ATOM 0 HZ1 LYS A 58 -9.707 -6.200 3.862 1.00 44.55 H new ATOM 0 HZ2 LYS A 58 -8.302 -7.050 4.295 1.00 44.55 H new ATOM 0 HZ3 LYS A 58 -9.791 -7.454 5.004 1.00 44.55 H new ATOM 936 N LEU A 59 -8.757 -10.754 11.411 1.00 12.11 N ATOM 937 CA LEU A 59 -8.052 -11.549 12.419 1.00 33.24 C ATOM 938 C LEU A 59 -7.620 -12.853 11.822 1.00 53.33 C ATOM 939 O LEU A 59 -6.747 -13.561 12.303 1.00 62.01 O ATOM 940 CB LEU A 59 -8.888 -11.937 13.649 1.00 64.11 C ATOM 941 CG LEU A 59 -9.430 -10.736 14.427 1.00 31.44 C ATOM 942 CD1 LEU A 59 -10.259 -11.192 15.638 1.00 63.42 C ATOM 943 CD2 LEU A 59 -8.511 -9.542 14.670 1.00 14.03 C ATOM 0 H LEU A 59 -9.754 -10.963 11.360 1.00 12.11 H new ATOM 0 HA LEU A 59 -7.233 -10.904 12.737 1.00 33.24 H new ATOM 0 HB2 LEU A 59 -9.724 -12.558 13.328 1.00 64.11 H new ATOM 0 HB3 LEU A 59 -8.277 -12.545 14.316 1.00 64.11 H new ATOM 0 HG LEU A 59 -10.103 -10.253 13.719 1.00 31.44 H new ATOM 0 HD11 LEU A 59 -10.632 -10.319 16.173 1.00 63.42 H new ATOM 0 HD12 LEU A 59 -11.100 -11.795 15.297 1.00 63.42 H new ATOM 0 HD13 LEU A 59 -9.633 -11.786 16.304 1.00 63.42 H new ATOM 0 HD21 LEU A 59 -9.047 -8.779 15.234 1.00 14.03 H new ATOM 0 HD22 LEU A 59 -7.637 -9.865 15.236 1.00 14.03 H new ATOM 0 HD23 LEU A 59 -8.191 -9.128 13.714 1.00 14.03 H new ATOM 955 N GLU A 60 -8.259 -13.168 10.698 1.00 2.53 N ATOM 956 CA GLU A 60 -8.054 -14.347 9.867 1.00 5.43 C ATOM 957 C GLU A 60 -6.646 -14.340 9.307 1.00 24.22 C ATOM 958 O GLU A 60 -6.016 -15.363 9.060 1.00 65.20 O ATOM 959 CB GLU A 60 -9.054 -14.384 8.684 1.00 12.42 C ATOM 960 CG GLU A 60 -10.516 -14.439 9.177 1.00 52.12 C ATOM 961 CD GLU A 60 -11.510 -14.821 8.079 1.00 13.31 C ATOM 962 OE1 GLU A 60 -11.390 -15.957 7.553 1.00 1.41 O ATOM 963 OE2 GLU A 60 -12.402 -13.988 7.777 1.00 24.41 O ATOM 0 H GLU A 60 -8.986 -12.561 10.319 1.00 2.53 H new ATOM 0 HA GLU A 60 -8.213 -15.225 10.493 1.00 5.43 H new ATOM 0 HB2 GLU A 60 -8.913 -13.502 8.060 1.00 12.42 H new ATOM 0 HB3 GLU A 60 -8.847 -15.253 8.059 1.00 12.42 H new ATOM 0 HG2 GLU A 60 -10.591 -15.159 9.992 1.00 52.12 H new ATOM 0 HG3 GLU A 60 -10.792 -13.466 9.585 1.00 52.12 H new ATOM 970 N LEU A 61 -6.179 -13.101 9.093 1.00 62.14 N ATOM 971 CA LEU A 61 -4.899 -12.673 8.579 1.00 33.34 C ATOM 972 C LEU A 61 -3.767 -12.977 9.554 1.00 63.24 C ATOM 973 O LEU A 61 -2.609 -13.117 9.166 1.00 54.52 O ATOM 974 CB LEU A 61 -4.872 -11.157 8.291 1.00 4.12 C ATOM 975 CG LEU A 61 -5.897 -10.573 7.282 1.00 21.35 C ATOM 976 CD1 LEU A 61 -5.260 -9.542 6.339 1.00 35.53 C ATOM 977 CD2 LEU A 61 -6.937 -11.492 6.615 1.00 60.30 C ATOM 0 H LEU A 61 -6.767 -12.295 9.305 1.00 62.14 H new ATOM 0 HA LEU A 61 -4.754 -13.230 7.653 1.00 33.34 H new ATOM 0 HB2 LEU A 61 -5.009 -10.638 9.239 1.00 4.12 H new ATOM 0 HB3 LEU A 61 -3.874 -10.906 7.931 1.00 4.12 H new ATOM 0 HG LEU A 61 -6.579 -10.059 7.959 1.00 21.35 H new ATOM 0 HD11 LEU A 61 -6.016 -9.162 5.652 1.00 35.53 H new ATOM 0 HD12 LEU A 61 -4.853 -8.717 6.924 1.00 35.53 H new ATOM 0 HD13 LEU A 61 -4.458 -10.015 5.771 1.00 35.53 H new ATOM 0 HD21 LEU A 61 -7.564 -10.905 5.944 1.00 60.30 H new ATOM 0 HD22 LEU A 61 -6.425 -12.269 6.047 1.00 60.30 H new ATOM 0 HD23 LEU A 61 -7.559 -11.954 7.382 1.00 60.30 H new ATOM 989 N LEU A 62 -4.097 -13.013 10.864 1.00 41.54 N ATOM 990 CA LEU A 62 -3.193 -13.155 11.987 1.00 41.55 C ATOM 991 C LEU A 62 -2.578 -14.535 12.065 1.00 22.35 C ATOM 992 O LEU A 62 -3.055 -15.522 11.510 1.00 34.32 O ATOM 993 CB LEU A 62 -3.888 -12.865 13.347 1.00 62.34 C ATOM 994 CG LEU A 62 -4.462 -11.438 13.427 1.00 71.43 C ATOM 995 CD1 LEU A 62 -5.331 -11.192 14.671 1.00 60.03 C ATOM 996 CD2 LEU A 62 -3.381 -10.352 13.349 1.00 22.12 C ATOM 0 H LEU A 62 -5.068 -12.937 11.166 1.00 41.54 H new ATOM 0 HA LEU A 62 -2.411 -12.417 11.809 1.00 41.55 H new ATOM 0 HB2 LEU A 62 -4.692 -13.585 13.501 1.00 62.34 H new ATOM 0 HB3 LEU A 62 -3.171 -13.010 14.155 1.00 62.34 H new ATOM 0 HG LEU A 62 -5.100 -11.365 12.546 1.00 71.43 H new ATOM 0 HD11 LEU A 62 -5.700 -10.167 14.660 1.00 60.03 H new ATOM 0 HD12 LEU A 62 -6.175 -11.882 14.667 1.00 60.03 H new ATOM 0 HD13 LEU A 62 -4.735 -11.353 15.569 1.00 60.03 H new ATOM 0 HD21 LEU A 62 -3.848 -9.369 13.411 1.00 22.12 H new ATOM 0 HD22 LEU A 62 -2.682 -10.474 14.176 1.00 22.12 H new ATOM 0 HD23 LEU A 62 -2.844 -10.440 12.404 1.00 22.12 H new ATOM 1008 N ASP A 63 -1.430 -14.612 12.761 1.00 1.43 N ATOM 1009 CA ASP A 63 -0.656 -15.825 12.871 1.00 53.12 C ATOM 1010 C ASP A 63 -1.352 -16.841 13.772 1.00 71.33 C ATOM 1011 O ASP A 63 -1.720 -16.541 14.905 1.00 42.13 O ATOM 1012 CB ASP A 63 0.750 -15.501 13.429 1.00 65.15 C ATOM 1013 CG ASP A 63 1.516 -14.624 12.447 1.00 63.20 C ATOM 1014 OD1 ASP A 63 1.805 -15.109 11.324 1.00 0.53 O ATOM 1015 OD2 ASP A 63 1.806 -13.458 12.822 1.00 54.20 O ATOM 0 H ASP A 63 -1.025 -13.820 13.260 1.00 1.43 H new ATOM 0 HA ASP A 63 -0.561 -16.262 11.877 1.00 53.12 H new ATOM 0 HB2 ASP A 63 0.660 -14.992 14.389 1.00 65.15 H new ATOM 0 HB3 ASP A 63 1.300 -16.425 13.608 1.00 65.15 H new ATOM 1020 N GLN A 64 -1.492 -18.102 13.300 1.00 72.21 N ATOM 1021 CA GLN A 64 -2.235 -19.166 13.958 1.00 43.53 C ATOM 1022 C GLN A 64 -1.706 -19.529 15.338 1.00 42.52 C ATOM 1023 O GLN A 64 -2.458 -19.946 16.215 1.00 54.15 O ATOM 1024 CB GLN A 64 -2.310 -20.405 13.028 1.00 41.43 C ATOM 1025 CG GLN A 64 -3.106 -21.609 13.588 1.00 23.31 C ATOM 1026 CD GLN A 64 -4.572 -21.275 13.903 1.00 45.54 C ATOM 1027 OE1 GLN A 64 -5.394 -20.992 13.028 1.00 11.23 O ATOM 1028 NE2 GLN A 64 -4.922 -21.307 15.215 1.00 60.21 N ATOM 0 H GLN A 64 -1.071 -18.401 12.420 1.00 72.21 H new ATOM 0 HA GLN A 64 -3.241 -18.786 14.138 1.00 43.53 H new ATOM 0 HB2 GLN A 64 -2.760 -20.102 12.083 1.00 41.43 H new ATOM 0 HB3 GLN A 64 -1.295 -20.734 12.807 1.00 41.43 H new ATOM 0 HG2 GLN A 64 -3.074 -22.425 12.866 1.00 23.31 H new ATOM 0 HG3 GLN A 64 -2.619 -21.967 14.495 1.00 23.31 H new ATOM 0 HE21 GLN A 64 -4.227 -21.543 15.923 1.00 60.21 H new ATOM 0 HE22 GLN A 64 -5.880 -21.095 15.493 1.00 60.21 H new ATOM 1037 N ASP A 65 -0.398 -19.306 15.583 1.00 61.33 N ATOM 1038 CA ASP A 65 0.274 -19.520 16.853 1.00 32.22 C ATOM 1039 C ASP A 65 -0.336 -18.748 18.023 1.00 52.50 C ATOM 1040 O ASP A 65 -0.301 -19.240 19.147 1.00 22.00 O ATOM 1041 CB ASP A 65 1.769 -19.123 16.755 1.00 55.45 C ATOM 1042 CG ASP A 65 2.521 -20.108 15.872 1.00 41.41 C ATOM 1043 OD1 ASP A 65 2.646 -21.291 16.276 1.00 71.31 O ATOM 1044 OD2 ASP A 65 2.960 -19.676 14.774 1.00 64.12 O ATOM 0 H ASP A 65 0.233 -18.957 14.862 1.00 61.33 H new ATOM 0 HA ASP A 65 0.153 -20.584 17.055 1.00 32.22 H new ATOM 0 HB2 ASP A 65 1.859 -18.116 16.347 1.00 55.45 H new ATOM 0 HB3 ASP A 65 2.213 -19.104 17.750 1.00 55.45 H new ATOM 1049 N MET A 66 -0.906 -17.533 17.815 1.00 44.23 N ATOM 1050 CA MET A 66 -1.539 -16.816 18.918 1.00 42.22 C ATOM 1051 C MET A 66 -2.957 -17.306 19.168 1.00 21.02 C ATOM 1052 O MET A 66 -3.555 -16.988 20.194 1.00 75.33 O ATOM 1053 CB MET A 66 -1.551 -15.275 18.709 1.00 23.42 C ATOM 1054 CG MET A 66 -2.530 -14.710 17.659 1.00 53.03 C ATOM 1055 SD MET A 66 -2.473 -12.903 17.448 1.00 25.11 S ATOM 1056 CE MET A 66 -0.873 -12.828 16.595 1.00 75.13 C ATOM 0 H MET A 66 -0.934 -17.052 16.916 1.00 44.23 H new ATOM 0 HA MET A 66 -0.927 -17.031 19.794 1.00 42.22 H new ATOM 0 HB2 MET A 66 -1.777 -14.807 19.667 1.00 23.42 H new ATOM 0 HB3 MET A 66 -0.544 -14.964 18.432 1.00 23.42 H new ATOM 0 HG2 MET A 66 -2.320 -15.180 16.698 1.00 53.03 H new ATOM 0 HG3 MET A 66 -3.544 -14.996 17.938 1.00 53.03 H new ATOM 0 HE1 MET A 66 -0.753 -11.849 16.132 1.00 75.13 H new ATOM 0 HE2 MET A 66 -0.070 -12.990 17.314 1.00 75.13 H new ATOM 0 HE3 MET A 66 -0.834 -13.600 15.827 1.00 75.13 H new ATOM 1066 N ASN A 67 -3.493 -18.118 18.224 1.00 62.32 N ATOM 1067 CA ASN A 67 -4.813 -18.725 18.185 1.00 24.44 C ATOM 1068 C ASN A 67 -5.983 -17.744 18.093 1.00 33.02 C ATOM 1069 O ASN A 67 -7.088 -18.074 18.521 1.00 43.53 O ATOM 1070 CB ASN A 67 -5.056 -19.673 19.411 1.00 0.10 C ATOM 1071 CG ASN A 67 -4.134 -20.896 19.545 1.00 51.01 C ATOM 1072 OD1 ASN A 67 -4.101 -21.499 20.622 1.00 15.31 O ATOM 1073 ND2 ASN A 67 -3.387 -21.300 18.489 1.00 21.53 N ATOM 0 H ASN A 67 -2.948 -18.378 17.402 1.00 62.32 H new ATOM 0 HA ASN A 67 -4.799 -19.291 17.254 1.00 24.44 H new ATOM 0 HB2 ASN A 67 -4.965 -19.079 20.321 1.00 0.10 H new ATOM 0 HB3 ASN A 67 -6.085 -20.029 19.364 1.00 0.10 H new ATOM 0 HD21 ASN A 67 -2.782 -22.117 18.575 1.00 21.53 H new ATOM 0 HD22 ASN A 67 -3.429 -20.787 17.608 1.00 21.53 H new ATOM 1080 N LEU A 68 -5.823 -16.527 17.503 1.00 10.14 N ATOM 1081 CA LEU A 68 -6.951 -15.609 17.400 1.00 41.50 C ATOM 1082 C LEU A 68 -7.829 -15.996 16.231 1.00 44.43 C ATOM 1083 O LEU A 68 -7.380 -16.034 15.088 1.00 2.54 O ATOM 1084 CB LEU A 68 -6.539 -14.122 17.193 1.00 34.35 C ATOM 1085 CG LEU A 68 -7.521 -13.052 17.750 1.00 23.33 C ATOM 1086 CD1 LEU A 68 -7.225 -11.621 17.305 1.00 11.21 C ATOM 1087 CD2 LEU A 68 -8.987 -13.429 18.024 1.00 42.13 C ATOM 0 H LEU A 68 -4.947 -16.183 17.109 1.00 10.14 H new ATOM 0 HA LEU A 68 -7.473 -15.688 18.353 1.00 41.50 H new ATOM 0 HB2 LEU A 68 -5.565 -13.969 17.659 1.00 34.35 H new ATOM 0 HB3 LEU A 68 -6.412 -13.947 16.125 1.00 34.35 H new ATOM 0 HG LEU A 68 -7.236 -13.061 18.802 1.00 23.33 H new ATOM 0 HD11 LEU A 68 -7.960 -10.945 17.742 1.00 11.21 H new ATOM 0 HD12 LEU A 68 -6.227 -11.336 17.637 1.00 11.21 H new ATOM 0 HD13 LEU A 68 -7.277 -11.560 16.218 1.00 11.21 H new ATOM 0 HD21 LEU A 68 -9.521 -12.560 18.408 1.00 42.13 H new ATOM 0 HD22 LEU A 68 -9.456 -13.763 17.098 1.00 42.13 H new ATOM 0 HD23 LEU A 68 -9.025 -14.232 18.760 1.00 42.13 H new ATOM 1099 N HIS A 69 -9.124 -16.248 16.491 1.00 71.30 N ATOM 1100 CA HIS A 69 -10.109 -16.288 15.446 1.00 4.10 C ATOM 1101 C HIS A 69 -11.346 -15.643 15.993 1.00 64.20 C ATOM 1102 O HIS A 69 -11.591 -15.619 17.200 1.00 23.24 O ATOM 1103 CB HIS A 69 -10.420 -17.720 14.921 1.00 3.31 C ATOM 1104 CG HIS A 69 -9.295 -18.362 14.139 1.00 32.12 C ATOM 1105 ND1 HIS A 69 -9.166 -18.138 12.796 1.00 42.44 N ATOM 1106 CD2 HIS A 69 -8.291 -19.202 14.492 1.00 34.42 C ATOM 1107 CE1 HIS A 69 -8.135 -18.826 12.342 1.00 44.13 C ATOM 1108 NE2 HIS A 69 -7.586 -19.482 13.347 1.00 42.30 N ATOM 0 H HIS A 69 -9.493 -16.425 17.425 1.00 71.30 H new ATOM 0 HA HIS A 69 -9.718 -15.757 14.578 1.00 4.10 H new ATOM 0 HB2 HIS A 69 -10.666 -18.359 15.770 1.00 3.31 H new ATOM 0 HB3 HIS A 69 -11.306 -17.676 14.288 1.00 3.31 H new ATOM 0 HD2 HIS A 69 -8.085 -19.579 15.483 1.00 34.42 H new ATOM 0 HE1 HIS A 69 -7.796 -18.848 11.317 1.00 44.13 H new ATOM 0 HE2 HIS A 69 -6.773 -20.095 13.284 1.00 42.30 H new ATOM 1117 N HIS A 70 -12.125 -15.030 15.088 1.00 34.42 N ATOM 1118 CA HIS A 70 -13.290 -14.240 15.402 1.00 5.13 C ATOM 1119 C HIS A 70 -14.395 -15.082 16.014 1.00 13.10 C ATOM 1120 O HIS A 70 -14.711 -16.173 15.545 1.00 23.12 O ATOM 1121 CB HIS A 70 -13.773 -13.555 14.115 1.00 50.32 C ATOM 1122 CG HIS A 70 -14.882 -12.561 14.240 1.00 14.02 C ATOM 1123 ND1 HIS A 70 -16.204 -12.907 14.273 1.00 32.43 N ATOM 1124 CD2 HIS A 70 -14.823 -11.214 14.275 1.00 71.13 C ATOM 1125 CE1 HIS A 70 -16.926 -11.803 14.334 1.00 44.33 C ATOM 1126 NE2 HIS A 70 -16.111 -10.765 14.335 1.00 62.14 N ATOM 0 H HIS A 70 -11.941 -15.083 14.086 1.00 34.42 H new ATOM 0 HA HIS A 70 -13.022 -13.491 16.147 1.00 5.13 H new ATOM 0 HB2 HIS A 70 -12.920 -13.052 13.660 1.00 50.32 H new ATOM 0 HB3 HIS A 70 -14.093 -14.331 13.420 1.00 50.32 H new ATOM 0 HD2 HIS A 70 -13.929 -10.608 14.259 1.00 71.13 H new ATOM 0 HE1 HIS A 70 -18.004 -11.757 14.376 1.00 44.33 H new ATOM 0 HE2 HIS A 70 -16.397 -9.787 14.374 1.00 62.14 H new ATOM 1135 N GLY A 71 -14.991 -14.585 17.113 1.00 62.31 N ATOM 1136 CA GLY A 71 -16.066 -15.267 17.829 1.00 51.45 C ATOM 1137 C GLY A 71 -15.590 -16.228 18.891 1.00 13.13 C ATOM 1138 O GLY A 71 -16.371 -16.678 19.723 1.00 54.40 O ATOM 0 H GLY A 71 -14.732 -13.690 17.527 1.00 62.31 H new ATOM 0 HA2 GLY A 71 -16.709 -14.520 18.293 1.00 51.45 H new ATOM 0 HA3 GLY A 71 -16.678 -15.812 17.110 1.00 51.45 H new ATOM 1142 N LYS A 72 -14.283 -16.561 18.902 1.00 61.31 N ATOM 1143 CA LYS A 72 -13.690 -17.616 19.691 1.00 63.24 C ATOM 1144 C LYS A 72 -12.970 -17.037 20.891 1.00 61.33 C ATOM 1145 O LYS A 72 -12.080 -17.667 21.467 1.00 71.53 O ATOM 1146 CB LYS A 72 -12.690 -18.431 18.833 1.00 72.11 C ATOM 1147 CG LYS A 72 -13.311 -19.054 17.565 1.00 42.04 C ATOM 1148 CD LYS A 72 -14.496 -20.005 17.815 1.00 34.14 C ATOM 1149 CE LYS A 72 -14.139 -21.196 18.700 1.00 42.14 C ATOM 1150 NZ LYS A 72 -15.251 -22.166 18.713 1.00 30.00 N ATOM 0 H LYS A 72 -13.597 -16.069 18.329 1.00 61.31 H new ATOM 0 HA LYS A 72 -14.487 -18.274 20.036 1.00 63.24 H new ATOM 0 HB2 LYS A 72 -11.866 -17.781 18.539 1.00 72.11 H new ATOM 0 HB3 LYS A 72 -12.266 -19.227 19.446 1.00 72.11 H new ATOM 0 HG2 LYS A 72 -13.644 -18.249 16.910 1.00 42.04 H new ATOM 0 HG3 LYS A 72 -12.534 -19.600 17.030 1.00 42.04 H new ATOM 0 HD2 LYS A 72 -15.309 -19.447 18.280 1.00 34.14 H new ATOM 0 HD3 LYS A 72 -14.867 -20.371 16.858 1.00 34.14 H new ATOM 0 HE2 LYS A 72 -13.232 -21.675 18.331 1.00 42.14 H new ATOM 0 HE3 LYS A 72 -13.930 -20.856 19.714 1.00 42.14 H new ATOM 0 HZ1 LYS A 72 -15.000 -22.974 19.318 1.00 30.00 H new ATOM 0 HZ2 LYS A 72 -16.107 -21.708 19.085 1.00 30.00 H new ATOM 0 HZ3 LYS A 72 -15.431 -22.501 17.745 1.00 30.00 H new ATOM 1164 N ALA A 73 -13.359 -15.811 21.315 1.00 20.33 N ATOM 1165 CA ALA A 73 -12.698 -15.026 22.333 1.00 53.03 C ATOM 1166 C ALA A 73 -12.571 -15.718 23.646 1.00 41.42 C ATOM 1167 O ALA A 73 -11.499 -15.672 24.228 1.00 4.30 O ATOM 1168 CB ALA A 73 -13.455 -13.735 22.628 1.00 73.12 C ATOM 0 H ALA A 73 -14.178 -15.341 20.928 1.00 20.33 H new ATOM 0 HA ALA A 73 -11.710 -14.842 21.911 1.00 53.03 H new ATOM 0 HB1 ALA A 73 -12.928 -13.172 23.398 1.00 73.12 H new ATOM 0 HB2 ALA A 73 -13.519 -13.135 21.720 1.00 73.12 H new ATOM 0 HB3 ALA A 73 -14.460 -13.974 22.977 1.00 73.12 H new ATOM 1174 N MET A 74 -13.620 -16.406 24.133 1.00 53.53 N ATOM 1175 CA MET A 74 -13.531 -17.058 25.428 1.00 71.41 C ATOM 1176 C MET A 74 -12.435 -18.124 25.473 1.00 32.24 C ATOM 1177 O MET A 74 -11.699 -18.225 26.451 1.00 40.02 O ATOM 1178 CB MET A 74 -14.866 -17.710 25.868 1.00 52.23 C ATOM 1179 CG MET A 74 -15.973 -16.686 26.190 1.00 1.04 C ATOM 1180 SD MET A 74 -17.497 -17.416 26.870 1.00 24.20 S ATOM 1181 CE MET A 74 -16.826 -17.855 28.504 1.00 14.31 C ATOM 0 H MET A 74 -14.514 -16.517 23.654 1.00 53.53 H new ATOM 0 HA MET A 74 -13.283 -16.255 26.122 1.00 71.41 H new ATOM 0 HB2 MET A 74 -15.215 -18.374 25.077 1.00 52.23 H new ATOM 0 HB3 MET A 74 -14.687 -18.328 26.748 1.00 52.23 H new ATOM 0 HG2 MET A 74 -15.583 -15.959 26.903 1.00 1.04 H new ATOM 0 HG3 MET A 74 -16.221 -16.139 25.280 1.00 1.04 H new ATOM 0 HE1 MET A 74 -17.646 -18.006 29.206 1.00 14.31 H new ATOM 0 HE2 MET A 74 -16.243 -18.773 28.423 1.00 14.31 H new ATOM 0 HE3 MET A 74 -16.186 -17.049 28.863 1.00 14.31 H new ATOM 1191 N GLU A 75 -12.287 -18.921 24.389 1.00 71.40 N ATOM 1192 CA GLU A 75 -11.226 -19.913 24.272 1.00 61.22 C ATOM 1193 C GLU A 75 -9.845 -19.296 24.077 1.00 22.11 C ATOM 1194 O GLU A 75 -8.875 -19.679 24.728 1.00 32.44 O ATOM 1195 CB GLU A 75 -11.488 -20.887 23.091 1.00 23.14 C ATOM 1196 CG GLU A 75 -12.716 -21.814 23.277 1.00 3.12 C ATOM 1197 CD GLU A 75 -12.528 -22.844 24.393 1.00 42.01 C ATOM 1198 OE1 GLU A 75 -11.579 -23.663 24.283 1.00 51.24 O ATOM 1199 OE2 GLU A 75 -13.347 -22.829 25.347 1.00 62.02 O ATOM 0 H GLU A 75 -12.906 -18.884 23.579 1.00 71.40 H new ATOM 0 HA GLU A 75 -11.236 -20.451 25.220 1.00 61.22 H new ATOM 0 HB2 GLU A 75 -11.625 -20.304 22.180 1.00 23.14 H new ATOM 0 HB3 GLU A 75 -10.602 -21.505 22.944 1.00 23.14 H new ATOM 0 HG2 GLU A 75 -13.593 -21.205 23.497 1.00 3.12 H new ATOM 0 HG3 GLU A 75 -12.916 -22.335 22.340 1.00 3.12 H new ATOM 1206 N PHE A 76 -9.755 -18.286 23.184 1.00 1.42 N ATOM 1207 CA PHE A 76 -8.577 -17.496 22.875 1.00 32.22 C ATOM 1208 C PHE A 76 -8.037 -16.741 24.070 1.00 42.33 C ATOM 1209 O PHE A 76 -6.847 -16.786 24.365 1.00 70.23 O ATOM 1210 CB PHE A 76 -8.949 -16.526 21.715 1.00 63.32 C ATOM 1211 CG PHE A 76 -7.916 -15.467 21.444 1.00 21.43 C ATOM 1212 CD1 PHE A 76 -6.678 -15.750 20.855 1.00 70.33 C ATOM 1213 CD2 PHE A 76 -8.178 -14.161 21.885 1.00 21.12 C ATOM 1214 CE1 PHE A 76 -5.749 -14.724 20.633 1.00 11.40 C ATOM 1215 CE2 PHE A 76 -7.220 -13.161 21.735 1.00 13.31 C ATOM 1216 CZ PHE A 76 -6.015 -13.429 21.082 1.00 75.01 C ATOM 0 H PHE A 76 -10.563 -17.995 22.633 1.00 1.42 H new ATOM 0 HA PHE A 76 -7.772 -18.167 22.576 1.00 32.22 H new ATOM 0 HB2 PHE A 76 -9.105 -17.107 20.806 1.00 63.32 H new ATOM 0 HB3 PHE A 76 -9.897 -16.042 21.951 1.00 63.32 H new ATOM 0 HD1 PHE A 76 -6.437 -16.764 20.570 1.00 70.33 H new ATOM 0 HD2 PHE A 76 -9.128 -13.930 22.343 1.00 21.12 H new ATOM 0 HE1 PHE A 76 -4.826 -14.936 20.114 1.00 11.40 H new ATOM 0 HE2 PHE A 76 -7.410 -12.172 22.126 1.00 13.31 H new ATOM 0 HZ PHE A 76 -5.294 -12.640 20.925 1.00 75.01 H new ATOM 1226 N ALA A 77 -8.911 -16.049 24.816 1.00 51.22 N ATOM 1227 CA ALA A 77 -8.544 -15.239 25.944 1.00 71.13 C ATOM 1228 C ALA A 77 -7.863 -16.030 27.044 1.00 31.44 C ATOM 1229 O ALA A 77 -6.870 -15.593 27.626 1.00 11.42 O ATOM 1230 CB ALA A 77 -9.826 -14.585 26.442 1.00 1.24 C ATOM 0 H ALA A 77 -9.914 -16.050 24.631 1.00 51.22 H new ATOM 0 HA ALA A 77 -7.808 -14.494 25.641 1.00 71.13 H new ATOM 0 HB1 ALA A 77 -9.602 -13.955 27.303 1.00 1.24 H new ATOM 0 HB2 ALA A 77 -10.255 -13.975 25.648 1.00 1.24 H new ATOM 0 HB3 ALA A 77 -10.539 -15.357 26.732 1.00 1.24 H new ATOM 1236 N MET A 78 -8.374 -17.252 27.308 1.00 63.31 N ATOM 1237 CA MET A 78 -7.802 -18.203 28.234 1.00 45.43 C ATOM 1238 C MET A 78 -6.416 -18.695 27.840 1.00 73.00 C ATOM 1239 O MET A 78 -5.553 -18.868 28.699 1.00 24.54 O ATOM 1240 CB MET A 78 -8.789 -19.367 28.479 1.00 5.11 C ATOM 1241 CG MET A 78 -10.028 -18.900 29.283 1.00 3.13 C ATOM 1242 SD MET A 78 -11.255 -20.206 29.608 1.00 34.42 S ATOM 1243 CE MET A 78 -10.249 -21.162 30.781 1.00 52.31 C ATOM 0 H MET A 78 -9.223 -17.597 26.859 1.00 63.31 H new ATOM 0 HA MET A 78 -7.645 -17.673 29.173 1.00 45.43 H new ATOM 0 HB2 MET A 78 -9.109 -19.781 27.523 1.00 5.11 H new ATOM 0 HB3 MET A 78 -8.283 -20.167 29.020 1.00 5.11 H new ATOM 0 HG2 MET A 78 -9.693 -18.489 30.235 1.00 3.13 H new ATOM 0 HG3 MET A 78 -10.514 -18.090 28.739 1.00 3.13 H new ATOM 0 HE1 MET A 78 -10.891 -21.839 31.344 1.00 52.31 H new ATOM 0 HE2 MET A 78 -9.503 -21.739 30.235 1.00 52.31 H new ATOM 0 HE3 MET A 78 -9.748 -20.482 31.470 1.00 52.31 H new ATOM 1253 N LYS A 79 -6.131 -18.871 26.525 1.00 4.12 N ATOM 1254 CA LYS A 79 -4.789 -19.186 26.026 1.00 21.43 C ATOM 1255 C LYS A 79 -3.780 -18.079 26.347 1.00 74.23 C ATOM 1256 O LYS A 79 -2.589 -18.328 26.521 1.00 1.32 O ATOM 1257 CB LYS A 79 -4.790 -19.404 24.488 1.00 73.01 C ATOM 1258 CG LYS A 79 -5.563 -20.652 24.024 1.00 35.03 C ATOM 1259 CD LYS A 79 -4.834 -21.977 24.306 1.00 72.51 C ATOM 1260 CE LYS A 79 -5.631 -23.222 23.906 1.00 71.51 C ATOM 1261 NZ LYS A 79 -6.815 -23.370 24.775 1.00 12.10 N ATOM 0 H LYS A 79 -6.833 -18.796 25.789 1.00 4.12 H new ATOM 0 HA LYS A 79 -4.493 -20.104 26.533 1.00 21.43 H new ATOM 0 HB2 LYS A 79 -5.221 -18.525 24.009 1.00 73.01 H new ATOM 0 HB3 LYS A 79 -3.759 -19.481 24.143 1.00 73.01 H new ATOM 0 HG2 LYS A 79 -6.534 -20.671 24.519 1.00 35.03 H new ATOM 0 HG3 LYS A 79 -5.752 -20.573 22.953 1.00 35.03 H new ATOM 0 HD2 LYS A 79 -3.884 -21.979 23.771 1.00 72.51 H new ATOM 0 HD3 LYS A 79 -4.601 -22.033 25.369 1.00 72.51 H new ATOM 0 HE2 LYS A 79 -5.943 -23.144 22.864 1.00 71.51 H new ATOM 0 HE3 LYS A 79 -5.000 -24.107 23.985 1.00 71.51 H new ATOM 0 HZ1 LYS A 79 -7.262 -24.292 24.598 1.00 12.10 H new ATOM 0 HZ2 LYS A 79 -6.524 -23.312 25.772 1.00 12.10 H new ATOM 0 HZ3 LYS A 79 -7.495 -22.610 24.568 1.00 12.10 H new ATOM 1275 N HIS A 80 -4.264 -16.824 26.457 1.00 40.20 N ATOM 1276 CA HIS A 80 -3.495 -15.632 26.753 1.00 73.30 C ATOM 1277 C HIS A 80 -3.486 -15.241 28.212 1.00 51.24 C ATOM 1278 O HIS A 80 -3.070 -14.138 28.566 1.00 32.22 O ATOM 1279 CB HIS A 80 -3.984 -14.481 25.866 1.00 42.13 C ATOM 1280 CG HIS A 80 -3.560 -14.730 24.440 1.00 12.40 C ATOM 1281 ND1 HIS A 80 -2.258 -14.556 24.052 1.00 14.44 N ATOM 1282 CD2 HIS A 80 -4.179 -15.388 23.435 1.00 12.24 C ATOM 1283 CE1 HIS A 80 -2.093 -15.093 22.856 1.00 73.43 C ATOM 1284 NE2 HIS A 80 -3.241 -15.609 22.463 1.00 14.24 N ATOM 0 H HIS A 80 -5.256 -16.622 26.332 1.00 40.20 H new ATOM 0 HA HIS A 80 -2.454 -15.863 26.527 1.00 73.30 H new ATOM 0 HB2 HIS A 80 -5.069 -14.398 25.925 1.00 42.13 H new ATOM 0 HB3 HIS A 80 -3.573 -13.535 26.219 1.00 42.13 H new ATOM 0 HD2 HIS A 80 -5.217 -15.684 23.405 1.00 12.24 H new ATOM 0 HE1 HIS A 80 -1.171 -15.107 22.294 1.00 73.43 H new ATOM 0 HE2 HIS A 80 -3.403 -16.093 21.580 1.00 14.24 H new ATOM 1293 N GLY A 81 -3.893 -16.158 29.115 1.00 43.23 N ATOM 1294 CA GLY A 81 -3.646 -16.004 30.541 1.00 74.52 C ATOM 1295 C GLY A 81 -4.795 -15.417 31.294 1.00 1.43 C ATOM 1296 O GLY A 81 -4.744 -15.315 32.517 1.00 34.23 O ATOM 0 H GLY A 81 -4.395 -17.011 28.868 1.00 43.23 H new ATOM 0 HA2 GLY A 81 -3.406 -16.979 30.966 1.00 74.52 H new ATOM 0 HA3 GLY A 81 -2.770 -15.371 30.682 1.00 74.52 H new ATOM 1300 N ALA A 82 -5.890 -15.045 30.601 1.00 14.43 N ATOM 1301 CA ALA A 82 -7.142 -14.764 31.284 1.00 25.14 C ATOM 1302 C ALA A 82 -7.730 -16.021 31.945 1.00 61.12 C ATOM 1303 O ALA A 82 -7.700 -17.114 31.389 1.00 74.42 O ATOM 1304 CB ALA A 82 -8.183 -14.188 30.304 1.00 24.22 C ATOM 0 H ALA A 82 -5.921 -14.937 29.587 1.00 14.43 H new ATOM 0 HA ALA A 82 -6.916 -14.032 32.060 1.00 25.14 H new ATOM 0 HB1 ALA A 82 -9.112 -13.985 30.837 1.00 24.22 H new ATOM 0 HB2 ALA A 82 -7.803 -13.262 29.872 1.00 24.22 H new ATOM 0 HB3 ALA A 82 -8.371 -14.909 29.508 1.00 24.22 H new ATOM 1310 N ASP A 83 -8.311 -15.912 33.164 1.00 54.22 N ATOM 1311 CA ASP A 83 -9.120 -16.991 33.714 1.00 2.22 C ATOM 1312 C ASP A 83 -10.515 -16.906 33.115 1.00 0.42 C ATOM 1313 O ASP A 83 -10.857 -15.936 32.445 1.00 12.32 O ATOM 1314 CB ASP A 83 -9.207 -16.943 35.258 1.00 32.15 C ATOM 1315 CG ASP A 83 -7.824 -17.148 35.869 1.00 25.10 C ATOM 1316 OD1 ASP A 83 -7.353 -16.226 36.581 1.00 61.04 O ATOM 1317 OD2 ASP A 83 -7.258 -18.251 35.660 1.00 30.12 O ATOM 0 H ASP A 83 -8.228 -15.094 33.767 1.00 54.22 H new ATOM 0 HA ASP A 83 -8.643 -17.936 33.456 1.00 2.22 H new ATOM 0 HB2 ASP A 83 -9.615 -15.984 35.577 1.00 32.15 H new ATOM 0 HB3 ASP A 83 -9.889 -17.715 35.616 1.00 32.15 H new ATOM 1322 N GLU A 84 -11.374 -17.926 33.336 1.00 31.51 N ATOM 1323 CA GLU A 84 -12.667 -18.013 32.662 1.00 51.12 C ATOM 1324 C GLU A 84 -13.608 -16.885 33.051 1.00 63.25 C ATOM 1325 O GLU A 84 -14.354 -16.352 32.233 1.00 42.40 O ATOM 1326 CB GLU A 84 -13.351 -19.398 32.866 1.00 63.41 C ATOM 1327 CG GLU A 84 -13.739 -19.765 34.317 1.00 2.34 C ATOM 1328 CD GLU A 84 -14.414 -21.137 34.406 1.00 14.22 C ATOM 1329 OE1 GLU A 84 -15.500 -21.301 33.793 1.00 71.01 O ATOM 1330 OE2 GLU A 84 -13.848 -22.020 35.100 1.00 51.13 O ATOM 0 H GLU A 84 -11.185 -18.696 33.978 1.00 31.51 H new ATOM 0 HA GLU A 84 -12.450 -17.904 31.599 1.00 51.12 H new ATOM 0 HB2 GLU A 84 -14.252 -19.428 32.253 1.00 63.41 H new ATOM 0 HB3 GLU A 84 -12.681 -20.169 32.486 1.00 63.41 H new ATOM 0 HG2 GLU A 84 -12.846 -19.760 34.942 1.00 2.34 H new ATOM 0 HG3 GLU A 84 -14.411 -19.005 34.715 1.00 2.34 H new ATOM 1337 N ALA A 85 -13.514 -16.467 34.330 1.00 22.34 N ATOM 1338 CA ALA A 85 -14.191 -15.332 34.915 1.00 20.31 C ATOM 1339 C ALA A 85 -13.711 -14.011 34.335 1.00 71.24 C ATOM 1340 O ALA A 85 -14.490 -13.124 34.000 1.00 21.14 O ATOM 1341 CB ALA A 85 -13.969 -15.357 36.438 1.00 32.10 C ATOM 0 H ALA A 85 -12.925 -16.953 35.006 1.00 22.34 H new ATOM 0 HA ALA A 85 -15.253 -15.409 34.683 1.00 20.31 H new ATOM 0 HB1 ALA A 85 -14.475 -14.506 36.893 1.00 32.10 H new ATOM 0 HB2 ALA A 85 -14.373 -16.282 36.850 1.00 32.10 H new ATOM 0 HB3 ALA A 85 -12.901 -15.301 36.651 1.00 32.10 H new ATOM 1347 N MET A 86 -12.379 -13.868 34.184 1.00 70.02 N ATOM 1348 CA MET A 86 -11.730 -12.711 33.607 1.00 74.14 C ATOM 1349 C MET A 86 -12.024 -12.566 32.126 1.00 73.04 C ATOM 1350 O MET A 86 -12.217 -11.465 31.616 1.00 71.22 O ATOM 1351 CB MET A 86 -10.208 -12.758 33.824 1.00 1.23 C ATOM 1352 CG MET A 86 -9.777 -12.689 35.302 1.00 63.20 C ATOM 1353 SD MET A 86 -7.998 -12.982 35.533 1.00 31.20 S ATOM 1354 CE MET A 86 -8.023 -12.917 37.348 1.00 42.23 C ATOM 0 H MET A 86 -11.718 -14.588 34.475 1.00 70.02 H new ATOM 0 HA MET A 86 -12.140 -11.843 34.123 1.00 74.14 H new ATOM 0 HB2 MET A 86 -9.818 -13.677 33.386 1.00 1.23 H new ATOM 0 HB3 MET A 86 -9.750 -11.929 33.285 1.00 1.23 H new ATOM 0 HG2 MET A 86 -10.034 -11.710 35.705 1.00 63.20 H new ATOM 0 HG3 MET A 86 -10.339 -13.427 35.874 1.00 63.20 H new ATOM 0 HE1 MET A 86 -7.015 -13.075 37.732 1.00 42.23 H new ATOM 0 HE2 MET A 86 -8.386 -11.942 37.672 1.00 42.23 H new ATOM 0 HE3 MET A 86 -8.683 -13.696 37.731 1.00 42.23 H new ATOM 1364 N ALA A 87 -12.064 -13.699 31.399 1.00 44.43 N ATOM 1365 CA ALA A 87 -12.429 -13.748 30.002 1.00 11.22 C ATOM 1366 C ALA A 87 -13.852 -13.267 29.724 1.00 31.21 C ATOM 1367 O ALA A 87 -14.082 -12.408 28.874 1.00 62.11 O ATOM 1368 CB ALA A 87 -12.256 -15.197 29.502 1.00 31.40 C ATOM 0 H ALA A 87 -11.836 -14.614 31.789 1.00 44.43 H new ATOM 0 HA ALA A 87 -11.771 -13.063 29.467 1.00 11.22 H new ATOM 0 HB1 ALA A 87 -12.527 -15.253 28.448 1.00 31.40 H new ATOM 0 HB2 ALA A 87 -11.217 -15.503 29.626 1.00 31.40 H new ATOM 0 HB3 ALA A 87 -12.901 -15.860 30.078 1.00 31.40 H new ATOM 1374 N LYS A 88 -14.850 -13.751 30.503 1.00 25.10 N ATOM 1375 CA LYS A 88 -16.223 -13.280 30.409 1.00 43.42 C ATOM 1376 C LYS A 88 -16.361 -11.849 30.892 1.00 73.20 C ATOM 1377 O LYS A 88 -17.173 -11.091 30.372 1.00 22.34 O ATOM 1378 CB LYS A 88 -17.258 -14.208 31.120 1.00 31.32 C ATOM 1379 CG LYS A 88 -17.150 -14.349 32.646 1.00 72.31 C ATOM 1380 CD LYS A 88 -18.239 -15.262 33.242 1.00 45.24 C ATOM 1381 CE LYS A 88 -18.131 -15.453 34.756 1.00 2.42 C ATOM 1382 NZ LYS A 88 -19.293 -16.219 35.251 1.00 33.22 N ATOM 0 H LYS A 88 -14.710 -14.476 31.207 1.00 25.10 H new ATOM 0 HA LYS A 88 -16.464 -13.312 29.346 1.00 43.42 H new ATOM 0 HB2 LYS A 88 -18.257 -13.840 30.886 1.00 31.32 H new ATOM 0 HB3 LYS A 88 -17.174 -15.203 30.683 1.00 31.32 H new ATOM 0 HG2 LYS A 88 -16.168 -14.749 32.900 1.00 72.31 H new ATOM 0 HG3 LYS A 88 -17.220 -13.362 33.103 1.00 72.31 H new ATOM 0 HD2 LYS A 88 -19.218 -14.843 33.008 1.00 45.24 H new ATOM 0 HD3 LYS A 88 -18.186 -16.237 32.758 1.00 45.24 H new ATOM 0 HE2 LYS A 88 -17.208 -15.978 35.000 1.00 2.42 H new ATOM 0 HE3 LYS A 88 -18.086 -14.483 35.251 1.00 2.42 H new ATOM 0 HZ1 LYS A 88 -19.213 -16.345 36.280 1.00 33.22 H new ATOM 0 HZ2 LYS A 88 -20.168 -15.702 35.033 1.00 33.22 H new ATOM 0 HZ3 LYS A 88 -19.317 -17.151 34.789 1.00 33.22 H new ATOM 1396 N GLN A 89 -15.507 -11.409 31.845 1.00 21.21 N ATOM 1397 CA GLN A 89 -15.399 -10.028 32.257 1.00 35.43 C ATOM 1398 C GLN A 89 -14.994 -9.059 31.168 1.00 11.52 C ATOM 1399 O GLN A 89 -15.615 -8.004 31.070 1.00 34.45 O ATOM 1400 CB GLN A 89 -14.459 -9.870 33.476 1.00 10.13 C ATOM 1401 CG GLN A 89 -14.241 -8.408 33.917 1.00 65.42 C ATOM 1402 CD GLN A 89 -13.656 -8.293 35.322 1.00 33.15 C ATOM 1403 OE1 GLN A 89 -14.240 -7.674 36.213 1.00 75.15 O ATOM 1404 NE2 GLN A 89 -12.464 -8.902 35.534 1.00 2.12 N ATOM 0 H GLN A 89 -14.871 -12.030 32.346 1.00 21.21 H new ATOM 0 HA GLN A 89 -16.418 -9.757 32.533 1.00 35.43 H new ATOM 0 HB2 GLN A 89 -14.870 -10.434 34.314 1.00 10.13 H new ATOM 0 HB3 GLN A 89 -13.493 -10.314 33.236 1.00 10.13 H new ATOM 0 HG2 GLN A 89 -13.574 -7.916 33.210 1.00 65.42 H new ATOM 0 HG3 GLN A 89 -15.192 -7.877 33.880 1.00 65.42 H new ATOM 0 HE21 GLN A 89 -12.007 -9.407 34.774 1.00 2.12 H new ATOM 0 HE22 GLN A 89 -12.024 -8.856 36.453 1.00 2.12 H new ATOM 1413 N LEU A 90 -14.009 -9.349 30.280 1.00 51.32 N ATOM 1414 CA LEU A 90 -13.693 -8.460 29.197 1.00 73.33 C ATOM 1415 C LEU A 90 -14.857 -8.307 28.225 1.00 43.41 C ATOM 1416 O LEU A 90 -15.223 -7.204 27.821 1.00 52.50 O ATOM 1417 CB LEU A 90 -12.431 -8.973 28.477 1.00 72.15 C ATOM 1418 CG LEU A 90 -11.075 -8.920 29.231 1.00 40.44 C ATOM 1419 CD1 LEU A 90 -9.925 -9.432 28.334 1.00 42.40 C ATOM 1420 CD2 LEU A 90 -10.689 -7.550 29.815 1.00 11.12 C ATOM 0 H LEU A 90 -13.438 -10.194 30.315 1.00 51.32 H new ATOM 0 HA LEU A 90 -13.501 -7.468 29.606 1.00 73.33 H new ATOM 0 HB2 LEU A 90 -12.611 -10.009 28.191 1.00 72.15 H new ATOM 0 HB3 LEU A 90 -12.320 -8.402 27.555 1.00 72.15 H new ATOM 0 HG LEU A 90 -11.227 -9.576 30.088 1.00 40.44 H new ATOM 0 HD11 LEU A 90 -8.986 -9.385 28.885 1.00 42.40 H new ATOM 0 HD12 LEU A 90 -10.123 -10.463 28.042 1.00 42.40 H new ATOM 0 HD13 LEU A 90 -9.854 -8.809 27.442 1.00 42.40 H new ATOM 0 HD21 LEU A 90 -9.726 -7.628 30.319 1.00 11.12 H new ATOM 0 HD22 LEU A 90 -10.619 -6.818 29.010 1.00 11.12 H new ATOM 0 HD23 LEU A 90 -11.448 -7.232 30.530 1.00 11.12 H new ATOM 1432 N LEU A 91 -15.531 -9.423 27.898 1.00 43.22 N ATOM 1433 CA LEU A 91 -16.735 -9.423 27.093 1.00 54.14 C ATOM 1434 C LEU A 91 -17.883 -8.657 27.769 1.00 50.01 C ATOM 1435 O LEU A 91 -18.618 -7.913 27.121 1.00 55.43 O ATOM 1436 CB LEU A 91 -17.108 -10.895 26.773 1.00 25.43 C ATOM 1437 CG LEU A 91 -16.120 -11.589 25.797 1.00 64.12 C ATOM 1438 CD1 LEU A 91 -16.017 -13.096 26.044 1.00 31.33 C ATOM 1439 CD2 LEU A 91 -16.540 -11.390 24.338 1.00 2.02 C ATOM 0 H LEU A 91 -15.240 -10.354 28.195 1.00 43.22 H new ATOM 0 HA LEU A 91 -16.551 -8.891 26.160 1.00 54.14 H new ATOM 0 HB2 LEU A 91 -17.145 -11.462 27.703 1.00 25.43 H new ATOM 0 HB3 LEU A 91 -18.109 -10.922 26.343 1.00 25.43 H new ATOM 0 HG LEU A 91 -15.153 -11.122 25.984 1.00 64.12 H new ATOM 0 HD11 LEU A 91 -15.314 -13.534 25.335 1.00 31.33 H new ATOM 0 HD12 LEU A 91 -15.667 -13.275 27.061 1.00 31.33 H new ATOM 0 HD13 LEU A 91 -16.997 -13.554 25.912 1.00 31.33 H new ATOM 0 HD21 LEU A 91 -15.826 -11.889 23.683 1.00 2.02 H new ATOM 0 HD22 LEU A 91 -17.532 -11.814 24.184 1.00 2.02 H new ATOM 0 HD23 LEU A 91 -16.561 -10.325 24.108 1.00 2.02 H new ATOM 1451 N ASP A 92 -18.057 -8.790 29.105 1.00 52.43 N ATOM 1452 CA ASP A 92 -18.975 -8.037 29.897 1.00 24.30 C ATOM 1453 C ASP A 92 -18.692 -6.545 30.046 1.00 33.33 C ATOM 1454 O ASP A 92 -19.622 -5.751 29.959 1.00 13.40 O ATOM 1455 CB ASP A 92 -19.084 -8.702 31.271 1.00 72.12 C ATOM 1456 CG ASP A 92 -19.840 -10.030 31.310 1.00 0.21 C ATOM 1457 OD1 ASP A 92 -19.613 -10.785 32.291 1.00 31.44 O ATOM 1458 OD2 ASP A 92 -20.715 -10.263 30.432 1.00 24.40 O ATOM 0 H ASP A 92 -17.523 -9.463 29.656 1.00 52.43 H new ATOM 0 HA ASP A 92 -19.917 -8.056 29.349 1.00 24.30 H new ATOM 0 HB2 ASP A 92 -18.077 -8.868 31.654 1.00 72.12 H new ATOM 0 HB3 ASP A 92 -19.574 -8.007 31.952 1.00 72.12 H new ATOM 1463 N ILE A 93 -17.418 -6.110 30.234 1.00 74.22 N ATOM 1464 CA ILE A 93 -17.021 -4.696 30.296 1.00 50.11 C ATOM 1465 C ILE A 93 -17.411 -4.011 29.018 1.00 53.04 C ATOM 1466 O ILE A 93 -17.967 -2.916 29.020 1.00 13.22 O ATOM 1467 CB ILE A 93 -15.518 -4.479 30.429 1.00 40.33 C ATOM 1468 CG1 ILE A 93 -14.942 -4.879 31.802 1.00 15.52 C ATOM 1469 CG2 ILE A 93 -15.131 -3.012 30.122 1.00 12.34 C ATOM 1470 CD1 ILE A 93 -13.402 -4.962 31.824 1.00 53.14 C ATOM 0 H ILE A 93 -16.632 -6.750 30.348 1.00 74.22 H new ATOM 0 HA ILE A 93 -17.521 -4.298 31.179 1.00 50.11 H new ATOM 0 HB ILE A 93 -15.075 -5.146 29.690 1.00 40.33 H new ATOM 0 HG12 ILE A 93 -15.269 -4.156 32.549 1.00 15.52 H new ATOM 0 HG13 ILE A 93 -15.354 -5.846 32.092 1.00 15.52 H new ATOM 0 HG21 ILE A 93 -14.053 -2.891 30.226 1.00 12.34 H new ATOM 0 HG22 ILE A 93 -15.428 -2.763 29.103 1.00 12.34 H new ATOM 0 HG23 ILE A 93 -15.640 -2.348 30.821 1.00 12.34 H new ATOM 0 HD11 ILE A 93 -13.067 -5.248 32.821 1.00 53.14 H new ATOM 0 HD12 ILE A 93 -13.067 -5.706 31.101 1.00 53.14 H new ATOM 0 HD13 ILE A 93 -12.982 -3.990 31.565 1.00 53.14 H new ATOM 1482 N LYS A 94 -17.161 -4.685 27.883 1.00 53.23 N ATOM 1483 CA LYS A 94 -17.564 -4.213 26.591 1.00 52.54 C ATOM 1484 C LYS A 94 -19.035 -3.941 26.512 1.00 25.41 C ATOM 1485 O LYS A 94 -19.447 -2.835 26.186 1.00 22.52 O ATOM 1486 CB LYS A 94 -17.179 -5.301 25.551 1.00 34.12 C ATOM 1487 CG LYS A 94 -18.013 -5.207 24.272 1.00 2.23 C ATOM 1488 CD LYS A 94 -17.628 -6.069 23.074 1.00 3.25 C ATOM 1489 CE LYS A 94 -18.504 -5.595 21.927 1.00 44.33 C ATOM 1490 NZ LYS A 94 -18.137 -6.244 20.662 1.00 55.55 N ATOM 0 H LYS A 94 -16.668 -5.578 27.859 1.00 53.23 H new ATOM 0 HA LYS A 94 -17.059 -3.268 26.391 1.00 52.54 H new ATOM 0 HB2 LYS A 94 -16.123 -5.203 25.301 1.00 34.12 H new ATOM 0 HB3 LYS A 94 -17.311 -6.287 25.996 1.00 34.12 H new ATOM 0 HG2 LYS A 94 -19.044 -5.447 24.533 1.00 2.23 H new ATOM 0 HG3 LYS A 94 -18.001 -4.167 23.947 1.00 2.23 H new ATOM 0 HD2 LYS A 94 -16.571 -5.954 22.833 1.00 3.25 H new ATOM 0 HD3 LYS A 94 -17.794 -7.126 23.283 1.00 3.25 H new ATOM 0 HE2 LYS A 94 -19.549 -5.806 22.155 1.00 44.33 H new ATOM 0 HE3 LYS A 94 -18.413 -4.514 21.822 1.00 44.33 H new ATOM 0 HZ1 LYS A 94 -18.660 -5.801 19.880 1.00 55.55 H new ATOM 0 HZ2 LYS A 94 -17.115 -6.136 20.500 1.00 55.55 H new ATOM 0 HZ3 LYS A 94 -18.375 -7.255 20.709 1.00 55.55 H new ATOM 1504 N HIS A 95 -19.896 -4.889 26.899 1.00 55.14 N ATOM 1505 CA HIS A 95 -21.303 -4.698 26.624 1.00 41.13 C ATOM 1506 C HIS A 95 -21.900 -3.705 27.576 1.00 60.45 C ATOM 1507 O HIS A 95 -22.865 -2.996 27.300 1.00 22.25 O ATOM 1508 CB HIS A 95 -22.028 -6.025 26.724 1.00 53.41 C ATOM 1509 CG HIS A 95 -22.305 -6.727 27.987 1.00 54.52 C ATOM 1510 ND1 HIS A 95 -23.295 -6.508 28.899 1.00 3.32 N ATOM 1511 CD2 HIS A 95 -21.792 -7.934 28.228 1.00 70.21 C ATOM 1512 CE1 HIS A 95 -23.351 -7.557 29.705 1.00 30.25 C ATOM 1513 NE2 HIS A 95 -22.442 -8.437 29.316 1.00 64.21 N ATOM 0 H HIS A 95 -19.649 -5.754 27.381 1.00 55.14 H new ATOM 0 HA HIS A 95 -21.412 -4.306 25.613 1.00 41.13 H new ATOM 0 HB2 HIS A 95 -22.994 -5.879 26.241 1.00 53.41 H new ATOM 0 HB3 HIS A 95 -21.465 -6.725 26.106 1.00 53.41 H new ATOM 0 HD2 HIS A 95 -21.009 -8.422 27.667 1.00 70.21 H new ATOM 0 HE1 HIS A 95 -24.026 -7.675 30.540 1.00 30.25 H new ATOM 0 HE2 HIS A 95 -22.259 -9.339 29.756 1.00 64.21 H new ATOM 1522 N SER A 96 -21.236 -3.651 28.739 1.00 44.41 N ATOM 1523 CA SER A 96 -21.505 -2.693 29.811 1.00 64.43 C ATOM 1524 C SER A 96 -21.205 -1.264 29.417 1.00 22.24 C ATOM 1525 O SER A 96 -21.913 -0.322 29.748 1.00 61.32 O ATOM 1526 CB SER A 96 -20.701 -3.038 31.088 1.00 61.21 C ATOM 1527 OG SER A 96 -21.014 -2.212 32.210 1.00 33.31 O ATOM 0 H SER A 96 -20.476 -4.293 28.963 1.00 44.41 H new ATOM 0 HA SER A 96 -22.574 -2.772 30.011 1.00 64.43 H new ATOM 0 HB2 SER A 96 -20.887 -4.079 31.352 1.00 61.21 H new ATOM 0 HB3 SER A 96 -19.637 -2.950 30.870 1.00 61.21 H new ATOM 0 HG SER A 96 -20.472 -2.486 32.979 1.00 33.31 H new ATOM 1533 N CYS A 97 -20.098 -1.073 28.702 1.00 12.43 N ATOM 1534 CA CYS A 97 -19.712 0.173 28.092 1.00 22.22 C ATOM 1535 C CYS A 97 -20.568 0.600 26.919 1.00 1.24 C ATOM 1536 O CYS A 97 -20.843 1.784 26.749 1.00 14.01 O ATOM 1537 CB CYS A 97 -18.219 0.156 27.745 1.00 2.04 C ATOM 1538 SG CYS A 97 -17.135 0.514 29.151 1.00 4.13 S ATOM 0 H CYS A 97 -19.426 -1.821 28.532 1.00 12.43 H new ATOM 0 HA CYS A 97 -19.894 0.944 28.841 1.00 22.22 H new ATOM 0 HB2 CYS A 97 -17.961 -0.823 27.340 1.00 2.04 H new ATOM 0 HB3 CYS A 97 -18.030 0.886 26.958 1.00 2.04 H new ATOM 1543 N GLU A 98 -21.048 -0.350 26.091 1.00 53.41 N ATOM 1544 CA GLU A 98 -21.809 -0.101 24.866 1.00 75.33 C ATOM 1545 C GLU A 98 -23.104 0.641 25.118 1.00 62.23 C ATOM 1546 O GLU A 98 -23.603 1.363 24.263 1.00 52.33 O ATOM 1547 CB GLU A 98 -22.138 -1.437 24.149 1.00 30.22 C ATOM 1548 CG GLU A 98 -20.895 -2.123 23.536 1.00 11.50 C ATOM 1549 CD GLU A 98 -20.511 -1.596 22.151 1.00 12.34 C ATOM 1550 OE1 GLU A 98 -20.238 -0.377 22.020 1.00 11.22 O ATOM 1551 OE2 GLU A 98 -20.484 -2.431 21.208 1.00 24.31 O ATOM 0 H GLU A 98 -20.907 -1.344 26.270 1.00 53.41 H new ATOM 0 HA GLU A 98 -21.175 0.526 24.239 1.00 75.33 H new ATOM 0 HB2 GLU A 98 -22.607 -2.117 24.860 1.00 30.22 H new ATOM 0 HB3 GLU A 98 -22.867 -1.249 23.361 1.00 30.22 H new ATOM 0 HG2 GLU A 98 -20.050 -1.990 24.211 1.00 11.50 H new ATOM 0 HG3 GLU A 98 -21.082 -3.195 23.466 1.00 11.50 H new ATOM 1558 N LYS A 99 -23.679 0.452 26.316 1.00 33.14 N ATOM 1559 CA LYS A 99 -24.929 1.067 26.713 1.00 43.54 C ATOM 1560 C LYS A 99 -24.722 2.467 27.280 1.00 2.35 C ATOM 1561 O LYS A 99 -25.666 3.254 27.332 1.00 15.51 O ATOM 1562 CB LYS A 99 -25.679 0.144 27.714 1.00 35.43 C ATOM 1563 CG LYS A 99 -25.033 0.043 29.100 1.00 31.11 C ATOM 1564 CD LYS A 99 -25.298 -1.276 29.849 1.00 14.43 C ATOM 1565 CE LYS A 99 -26.779 -1.583 30.070 1.00 3.44 C ATOM 1566 NZ LYS A 99 -26.925 -2.752 30.961 1.00 3.03 N ATOM 0 H LYS A 99 -23.273 -0.143 27.038 1.00 33.14 H new ATOM 0 HA LYS A 99 -25.548 1.187 25.824 1.00 43.54 H new ATOM 0 HB2 LYS A 99 -26.699 0.510 27.830 1.00 35.43 H new ATOM 0 HB3 LYS A 99 -25.745 -0.856 27.285 1.00 35.43 H new ATOM 0 HG2 LYS A 99 -23.956 0.172 28.992 1.00 31.11 H new ATOM 0 HG3 LYS A 99 -25.393 0.870 29.713 1.00 31.11 H new ATOM 0 HD2 LYS A 99 -24.848 -2.096 29.289 1.00 14.43 H new ATOM 0 HD3 LYS A 99 -24.798 -1.238 30.817 1.00 14.43 H new ATOM 0 HE2 LYS A 99 -27.277 -0.718 30.507 1.00 3.44 H new ATOM 0 HE3 LYS A 99 -27.264 -1.781 29.114 1.00 3.44 H new ATOM 0 HZ1 LYS A 99 -27.935 -2.954 31.106 1.00 3.03 H new ATOM 0 HZ2 LYS A 99 -26.465 -3.578 30.528 1.00 3.03 H new ATOM 0 HZ3 LYS A 99 -26.478 -2.548 31.877 1.00 3.03 H new ATOM 1580 N VAL A 100 -23.481 2.818 27.723 1.00 41.04 N ATOM 1581 CA VAL A 100 -23.187 4.092 28.350 1.00 61.23 C ATOM 1582 C VAL A 100 -22.494 5.034 27.388 1.00 43.23 C ATOM 1583 O VAL A 100 -22.671 6.249 27.461 1.00 71.30 O ATOM 1584 CB VAL A 100 -22.349 3.967 29.626 1.00 1.32 C ATOM 1585 CG1 VAL A 100 -23.131 3.095 30.615 1.00 2.45 C ATOM 1586 CG2 VAL A 100 -20.955 3.363 29.421 1.00 24.13 C ATOM 0 H VAL A 100 -22.669 2.206 27.644 1.00 41.04 H new ATOM 0 HA VAL A 100 -24.157 4.501 28.634 1.00 61.23 H new ATOM 0 HB VAL A 100 -22.179 4.978 29.995 1.00 1.32 H new ATOM 0 HG11 VAL A 100 -22.559 2.987 31.536 1.00 2.45 H new ATOM 0 HG12 VAL A 100 -24.089 3.565 30.836 1.00 2.45 H new ATOM 0 HG13 VAL A 100 -23.302 2.112 30.177 1.00 2.45 H new ATOM 0 HG21 VAL A 100 -20.435 3.314 30.378 1.00 24.13 H new ATOM 0 HG22 VAL A 100 -21.051 2.359 29.008 1.00 24.13 H new ATOM 0 HG23 VAL A 100 -20.386 3.986 28.731 1.00 24.13 H new ATOM 1596 N ILE A 101 -21.686 4.497 26.447 1.00 32.51 N ATOM 1597 CA ILE A 101 -21.048 5.300 25.414 1.00 24.22 C ATOM 1598 C ILE A 101 -22.003 5.840 24.360 1.00 1.41 C ATOM 1599 O ILE A 101 -23.058 5.278 24.071 1.00 41.23 O ATOM 1600 CB ILE A 101 -19.920 4.589 24.686 1.00 61.14 C ATOM 1601 CG1 ILE A 101 -20.373 3.308 23.951 1.00 45.12 C ATOM 1602 CG2 ILE A 101 -18.770 4.304 25.672 1.00 72.53 C ATOM 1603 CD1 ILE A 101 -19.808 3.234 22.537 1.00 12.44 C ATOM 0 H ILE A 101 -21.468 3.502 26.393 1.00 32.51 H new ATOM 0 HA ILE A 101 -20.644 6.131 25.992 1.00 24.22 H new ATOM 0 HB ILE A 101 -19.566 5.256 23.900 1.00 61.14 H new ATOM 0 HG12 ILE A 101 -20.053 2.433 24.516 1.00 45.12 H new ATOM 0 HG13 ILE A 101 -21.462 3.279 23.909 1.00 45.12 H new ATOM 0 HG21 ILE A 101 -17.961 3.794 25.150 1.00 72.53 H new ATOM 0 HG22 ILE A 101 -18.401 5.244 26.082 1.00 72.53 H new ATOM 0 HG23 ILE A 101 -19.134 3.672 26.482 1.00 72.53 H new ATOM 0 HD11 ILE A 101 -20.151 2.318 22.056 1.00 12.44 H new ATOM 0 HD12 ILE A 101 -20.150 4.095 21.963 1.00 12.44 H new ATOM 0 HD13 ILE A 101 -18.719 3.235 22.580 1.00 12.44 H new ATOM 1615 N THR A 102 -21.618 6.969 23.714 1.00 64.44 N ATOM 1616 CA THR A 102 -22.251 7.397 22.472 1.00 53.42 C ATOM 1617 C THR A 102 -21.977 6.441 21.334 1.00 0.02 C ATOM 1618 O THR A 102 -20.830 6.153 20.989 1.00 61.11 O ATOM 1619 CB THR A 102 -21.881 8.816 22.037 1.00 53.22 C ATOM 1620 OG1 THR A 102 -22.335 9.763 22.995 1.00 44.44 O ATOM 1621 CG2 THR A 102 -22.462 9.200 20.657 1.00 61.11 C ATOM 0 H THR A 102 -20.875 7.586 24.042 1.00 64.44 H new ATOM 0 HA THR A 102 -23.316 7.395 22.703 1.00 53.42 H new ATOM 0 HB THR A 102 -20.794 8.831 21.961 1.00 53.22 H new ATOM 0 HG1 THR A 102 -22.090 10.666 22.704 1.00 44.44 H new ATOM 0 HG21 THR A 102 -22.163 10.218 20.407 1.00 61.11 H new ATOM 0 HG22 THR A 102 -22.083 8.514 19.899 1.00 61.11 H new ATOM 0 HG23 THR A 102 -23.550 9.139 20.690 1.00 61.11 H new ATOM 1629 N ILE A 103 -23.081 5.986 20.708 1.00 41.43 N ATOM 1630 CA ILE A 103 -23.176 5.143 19.560 1.00 72.01 C ATOM 1631 C ILE A 103 -23.692 6.050 18.508 1.00 23.43 C ATOM 1632 O ILE A 103 -24.650 6.794 18.717 1.00 5.23 O ATOM 1633 CB ILE A 103 -24.144 3.981 19.671 1.00 4.42 C ATOM 1634 CG1 ILE A 103 -23.692 3.047 20.808 1.00 43.14 C ATOM 1635 CG2 ILE A 103 -24.352 3.270 18.301 1.00 31.24 C ATOM 1636 CD1 ILE A 103 -24.639 1.872 21.003 1.00 11.00 C ATOM 0 H ILE A 103 -24.007 6.242 21.050 1.00 41.43 H new ATOM 0 HA ILE A 103 -22.204 4.682 19.383 1.00 72.01 H new ATOM 0 HB ILE A 103 -25.135 4.350 19.937 1.00 4.42 H new ATOM 0 HG12 ILE A 103 -22.692 2.672 20.591 1.00 43.14 H new ATOM 0 HG13 ILE A 103 -23.625 3.615 21.736 1.00 43.14 H new ATOM 0 HG21 ILE A 103 -25.052 2.443 18.423 1.00 31.24 H new ATOM 0 HG22 ILE A 103 -24.753 3.981 17.579 1.00 31.24 H new ATOM 0 HG23 ILE A 103 -23.397 2.887 17.941 1.00 31.24 H new ATOM 0 HD11 ILE A 103 -24.276 1.243 21.816 1.00 11.00 H new ATOM 0 HD12 ILE A 103 -25.634 2.243 21.248 1.00 11.00 H new ATOM 0 HD13 ILE A 103 -24.686 1.286 20.085 1.00 11.00 H new ATOM 1648 N VAL A 104 -23.049 6.007 17.344 1.00 30.03 N ATOM 1649 CA VAL A 104 -23.464 6.811 16.243 1.00 41.33 C ATOM 1650 C VAL A 104 -23.979 5.856 15.192 1.00 60.23 C ATOM 1651 O VAL A 104 -23.299 4.914 14.789 1.00 31.53 O ATOM 1652 CB VAL A 104 -22.334 7.566 15.644 1.00 1.23 C ATOM 1653 CG1 VAL A 104 -22.790 8.521 14.580 1.00 24.42 C ATOM 1654 CG2 VAL A 104 -21.446 8.289 16.648 1.00 31.32 C ATOM 0 H VAL A 104 -22.239 5.416 17.158 1.00 30.03 H new ATOM 0 HA VAL A 104 -24.208 7.531 16.585 1.00 41.33 H new ATOM 0 HB VAL A 104 -21.715 6.792 15.190 1.00 1.23 H new ATOM 0 HG11 VAL A 104 -21.928 9.050 14.172 1.00 24.42 H new ATOM 0 HG12 VAL A 104 -23.287 7.968 13.783 1.00 24.42 H new ATOM 0 HG13 VAL A 104 -23.486 9.240 15.011 1.00 24.42 H new ATOM 0 HG21 VAL A 104 -20.649 8.812 16.119 1.00 31.32 H new ATOM 0 HG22 VAL A 104 -22.042 9.009 17.209 1.00 31.32 H new ATOM 0 HG23 VAL A 104 -21.010 7.565 17.336 1.00 31.32 H new ATOM 1664 N ALA A 105 -25.195 6.111 14.696 1.00 63.13 N ATOM 1665 CA ALA A 105 -25.767 5.418 13.562 1.00 64.43 C ATOM 1666 C ALA A 105 -24.996 5.599 12.260 1.00 14.45 C ATOM 1667 O ALA A 105 -24.723 4.645 11.538 1.00 75.33 O ATOM 1668 CB ALA A 105 -27.216 5.888 13.335 1.00 35.22 C ATOM 0 H ALA A 105 -25.813 6.822 15.088 1.00 63.13 H new ATOM 0 HA ALA A 105 -25.721 4.359 13.818 1.00 64.43 H new ATOM 0 HB1 ALA A 105 -27.639 5.362 12.480 1.00 35.22 H new ATOM 0 HB2 ALA A 105 -27.811 5.675 14.223 1.00 35.22 H new ATOM 0 HB3 ALA A 105 -27.224 6.961 13.141 1.00 35.22 H new ATOM 1674 N ASP A 106 -24.613 6.855 11.951 1.00 52.44 N ATOM 1675 CA ASP A 106 -23.796 7.229 10.814 1.00 1.21 C ATOM 1676 C ASP A 106 -22.371 6.685 10.854 1.00 72.12 C ATOM 1677 O ASP A 106 -21.799 6.358 9.817 1.00 70.35 O ATOM 1678 CB ASP A 106 -23.739 8.772 10.672 1.00 15.34 C ATOM 1679 CG ASP A 106 -25.112 9.320 10.303 1.00 64.10 C ATOM 1680 OD1 ASP A 106 -25.577 9.047 9.168 1.00 61.22 O ATOM 1681 OD2 ASP A 106 -25.707 10.007 11.174 1.00 2.44 O ATOM 0 H ASP A 106 -24.884 7.657 12.520 1.00 52.44 H new ATOM 0 HA ASP A 106 -24.284 6.773 9.952 1.00 1.21 H new ATOM 0 HB2 ASP A 106 -23.401 9.218 11.608 1.00 15.34 H new ATOM 0 HB3 ASP A 106 -23.013 9.047 9.907 1.00 15.34 H new ATOM 1686 N ASP A 107 -21.742 6.660 12.048 1.00 24.43 N ATOM 1687 CA ASP A 107 -20.301 6.563 12.166 1.00 25.53 C ATOM 1688 C ASP A 107 -19.937 5.435 13.132 1.00 55.00 C ATOM 1689 O ASP A 107 -19.788 5.717 14.323 1.00 42.40 O ATOM 1690 CB ASP A 107 -19.714 7.913 12.689 1.00 75.52 C ATOM 1691 CG ASP A 107 -18.196 8.009 12.570 1.00 15.45 C ATOM 1692 OD1 ASP A 107 -17.583 7.054 12.028 1.00 52.04 O ATOM 1693 OD2 ASP A 107 -17.637 9.034 13.039 1.00 34.53 O ATOM 0 H ASP A 107 -22.230 6.707 12.943 1.00 24.43 H new ATOM 0 HA ASP A 107 -19.879 6.349 11.184 1.00 25.53 H new ATOM 0 HB2 ASP A 107 -20.166 8.735 12.133 1.00 75.52 H new ATOM 0 HB3 ASP A 107 -19.996 8.041 13.734 1.00 75.52 H new ATOM 1698 N PRO A 108 -19.710 4.188 12.733 1.00 41.15 N ATOM 1699 CA PRO A 108 -19.334 3.116 13.653 1.00 63.05 C ATOM 1700 C PRO A 108 -17.965 3.315 14.278 1.00 33.30 C ATOM 1701 O PRO A 108 -17.638 2.609 15.233 1.00 2.21 O ATOM 1702 CB PRO A 108 -19.384 1.856 12.773 1.00 30.54 C ATOM 1703 CG PRO A 108 -19.109 2.367 11.357 1.00 65.13 C ATOM 1704 CD PRO A 108 -19.840 3.709 11.354 1.00 11.12 C ATOM 0 HA PRO A 108 -20.001 3.067 14.514 1.00 63.05 H new ATOM 0 HB2 PRO A 108 -18.637 1.125 13.083 1.00 30.54 H new ATOM 0 HB3 PRO A 108 -20.355 1.366 12.836 1.00 30.54 H new ATOM 0 HG2 PRO A 108 -18.042 2.483 11.166 1.00 65.13 H new ATOM 0 HG3 PRO A 108 -19.497 1.690 10.596 1.00 65.13 H new ATOM 0 HD2 PRO A 108 -19.392 4.406 10.646 1.00 11.12 H new ATOM 0 HD3 PRO A 108 -20.886 3.593 11.069 1.00 11.12 H new ATOM 1712 N CYS A 109 -17.136 4.245 13.755 1.00 32.52 N ATOM 1713 CA CYS A 109 -15.801 4.502 14.232 1.00 40.14 C ATOM 1714 C CYS A 109 -15.834 5.129 15.619 1.00 64.52 C ATOM 1715 O CYS A 109 -15.108 4.714 16.518 1.00 61.14 O ATOM 1716 CB CYS A 109 -15.040 5.416 13.246 1.00 1.44 C ATOM 1717 SG CYS A 109 -14.916 4.680 11.579 1.00 64.41 S ATOM 0 H CYS A 109 -17.403 4.841 12.971 1.00 32.52 H new ATOM 0 HA CYS A 109 -15.275 3.550 14.299 1.00 40.14 H new ATOM 0 HB2 CYS A 109 -15.548 6.378 13.180 1.00 1.44 H new ATOM 0 HB3 CYS A 109 -14.039 5.610 13.631 1.00 1.44 H new ATOM 1722 N GLN A 110 -16.740 6.116 15.848 1.00 0.41 N ATOM 1723 CA GLN A 110 -16.979 6.724 17.151 1.00 70.44 C ATOM 1724 C GLN A 110 -17.492 5.708 18.130 1.00 62.03 C ATOM 1725 O GLN A 110 -16.965 5.603 19.229 1.00 54.41 O ATOM 1726 CB GLN A 110 -18.010 7.885 17.080 1.00 22.44 C ATOM 1727 CG GLN A 110 -17.507 9.245 17.625 1.00 32.01 C ATOM 1728 CD GLN A 110 -16.789 10.026 16.530 1.00 34.32 C ATOM 1729 OE1 GLN A 110 -17.059 11.201 16.268 1.00 42.45 O ATOM 1730 NE2 GLN A 110 -15.886 9.304 15.823 1.00 73.33 N ATOM 0 H GLN A 110 -17.326 6.506 15.110 1.00 0.41 H new ATOM 0 HA GLN A 110 -16.018 7.120 17.479 1.00 70.44 H new ATOM 0 HB2 GLN A 110 -18.314 8.017 16.042 1.00 22.44 H new ATOM 0 HB3 GLN A 110 -18.900 7.594 17.638 1.00 22.44 H new ATOM 0 HG2 GLN A 110 -18.349 9.826 18.002 1.00 32.01 H new ATOM 0 HG3 GLN A 110 -16.832 9.080 18.465 1.00 32.01 H new ATOM 0 HE21 GLN A 110 -15.696 8.335 16.078 1.00 73.33 H new ATOM 0 HE22 GLN A 110 -15.396 9.730 15.036 1.00 73.33 H new ATOM 1739 N THR A 111 -18.470 4.873 17.707 1.00 10.11 N ATOM 1740 CA THR A 111 -18.989 3.785 18.537 1.00 71.42 C ATOM 1741 C THR A 111 -17.872 2.841 18.983 1.00 73.45 C ATOM 1742 O THR A 111 -17.766 2.528 20.165 1.00 0.42 O ATOM 1743 CB THR A 111 -20.033 2.943 17.820 1.00 10.33 C ATOM 1744 OG1 THR A 111 -21.101 3.765 17.370 1.00 34.23 O ATOM 1745 CG2 THR A 111 -20.605 1.849 18.757 1.00 51.11 C ATOM 0 H THR A 111 -18.911 4.941 16.790 1.00 10.11 H new ATOM 0 HA THR A 111 -19.447 4.276 19.395 1.00 71.42 H new ATOM 0 HB THR A 111 -19.547 2.465 16.969 1.00 10.33 H new ATOM 0 HG1 THR A 111 -21.590 3.304 16.656 1.00 34.23 H new ATOM 0 HG21 THR A 111 -21.349 1.262 18.219 1.00 51.11 H new ATOM 0 HG22 THR A 111 -19.798 1.196 19.089 1.00 51.11 H new ATOM 0 HG23 THR A 111 -21.071 2.319 19.623 1.00 51.11 H new ATOM 1753 N MET A 112 -16.965 2.414 18.070 1.00 25.44 N ATOM 1754 CA MET A 112 -15.831 1.577 18.432 1.00 51.23 C ATOM 1755 C MET A 112 -14.815 2.256 19.342 1.00 22.45 C ATOM 1756 O MET A 112 -14.427 1.713 20.371 1.00 64.31 O ATOM 1757 CB MET A 112 -15.062 1.101 17.173 1.00 50.20 C ATOM 1758 CG MET A 112 -13.994 0.033 17.467 1.00 71.44 C ATOM 1759 SD MET A 112 -14.574 -1.498 18.274 1.00 10.11 S ATOM 1760 CE MET A 112 -16.030 -1.879 17.259 1.00 42.05 C ATOM 0 H MET A 112 -17.011 2.645 17.078 1.00 25.44 H new ATOM 0 HA MET A 112 -16.279 0.744 18.973 1.00 51.23 H new ATOM 0 HB2 MET A 112 -15.775 0.700 16.453 1.00 50.20 H new ATOM 0 HB3 MET A 112 -14.584 1.961 16.704 1.00 50.20 H new ATOM 0 HG2 MET A 112 -13.514 -0.238 16.526 1.00 71.44 H new ATOM 0 HG3 MET A 112 -13.227 0.482 18.098 1.00 71.44 H new ATOM 0 HE1 MET A 112 -16.427 -2.853 17.544 1.00 42.05 H new ATOM 0 HE2 MET A 112 -16.793 -1.116 17.416 1.00 42.05 H new ATOM 0 HE3 MET A 112 -15.746 -1.896 16.207 1.00 42.05 H new ATOM 1770 N LEU A 113 -14.375 3.485 18.992 1.00 33.12 N ATOM 1771 CA LEU A 113 -13.367 4.253 19.716 1.00 60.33 C ATOM 1772 C LEU A 113 -13.840 4.662 21.090 1.00 71.33 C ATOM 1773 O LEU A 113 -13.136 4.469 22.080 1.00 31.50 O ATOM 1774 CB LEU A 113 -13.010 5.467 18.838 1.00 45.51 C ATOM 1775 CG LEU A 113 -11.771 6.364 19.091 1.00 4.03 C ATOM 1776 CD1 LEU A 113 -12.025 7.812 18.618 1.00 1.12 C ATOM 1777 CD2 LEU A 113 -11.034 6.283 20.427 1.00 14.53 C ATOM 0 H LEU A 113 -14.730 3.975 18.171 1.00 33.12 H new ATOM 0 HA LEU A 113 -12.482 3.642 19.895 1.00 60.33 H new ATOM 0 HB2 LEU A 113 -12.917 5.093 17.818 1.00 45.51 H new ATOM 0 HB3 LEU A 113 -13.877 6.127 18.857 1.00 45.51 H new ATOM 0 HG LEU A 113 -11.021 5.887 18.460 1.00 4.03 H new ATOM 0 HD11 LEU A 113 -11.139 8.418 18.808 1.00 1.12 H new ATOM 0 HD12 LEU A 113 -12.243 7.813 17.550 1.00 1.12 H new ATOM 0 HD13 LEU A 113 -12.873 8.229 19.162 1.00 1.12 H new ATOM 0 HD21 LEU A 113 -10.196 6.980 20.423 1.00 14.53 H new ATOM 0 HD22 LEU A 113 -11.717 6.541 21.236 1.00 14.53 H new ATOM 0 HD23 LEU A 113 -10.662 5.269 20.576 1.00 14.53 H new ATOM 1789 N ASN A 114 -15.096 5.165 21.182 1.00 72.25 N ATOM 1790 CA ASN A 114 -15.725 5.566 22.436 1.00 2.54 C ATOM 1791 C ASN A 114 -15.872 4.360 23.344 1.00 42.02 C ATOM 1792 O ASN A 114 -15.620 4.430 24.546 1.00 72.00 O ATOM 1793 CB ASN A 114 -17.151 6.163 22.288 1.00 74.30 C ATOM 1794 CG ASN A 114 -17.139 7.517 21.581 1.00 4.35 C ATOM 1795 OD1 ASN A 114 -16.140 8.233 21.507 1.00 73.35 O ATOM 1796 ND2 ASN A 114 -18.332 7.885 21.037 1.00 22.30 N ATOM 0 H ASN A 114 -15.697 5.300 20.369 1.00 72.25 H new ATOM 0 HA ASN A 114 -15.068 6.338 22.837 1.00 2.54 H new ATOM 0 HB2 ASN A 114 -17.778 5.468 21.728 1.00 74.30 H new ATOM 0 HB3 ASN A 114 -17.601 6.274 23.275 1.00 74.30 H new ATOM 0 HD21 ASN A 114 -18.417 8.777 20.550 1.00 22.30 H new ATOM 0 HD22 ASN A 114 -19.141 7.268 21.116 1.00 22.30 H new ATOM 1803 N LEU A 115 -16.266 3.196 22.775 1.00 73.00 N ATOM 1804 CA LEU A 115 -16.332 1.951 23.505 1.00 32.31 C ATOM 1805 C LEU A 115 -14.992 1.503 23.995 1.00 15.34 C ATOM 1806 O LEU A 115 -14.838 1.127 25.148 1.00 64.51 O ATOM 1807 CB LEU A 115 -16.897 0.815 22.635 1.00 4.14 C ATOM 1808 CG LEU A 115 -16.992 -0.558 23.330 1.00 3.31 C ATOM 1809 CD1 LEU A 115 -15.732 -1.435 23.291 1.00 32.42 C ATOM 1810 CD2 LEU A 115 -17.652 -0.466 24.696 1.00 54.43 C ATOM 0 H LEU A 115 -16.543 3.116 21.797 1.00 73.00 H new ATOM 0 HA LEU A 115 -16.987 2.152 24.353 1.00 32.31 H new ATOM 0 HB2 LEU A 115 -17.892 1.101 22.293 1.00 4.14 H new ATOM 0 HB3 LEU A 115 -16.272 0.713 21.748 1.00 4.14 H new ATOM 0 HG LEU A 115 -17.667 -1.130 22.693 1.00 3.31 H new ATOM 0 HD11 LEU A 115 -15.925 -2.373 23.812 1.00 32.42 H new ATOM 0 HD12 LEU A 115 -15.466 -1.644 22.255 1.00 32.42 H new ATOM 0 HD13 LEU A 115 -14.909 -0.912 23.778 1.00 32.42 H new ATOM 0 HD21 LEU A 115 -17.696 -1.458 25.146 1.00 54.43 H new ATOM 0 HD22 LEU A 115 -17.071 0.198 25.337 1.00 54.43 H new ATOM 0 HD23 LEU A 115 -18.662 -0.072 24.586 1.00 54.43 H new ATOM 1822 N ALA A 116 -13.987 1.546 23.111 1.00 50.35 N ATOM 1823 CA ALA A 116 -12.645 1.065 23.355 1.00 3.34 C ATOM 1824 C ALA A 116 -11.995 1.843 24.466 1.00 62.53 C ATOM 1825 O ALA A 116 -11.360 1.274 25.354 1.00 41.21 O ATOM 1826 CB ALA A 116 -11.771 1.159 22.089 1.00 60.11 C ATOM 0 H ALA A 116 -14.103 1.934 22.175 1.00 50.35 H new ATOM 0 HA ALA A 116 -12.727 0.017 23.644 1.00 3.34 H new ATOM 0 HB1 ALA A 116 -10.770 0.789 22.310 1.00 60.11 H new ATOM 0 HB2 ALA A 116 -12.214 0.557 21.296 1.00 60.11 H new ATOM 0 HB3 ALA A 116 -11.711 2.198 21.765 1.00 60.11 H new ATOM 1832 N MET A 117 -12.178 3.185 24.449 1.00 54.21 N ATOM 1833 CA MET A 117 -11.658 4.043 25.478 1.00 25.31 C ATOM 1834 C MET A 117 -12.446 3.866 26.786 1.00 51.42 C ATOM 1835 O MET A 117 -11.859 3.977 27.856 1.00 25.32 O ATOM 1836 CB MET A 117 -11.578 5.519 24.959 1.00 41.25 C ATOM 1837 CG MET A 117 -12.916 6.265 24.849 1.00 1.23 C ATOM 1838 SD MET A 117 -12.819 7.928 24.107 1.00 40.12 S ATOM 1839 CE MET A 117 -11.839 8.768 25.385 1.00 33.31 C ATOM 0 H MET A 117 -12.690 3.676 23.716 1.00 54.21 H new ATOM 0 HA MET A 117 -10.635 3.757 25.722 1.00 25.31 H new ATOM 0 HB2 MET A 117 -10.924 6.083 25.624 1.00 41.25 H new ATOM 0 HB3 MET A 117 -11.106 5.513 23.977 1.00 41.25 H new ATOM 0 HG2 MET A 117 -13.603 5.660 24.257 1.00 1.23 H new ATOM 0 HG3 MET A 117 -13.347 6.354 25.846 1.00 1.23 H new ATOM 0 HE1 MET A 117 -11.844 9.842 25.200 1.00 33.31 H new ATOM 0 HE2 MET A 117 -12.271 8.567 26.365 1.00 33.31 H new ATOM 0 HE3 MET A 117 -10.813 8.400 25.358 1.00 33.31 H new ATOM 1849 N CYS A 118 -13.773 3.521 26.749 1.00 31.03 N ATOM 1850 CA CYS A 118 -14.528 3.082 27.938 1.00 11.11 C ATOM 1851 C CYS A 118 -14.096 1.719 28.465 1.00 42.24 C ATOM 1852 O CYS A 118 -13.838 1.555 29.657 1.00 1.21 O ATOM 1853 CB CYS A 118 -16.069 3.037 27.687 1.00 54.12 C ATOM 1854 SG CYS A 118 -17.125 2.563 29.121 1.00 21.54 S ATOM 0 H CYS A 118 -14.331 3.544 25.896 1.00 31.03 H new ATOM 0 HA CYS A 118 -14.297 3.838 28.688 1.00 11.11 H new ATOM 0 HB2 CYS A 118 -16.387 4.020 27.340 1.00 54.12 H new ATOM 0 HB3 CYS A 118 -16.262 2.335 26.875 1.00 54.12 H new ATOM 1859 N PHE A 119 -13.953 0.706 27.579 1.00 12.52 N ATOM 1860 CA PHE A 119 -13.448 -0.613 27.914 1.00 21.22 C ATOM 1861 C PHE A 119 -12.088 -0.636 28.568 1.00 2.21 C ATOM 1862 O PHE A 119 -11.890 -1.268 29.608 1.00 12.44 O ATOM 1863 CB PHE A 119 -13.415 -1.411 26.591 1.00 5.34 C ATOM 1864 CG PHE A 119 -12.753 -2.764 26.648 1.00 12.51 C ATOM 1865 CD1 PHE A 119 -11.389 -2.855 26.304 1.00 70.11 C ATOM 1866 CD2 PHE A 119 -13.427 -3.918 27.064 1.00 4.10 C ATOM 1867 CE1 PHE A 119 -10.709 -4.072 26.390 1.00 43.31 C ATOM 1868 CE2 PHE A 119 -12.742 -5.135 27.152 1.00 54.14 C ATOM 1869 CZ PHE A 119 -11.388 -5.215 26.820 1.00 51.14 C ATOM 0 H PHE A 119 -14.196 0.802 26.593 1.00 12.52 H new ATOM 0 HA PHE A 119 -14.108 -1.046 28.665 1.00 21.22 H new ATOM 0 HB2 PHE A 119 -14.440 -1.545 26.246 1.00 5.34 H new ATOM 0 HB3 PHE A 119 -12.902 -0.810 25.840 1.00 5.34 H new ATOM 0 HD1 PHE A 119 -10.863 -1.973 25.970 1.00 70.11 H new ATOM 0 HD2 PHE A 119 -14.476 -3.869 27.317 1.00 4.10 H new ATOM 0 HE1 PHE A 119 -9.663 -4.129 26.125 1.00 43.31 H new ATOM 0 HE2 PHE A 119 -13.266 -6.021 27.480 1.00 54.14 H new ATOM 0 HZ PHE A 119 -10.867 -6.158 26.895 1.00 51.14 H new ATOM 1879 N LYS A 120 -11.127 0.102 27.984 1.00 70.13 N ATOM 1880 CA LYS A 120 -9.794 0.243 28.490 1.00 22.32 C ATOM 1881 C LYS A 120 -9.786 0.887 29.863 1.00 52.11 C ATOM 1882 O LYS A 120 -8.948 0.599 30.716 1.00 24.12 O ATOM 1883 CB LYS A 120 -8.950 1.080 27.502 1.00 62.35 C ATOM 1884 CG LYS A 120 -7.478 1.262 27.901 1.00 11.11 C ATOM 1885 CD LYS A 120 -6.682 2.153 26.929 1.00 22.02 C ATOM 1886 CE LYS A 120 -7.139 3.616 26.844 1.00 11.33 C ATOM 1887 NZ LYS A 120 -6.882 4.326 28.114 1.00 10.13 N ATOM 0 H LYS A 120 -11.284 0.624 27.122 1.00 70.13 H new ATOM 0 HA LYS A 120 -9.360 -0.752 28.590 1.00 22.32 H new ATOM 0 HB2 LYS A 120 -8.989 0.606 26.521 1.00 62.35 H new ATOM 0 HB3 LYS A 120 -9.408 2.064 27.399 1.00 62.35 H new ATOM 0 HG2 LYS A 120 -7.432 1.696 28.900 1.00 11.11 H new ATOM 0 HG3 LYS A 120 -7.002 0.283 27.957 1.00 11.11 H new ATOM 0 HD2 LYS A 120 -5.633 2.135 27.225 1.00 22.02 H new ATOM 0 HD3 LYS A 120 -6.740 1.715 25.933 1.00 22.02 H new ATOM 0 HE2 LYS A 120 -6.615 4.118 26.030 1.00 11.33 H new ATOM 0 HE3 LYS A 120 -8.203 3.655 26.610 1.00 11.33 H new ATOM 0 HZ1 LYS A 120 -7.200 5.313 28.031 1.00 10.13 H new ATOM 0 HZ2 LYS A 120 -7.402 3.859 28.884 1.00 10.13 H new ATOM 0 HZ3 LYS A 120 -5.863 4.307 28.322 1.00 10.13 H new ATOM 1901 N ALA A 121 -10.754 1.795 30.097 1.00 73.11 N ATOM 1902 CA ALA A 121 -10.881 2.524 31.343 1.00 20.24 C ATOM 1903 C ALA A 121 -11.142 1.597 32.523 1.00 44.44 C ATOM 1904 O ALA A 121 -10.552 1.715 33.595 1.00 73.11 O ATOM 1905 CB ALA A 121 -12.027 3.549 31.225 1.00 15.42 C ATOM 0 H ALA A 121 -11.469 2.034 29.410 1.00 73.11 H new ATOM 0 HA ALA A 121 -9.936 3.035 31.528 1.00 20.24 H new ATOM 0 HB1 ALA A 121 -12.123 4.097 32.162 1.00 15.42 H new ATOM 0 HB2 ALA A 121 -11.809 4.247 30.417 1.00 15.42 H new ATOM 0 HB3 ALA A 121 -12.961 3.028 31.013 1.00 15.42 H new ATOM 1911 N GLU A 122 -12.046 0.621 32.308 1.00 22.43 N ATOM 1912 CA GLU A 122 -12.400 -0.412 33.247 1.00 2.12 C ATOM 1913 C GLU A 122 -11.277 -1.417 33.515 1.00 63.42 C ATOM 1914 O GLU A 122 -10.965 -1.679 34.667 1.00 1.30 O ATOM 1915 CB GLU A 122 -13.689 -1.092 32.728 1.00 15.13 C ATOM 1916 CG GLU A 122 -14.941 -0.168 32.746 1.00 24.13 C ATOM 1917 CD GLU A 122 -15.380 0.254 34.148 1.00 60.31 C ATOM 1918 OE1 GLU A 122 -15.283 1.470 34.457 1.00 2.34 O ATOM 1919 OE2 GLU A 122 -15.831 -0.635 34.917 1.00 45.43 O ATOM 0 H GLU A 122 -12.561 0.546 31.431 1.00 22.43 H new ATOM 0 HA GLU A 122 -12.576 0.043 34.222 1.00 2.12 H new ATOM 0 HB2 GLU A 122 -13.520 -1.438 31.708 1.00 15.13 H new ATOM 0 HB3 GLU A 122 -13.892 -1.974 33.335 1.00 15.13 H new ATOM 0 HG2 GLU A 122 -14.730 0.725 32.158 1.00 24.13 H new ATOM 0 HG3 GLU A 122 -15.768 -0.683 32.257 1.00 24.13 H new ATOM 1926 N ILE A 123 -10.558 -1.953 32.497 1.00 52.41 N ATOM 1927 CA ILE A 123 -9.390 -2.807 32.702 1.00 73.01 C ATOM 1928 C ILE A 123 -8.213 -2.117 33.363 1.00 5.14 C ATOM 1929 O ILE A 123 -7.404 -2.774 34.012 1.00 61.55 O ATOM 1930 CB ILE A 123 -8.923 -3.523 31.434 1.00 12.43 C ATOM 1931 CG1 ILE A 123 -8.418 -2.553 30.352 1.00 74.23 C ATOM 1932 CG2 ILE A 123 -10.062 -4.409 30.901 1.00 35.11 C ATOM 1933 CD1 ILE A 123 -8.043 -3.192 29.011 1.00 33.11 C ATOM 0 H ILE A 123 -10.783 -1.797 31.514 1.00 52.41 H new ATOM 0 HA ILE A 123 -9.760 -3.556 33.402 1.00 73.01 H new ATOM 0 HB ILE A 123 -8.068 -4.146 31.697 1.00 12.43 H new ATOM 0 HG12 ILE A 123 -9.189 -1.803 30.174 1.00 74.23 H new ATOM 0 HG13 ILE A 123 -7.546 -2.027 30.740 1.00 74.23 H new ATOM 0 HG21 ILE A 123 -9.732 -4.921 29.997 1.00 35.11 H new ATOM 0 HG22 ILE A 123 -10.334 -5.146 31.657 1.00 35.11 H new ATOM 0 HG23 ILE A 123 -10.928 -3.789 30.671 1.00 35.11 H new ATOM 0 HD11 ILE A 123 -7.701 -2.419 28.323 1.00 33.11 H new ATOM 0 HD12 ILE A 123 -7.246 -3.920 29.165 1.00 33.11 H new ATOM 0 HD13 ILE A 123 -8.915 -3.692 28.590 1.00 33.11 H new ATOM 1945 N HIS A 124 -8.107 -0.771 33.265 1.00 62.43 N ATOM 1946 CA HIS A 124 -7.131 0.012 34.005 1.00 35.32 C ATOM 1947 C HIS A 124 -7.387 -0.053 35.516 1.00 3.44 C ATOM 1948 O HIS A 124 -6.458 0.013 36.319 1.00 22.43 O ATOM 1949 CB HIS A 124 -7.104 1.501 33.553 1.00 61.21 C ATOM 1950 CG HIS A 124 -5.855 2.241 33.983 1.00 60.00 C ATOM 1951 ND1 HIS A 124 -5.495 2.397 35.293 1.00 64.40 N ATOM 1952 CD2 HIS A 124 -4.813 2.679 33.240 1.00 13.11 C ATOM 1953 CE1 HIS A 124 -4.281 2.910 35.347 1.00 55.23 C ATOM 1954 NE2 HIS A 124 -3.842 3.084 34.115 1.00 13.12 N ATOM 0 H HIS A 124 -8.708 -0.209 32.662 1.00 62.43 H new ATOM 0 HA HIS A 124 -6.160 -0.432 33.786 1.00 35.32 H new ATOM 0 HB2 HIS A 124 -7.186 1.544 32.467 1.00 61.21 H new ATOM 0 HB3 HIS A 124 -7.977 2.012 33.959 1.00 61.21 H new ATOM 0 HD2 HIS A 124 -4.758 2.704 32.162 1.00 13.11 H new ATOM 0 HE1 HIS A 124 -3.737 3.148 36.249 1.00 55.23 H new ATOM 0 HE2 HIS A 124 -2.929 3.459 33.857 1.00 13.12 H new ATOM 1963 N LYS A 125 -8.671 -0.100 35.955 1.00 30.31 N ATOM 1964 CA LYS A 125 -9.034 -0.015 37.365 1.00 20.13 C ATOM 1965 C LYS A 125 -8.751 -1.312 38.122 1.00 72.43 C ATOM 1966 O LYS A 125 -8.588 -1.328 39.341 1.00 15.32 O ATOM 1967 CB LYS A 125 -10.534 0.382 37.535 1.00 3.13 C ATOM 1968 CG LYS A 125 -11.565 -0.756 37.687 1.00 32.24 C ATOM 1969 CD LYS A 125 -13.024 -0.279 37.642 1.00 54.15 C ATOM 1970 CE LYS A 125 -14.012 -1.426 37.862 1.00 2.40 C ATOM 1971 NZ LYS A 125 -15.395 -0.934 37.714 1.00 71.21 N ATOM 0 H LYS A 125 -9.471 -0.198 35.330 1.00 30.31 H new ATOM 0 HA LYS A 125 -8.406 0.764 37.797 1.00 20.13 H new ATOM 0 HB2 LYS A 125 -10.613 1.025 38.411 1.00 3.13 H new ATOM 0 HB3 LYS A 125 -10.822 0.982 36.672 1.00 3.13 H new ATOM 0 HG2 LYS A 125 -11.406 -1.486 36.893 1.00 32.24 H new ATOM 0 HG3 LYS A 125 -11.389 -1.269 38.632 1.00 32.24 H new ATOM 0 HD2 LYS A 125 -13.179 0.484 38.405 1.00 54.15 H new ATOM 0 HD3 LYS A 125 -13.222 0.190 36.678 1.00 54.15 H new ATOM 0 HE2 LYS A 125 -13.822 -2.224 37.144 1.00 2.40 H new ATOM 0 HE3 LYS A 125 -13.873 -1.852 38.856 1.00 2.40 H new ATOM 0 HZ1 LYS A 125 -16.055 -1.626 38.122 1.00 71.21 H new ATOM 0 HZ2 LYS A 125 -15.495 -0.026 38.211 1.00 71.21 H new ATOM 0 HZ3 LYS A 125 -15.611 -0.802 36.705 1.00 71.21 H new ATOM 1985 N LEU A 126 -8.736 -2.439 37.378 1.00 11.01 N ATOM 1986 CA LEU A 126 -8.670 -3.807 37.852 1.00 1.25 C ATOM 1987 C LEU A 126 -7.350 -4.206 38.485 1.00 11.55 C ATOM 1988 O LEU A 126 -6.282 -3.665 38.214 1.00 2.22 O ATOM 1989 CB LEU A 126 -9.009 -4.801 36.705 1.00 14.53 C ATOM 1990 CG LEU A 126 -10.469 -4.686 36.208 1.00 55.21 C ATOM 1991 CD1 LEU A 126 -10.667 -5.332 34.829 1.00 42.35 C ATOM 1992 CD2 LEU A 126 -11.479 -5.271 37.208 1.00 14.44 C ATOM 0 H LEU A 126 -8.773 -2.395 36.360 1.00 11.01 H new ATOM 0 HA LEU A 126 -9.414 -3.858 38.647 1.00 1.25 H new ATOM 0 HB2 LEU A 126 -8.333 -4.624 35.869 1.00 14.53 H new ATOM 0 HB3 LEU A 126 -8.829 -5.819 37.051 1.00 14.53 H new ATOM 0 HG LEU A 126 -10.662 -3.617 36.118 1.00 55.21 H new ATOM 0 HD11 LEU A 126 -11.708 -5.225 34.523 1.00 42.35 H new ATOM 0 HD12 LEU A 126 -10.023 -4.840 34.101 1.00 42.35 H new ATOM 0 HD13 LEU A 126 -10.411 -6.390 34.883 1.00 42.35 H new ATOM 0 HD21 LEU A 126 -12.488 -5.165 36.810 1.00 14.44 H new ATOM 0 HD22 LEU A 126 -11.262 -6.327 37.369 1.00 14.44 H new ATOM 0 HD23 LEU A 126 -11.404 -4.737 38.155 1.00 14.44 H new ATOM 2004 N ASP A 127 -7.423 -5.212 39.386 1.00 24.51 N ATOM 2005 CA ASP A 127 -6.296 -5.720 40.142 1.00 62.53 C ATOM 2006 C ASP A 127 -5.510 -6.770 39.350 1.00 11.03 C ATOM 2007 O ASP A 127 -4.522 -7.311 39.841 1.00 13.35 O ATOM 2008 CB ASP A 127 -6.824 -6.281 41.497 1.00 5.44 C ATOM 2009 CG ASP A 127 -5.713 -6.598 42.499 1.00 35.24 C ATOM 2010 OD1 ASP A 127 -5.657 -7.767 42.960 1.00 15.55 O ATOM 2011 OD2 ASP A 127 -4.945 -5.660 42.835 1.00 21.34 O ATOM 0 H ASP A 127 -8.297 -5.693 39.600 1.00 24.51 H new ATOM 0 HA ASP A 127 -5.593 -4.911 40.339 1.00 62.53 H new ATOM 0 HB2 ASP A 127 -7.507 -5.556 41.940 1.00 5.44 H new ATOM 0 HB3 ASP A 127 -7.400 -7.186 41.307 1.00 5.44 H new ATOM 2016 N TRP A 128 -5.928 -7.078 38.104 1.00 54.13 N ATOM 2017 CA TRP A 128 -5.228 -7.993 37.224 1.00 62.31 C ATOM 2018 C TRP A 128 -5.106 -7.288 35.887 1.00 22.23 C ATOM 2019 O TRP A 128 -5.921 -6.422 35.571 1.00 4.42 O ATOM 2020 CB TRP A 128 -5.969 -9.358 37.058 1.00 22.41 C ATOM 2021 CG TRP A 128 -7.328 -9.239 36.394 1.00 73.01 C ATOM 2022 CD1 TRP A 128 -8.456 -8.702 36.932 1.00 73.42 C ATOM 2023 CD2 TRP A 128 -7.614 -9.504 35.009 1.00 3.13 C ATOM 2024 NE1 TRP A 128 -9.419 -8.549 35.962 1.00 12.21 N ATOM 2025 CE2 TRP A 128 -8.923 -9.037 34.770 1.00 72.04 C ATOM 2026 CE3 TRP A 128 -6.848 -10.062 33.989 1.00 25.43 C ATOM 2027 CZ2 TRP A 128 -9.481 -9.101 33.497 1.00 32.20 C ATOM 2028 CZ3 TRP A 128 -7.428 -10.167 32.717 1.00 31.23 C ATOM 2029 CH2 TRP A 128 -8.718 -9.675 32.467 1.00 51.24 C ATOM 0 H TRP A 128 -6.774 -6.685 37.691 1.00 54.13 H new ATOM 0 HA TRP A 128 -4.254 -8.240 37.647 1.00 62.31 H new ATOM 0 HB2 TRP A 128 -5.345 -10.031 36.470 1.00 22.41 H new ATOM 0 HB3 TRP A 128 -6.093 -9.815 38.040 1.00 22.41 H new ATOM 0 HD1 TRP A 128 -8.578 -8.434 37.971 1.00 73.42 H new ATOM 0 HE1 TRP A 128 -10.344 -8.143 36.100 1.00 12.21 H new ATOM 0 HE3 TRP A 128 -5.840 -10.403 34.172 1.00 25.43 H new ATOM 0 HZ2 TRP A 128 -10.473 -8.720 33.306 1.00 32.20 H new ATOM 0 HZ3 TRP A 128 -6.873 -10.634 31.917 1.00 31.23 H new ATOM 0 HH2 TRP A 128 -9.129 -9.738 31.470 1.00 51.24 H new ATOM 2040 N ALA A 129 -4.085 -7.630 35.074 1.00 52.35 N ATOM 2041 CA ALA A 129 -3.872 -6.983 33.799 1.00 24.32 C ATOM 2042 C ALA A 129 -4.028 -7.970 32.646 1.00 74.12 C ATOM 2043 O ALA A 129 -3.254 -8.927 32.583 1.00 4.34 O ATOM 2044 CB ALA A 129 -2.470 -6.354 33.741 1.00 71.32 C ATOM 0 H ALA A 129 -3.403 -8.355 35.295 1.00 52.35 H new ATOM 0 HA ALA A 129 -4.626 -6.202 33.698 1.00 24.32 H new ATOM 0 HB1 ALA A 129 -2.327 -5.872 32.774 1.00 71.32 H new ATOM 0 HB2 ALA A 129 -2.370 -5.613 34.534 1.00 71.32 H new ATOM 0 HB3 ALA A 129 -1.717 -7.131 33.873 1.00 71.32 H new ATOM 2050 N PRO A 130 -4.962 -7.823 31.702 1.00 61.21 N ATOM 2051 CA PRO A 130 -4.860 -8.465 30.391 1.00 52.21 C ATOM 2052 C PRO A 130 -3.739 -7.806 29.593 1.00 43.43 C ATOM 2053 O PRO A 130 -3.495 -6.608 29.734 1.00 5.02 O ATOM 2054 CB PRO A 130 -6.241 -8.197 29.770 1.00 75.32 C ATOM 2055 CG PRO A 130 -6.696 -6.874 30.390 1.00 71.31 C ATOM 2056 CD PRO A 130 -6.134 -6.941 31.805 1.00 2.50 C ATOM 0 HA PRO A 130 -4.623 -9.528 30.423 1.00 52.21 H new ATOM 0 HB2 PRO A 130 -6.180 -8.125 28.684 1.00 75.32 H new ATOM 0 HB3 PRO A 130 -6.940 -9.002 29.997 1.00 75.32 H new ATOM 0 HG2 PRO A 130 -6.305 -6.017 29.842 1.00 71.31 H new ATOM 0 HG3 PRO A 130 -7.782 -6.783 30.392 1.00 71.31 H new ATOM 0 HD2 PRO A 130 -5.854 -5.952 32.167 1.00 2.50 H new ATOM 0 HD3 PRO A 130 -6.869 -7.340 32.504 1.00 2.50 H new ATOM 2064 N THR A 131 -3.049 -8.571 28.721 1.00 34.13 N ATOM 2065 CA THR A 131 -2.194 -8.005 27.686 1.00 23.01 C ATOM 2066 C THR A 131 -3.059 -7.588 26.519 1.00 44.45 C ATOM 2067 O THR A 131 -4.225 -7.969 26.415 1.00 65.10 O ATOM 2068 CB THR A 131 -1.045 -8.932 27.262 1.00 15.05 C ATOM 2069 OG1 THR A 131 -0.166 -8.313 26.326 1.00 24.12 O ATOM 2070 CG2 THR A 131 -1.554 -10.269 26.693 1.00 12.24 C ATOM 0 H THR A 131 -3.076 -9.591 28.724 1.00 34.13 H new ATOM 0 HA THR A 131 -1.692 -7.130 28.099 1.00 23.01 H new ATOM 0 HB THR A 131 -0.484 -9.138 28.173 1.00 15.05 H new ATOM 0 HG1 THR A 131 0.550 -8.938 26.086 1.00 24.12 H new ATOM 0 HG21 THR A 131 -0.705 -10.890 26.407 1.00 12.24 H new ATOM 0 HG22 THR A 131 -2.143 -10.786 27.450 1.00 12.24 H new ATOM 0 HG23 THR A 131 -2.175 -10.079 25.818 1.00 12.24 H new ATOM 2078 N LEU A 132 -2.511 -6.781 25.588 1.00 4.21 N ATOM 2079 CA LEU A 132 -3.249 -6.208 24.476 1.00 51.11 C ATOM 2080 C LEU A 132 -3.804 -7.285 23.568 1.00 33.22 C ATOM 2081 O LEU A 132 -4.903 -7.139 23.045 1.00 21.42 O ATOM 2082 CB LEU A 132 -2.428 -5.197 23.625 1.00 63.11 C ATOM 2083 CG LEU A 132 -2.082 -3.847 24.311 1.00 23.44 C ATOM 2084 CD1 LEU A 132 -3.322 -3.146 24.896 1.00 51.12 C ATOM 2085 CD2 LEU A 132 -0.957 -3.948 25.355 1.00 13.20 C ATOM 0 H LEU A 132 -1.527 -6.513 25.600 1.00 4.21 H new ATOM 0 HA LEU A 132 -4.064 -5.653 24.940 1.00 51.11 H new ATOM 0 HB2 LEU A 132 -1.497 -5.678 23.325 1.00 63.11 H new ATOM 0 HB3 LEU A 132 -2.985 -4.985 22.713 1.00 63.11 H new ATOM 0 HG LEU A 132 -1.695 -3.222 23.506 1.00 23.44 H new ATOM 0 HD11 LEU A 132 -3.023 -2.208 25.363 1.00 51.12 H new ATOM 0 HD12 LEU A 132 -4.035 -2.942 24.097 1.00 51.12 H new ATOM 0 HD13 LEU A 132 -3.787 -3.791 25.642 1.00 51.12 H new ATOM 0 HD21 LEU A 132 -0.774 -2.965 25.789 1.00 13.20 H new ATOM 0 HD22 LEU A 132 -1.252 -4.643 26.142 1.00 13.20 H new ATOM 0 HD23 LEU A 132 -0.047 -4.308 24.875 1.00 13.20 H new ATOM 2097 N ASP A 133 -3.087 -8.426 23.425 1.00 60.51 N ATOM 2098 CA ASP A 133 -3.501 -9.540 22.580 1.00 31.14 C ATOM 2099 C ASP A 133 -4.853 -10.116 23.001 1.00 4.34 C ATOM 2100 O ASP A 133 -5.693 -10.400 22.160 1.00 35.22 O ATOM 2101 CB ASP A 133 -2.462 -10.700 22.618 1.00 10.02 C ATOM 2102 CG ASP A 133 -1.164 -10.376 21.882 1.00 5.43 C ATOM 2103 OD1 ASP A 133 -0.214 -11.186 22.040 1.00 42.10 O ATOM 2104 OD2 ASP A 133 -1.096 -9.334 21.183 1.00 13.43 O ATOM 0 H ASP A 133 -2.200 -8.587 23.903 1.00 60.51 H new ATOM 0 HA ASP A 133 -3.577 -9.130 21.573 1.00 31.14 H new ATOM 0 HB2 ASP A 133 -2.232 -10.938 23.657 1.00 10.02 H new ATOM 0 HB3 ASP A 133 -2.908 -11.592 22.178 1.00 10.02 H new ATOM 2109 N VAL A 134 -5.080 -10.274 24.316 1.00 52.34 N ATOM 2110 CA VAL A 134 -6.335 -10.682 24.939 1.00 34.10 C ATOM 2111 C VAL A 134 -7.323 -9.559 25.148 1.00 20.11 C ATOM 2112 O VAL A 134 -8.500 -9.710 24.819 1.00 11.33 O ATOM 2113 CB VAL A 134 -6.122 -11.507 26.189 1.00 52.11 C ATOM 2114 CG1 VAL A 134 -5.139 -10.851 27.122 1.00 73.40 C ATOM 2115 CG2 VAL A 134 -7.423 -11.884 26.923 1.00 4.45 C ATOM 0 H VAL A 134 -4.346 -10.109 25.005 1.00 52.34 H new ATOM 0 HA VAL A 134 -6.808 -11.334 24.205 1.00 34.10 H new ATOM 0 HB VAL A 134 -5.697 -12.449 25.844 1.00 52.11 H new ATOM 0 HG11 VAL A 134 -5.010 -11.471 28.009 1.00 73.40 H new ATOM 0 HG12 VAL A 134 -4.180 -10.736 26.617 1.00 73.40 H new ATOM 0 HG13 VAL A 134 -5.515 -9.871 27.416 1.00 73.40 H new ATOM 0 HG21 VAL A 134 -7.184 -12.474 27.807 1.00 4.45 H new ATOM 0 HG22 VAL A 134 -7.947 -10.977 27.223 1.00 4.45 H new ATOM 0 HG23 VAL A 134 -8.060 -12.468 26.258 1.00 4.45 H new ATOM 2125 N ALA A 135 -6.876 -8.381 25.652 1.00 74.30 N ATOM 2126 CA ALA A 135 -7.745 -7.249 25.906 1.00 50.14 C ATOM 2127 C ALA A 135 -8.383 -6.696 24.660 1.00 75.25 C ATOM 2128 O ALA A 135 -9.595 -6.506 24.617 1.00 0.22 O ATOM 2129 CB ALA A 135 -6.977 -6.108 26.596 1.00 45.31 C ATOM 0 H ALA A 135 -5.899 -8.209 25.887 1.00 74.30 H new ATOM 0 HA ALA A 135 -8.533 -7.632 26.554 1.00 50.14 H new ATOM 0 HB1 ALA A 135 -7.652 -5.271 26.775 1.00 45.31 H new ATOM 0 HB2 ALA A 135 -6.577 -6.461 27.546 1.00 45.31 H new ATOM 0 HB3 ALA A 135 -6.157 -5.782 25.956 1.00 45.31 H new ATOM 2135 N VAL A 136 -7.605 -6.473 23.576 1.00 53.23 N ATOM 2136 CA VAL A 136 -8.223 -6.043 22.340 1.00 33.12 C ATOM 2137 C VAL A 136 -8.794 -7.247 21.657 1.00 13.13 C ATOM 2138 O VAL A 136 -9.755 -7.144 20.907 1.00 44.13 O ATOM 2139 CB VAL A 136 -7.327 -5.317 21.344 1.00 20.24 C ATOM 2140 CG1 VAL A 136 -6.471 -4.288 22.095 1.00 15.44 C ATOM 2141 CG2 VAL A 136 -6.541 -6.179 20.341 1.00 14.44 C ATOM 0 H VAL A 136 -6.591 -6.583 23.547 1.00 53.23 H new ATOM 0 HA VAL A 136 -8.969 -5.308 22.641 1.00 33.12 H new ATOM 0 HB VAL A 136 -8.000 -4.804 20.657 1.00 20.24 H new ATOM 0 HG11 VAL A 136 -5.827 -3.765 21.388 1.00 15.44 H new ATOM 0 HG12 VAL A 136 -7.121 -3.569 22.595 1.00 15.44 H new ATOM 0 HG13 VAL A 136 -5.856 -4.798 22.837 1.00 15.44 H new ATOM 0 HG21 VAL A 136 -5.947 -5.534 19.694 1.00 14.44 H new ATOM 0 HG22 VAL A 136 -5.881 -6.857 20.883 1.00 14.44 H new ATOM 0 HG23 VAL A 136 -7.238 -6.758 19.735 1.00 14.44 H new ATOM 2151 N GLY A 137 -8.195 -8.440 21.880 1.00 24.04 N ATOM 2152 CA GLY A 137 -8.584 -9.628 21.147 1.00 31.00 C ATOM 2153 C GLY A 137 -9.989 -10.064 21.398 1.00 4.42 C ATOM 2154 O GLY A 137 -10.688 -10.417 20.457 1.00 54.24 O ATOM 0 H GLY A 137 -7.449 -8.587 22.559 1.00 24.04 H new ATOM 0 HA2 GLY A 137 -8.457 -9.442 20.080 1.00 31.00 H new ATOM 0 HA3 GLY A 137 -7.909 -10.442 21.411 1.00 31.00 H new ATOM 2158 N GLU A 138 -10.467 -10.030 22.665 1.00 24.12 N ATOM 2159 CA GLU A 138 -11.857 -10.347 22.946 1.00 44.22 C ATOM 2160 C GLU A 138 -12.834 -9.346 22.343 1.00 54.24 C ATOM 2161 O GLU A 138 -13.914 -9.724 21.889 1.00 31.24 O ATOM 2162 CB GLU A 138 -12.177 -10.503 24.449 1.00 32.43 C ATOM 2163 CG GLU A 138 -11.313 -11.620 25.066 1.00 60.21 C ATOM 2164 CD GLU A 138 -11.943 -12.239 26.304 1.00 50.30 C ATOM 2165 OE1 GLU A 138 -11.414 -11.993 27.414 1.00 54.33 O ATOM 2166 OE2 GLU A 138 -12.897 -13.038 26.124 1.00 53.43 O ATOM 0 H GLU A 138 -9.909 -9.789 23.484 1.00 24.12 H new ATOM 0 HA GLU A 138 -11.992 -11.316 22.466 1.00 44.22 H new ATOM 0 HB2 GLU A 138 -11.991 -9.562 24.967 1.00 32.43 H new ATOM 0 HB3 GLU A 138 -13.234 -10.736 24.581 1.00 32.43 H new ATOM 0 HG2 GLU A 138 -11.148 -12.398 24.321 1.00 60.21 H new ATOM 0 HG3 GLU A 138 -10.335 -11.215 25.326 1.00 60.21 H new ATOM 2173 N LEU A 139 -12.458 -8.042 22.301 1.00 13.32 N ATOM 2174 CA LEU A 139 -13.205 -7.002 21.626 1.00 23.54 C ATOM 2175 C LEU A 139 -13.266 -7.228 20.169 1.00 73.12 C ATOM 2176 O LEU A 139 -14.339 -7.300 19.577 1.00 31.31 O ATOM 2177 CB LEU A 139 -12.534 -5.611 21.707 1.00 1.20 C ATOM 2178 CG LEU A 139 -12.667 -4.892 23.027 1.00 63.12 C ATOM 2179 CD1 LEU A 139 -11.749 -3.658 23.058 1.00 4.03 C ATOM 2180 CD2 LEU A 139 -14.125 -4.443 23.146 1.00 41.21 C ATOM 0 H LEU A 139 -11.609 -7.700 22.750 1.00 13.32 H new ATOM 0 HA LEU A 139 -14.173 -7.032 22.125 1.00 23.54 H new ATOM 0 HB2 LEU A 139 -11.473 -5.727 21.483 1.00 1.20 H new ATOM 0 HB3 LEU A 139 -12.957 -4.979 20.926 1.00 1.20 H new ATOM 0 HG LEU A 139 -12.383 -5.548 23.850 1.00 63.12 H new ATOM 0 HD11 LEU A 139 -11.856 -3.149 24.016 1.00 4.03 H new ATOM 0 HD12 LEU A 139 -10.713 -3.972 22.927 1.00 4.03 H new ATOM 0 HD13 LEU A 139 -12.027 -2.978 22.253 1.00 4.03 H new ATOM 0 HD21 LEU A 139 -14.268 -3.916 24.090 1.00 41.21 H new ATOM 0 HD22 LEU A 139 -14.369 -3.777 22.318 1.00 41.21 H new ATOM 0 HD23 LEU A 139 -14.778 -5.315 23.115 1.00 41.21 H new ATOM 2192 N LEU A 140 -12.079 -7.375 19.562 1.00 64.03 N ATOM 2193 CA LEU A 140 -12.011 -7.521 18.134 1.00 33.10 C ATOM 2194 C LEU A 140 -12.621 -8.830 17.652 1.00 51.43 C ATOM 2195 O LEU A 140 -13.356 -8.850 16.672 1.00 74.02 O ATOM 2196 CB LEU A 140 -10.562 -7.348 17.605 1.00 43.34 C ATOM 2197 CG LEU A 140 -9.955 -5.929 17.761 1.00 23.13 C ATOM 2198 CD1 LEU A 140 -8.563 -5.860 17.102 1.00 35.20 C ATOM 2199 CD2 LEU A 140 -10.834 -4.778 17.258 1.00 4.35 C ATOM 0 H LEU A 140 -11.179 -7.394 20.042 1.00 64.03 H new ATOM 0 HA LEU A 140 -12.615 -6.716 17.715 1.00 33.10 H new ATOM 0 HB2 LEU A 140 -9.918 -8.058 18.124 1.00 43.34 H new ATOM 0 HB3 LEU A 140 -10.546 -7.616 16.549 1.00 43.34 H new ATOM 0 HG LEU A 140 -9.877 -5.779 18.838 1.00 23.13 H new ATOM 0 HD11 LEU A 140 -8.153 -4.857 17.222 1.00 35.20 H new ATOM 0 HD12 LEU A 140 -7.899 -6.582 17.577 1.00 35.20 H new ATOM 0 HD13 LEU A 140 -8.651 -6.092 16.041 1.00 35.20 H new ATOM 0 HD21 LEU A 140 -10.317 -3.831 17.413 1.00 4.35 H new ATOM 0 HD22 LEU A 140 -11.035 -4.912 16.195 1.00 4.35 H new ATOM 0 HD23 LEU A 140 -11.775 -4.772 17.807 1.00 4.35 H new ATOM 2211 N ALA A 141 -12.403 -9.955 18.365 1.00 52.31 N ATOM 2212 CA ALA A 141 -13.061 -11.208 18.065 1.00 44.11 C ATOM 2213 C ALA A 141 -14.576 -11.175 18.183 1.00 44.44 C ATOM 2214 O ALA A 141 -15.259 -11.827 17.402 1.00 74.53 O ATOM 2215 CB ALA A 141 -12.554 -12.344 18.972 1.00 62.42 C ATOM 0 H ALA A 141 -11.765 -10.002 19.159 1.00 52.31 H new ATOM 0 HA ALA A 141 -12.807 -11.387 17.020 1.00 44.11 H new ATOM 0 HB1 ALA A 141 -13.070 -13.270 18.718 1.00 62.42 H new ATOM 0 HB2 ALA A 141 -11.482 -12.475 18.826 1.00 62.42 H new ATOM 0 HB3 ALA A 141 -12.751 -12.093 20.014 1.00 62.42 H new ATOM 2221 N ASP A 142 -15.151 -10.467 19.180 1.00 71.23 N ATOM 2222 CA ASP A 142 -16.590 -10.343 19.306 1.00 2.45 C ATOM 2223 C ASP A 142 -17.162 -9.294 18.336 1.00 53.44 C ATOM 2224 O ASP A 142 -18.332 -9.357 17.972 1.00 21.21 O ATOM 2225 CB ASP A 142 -16.934 -10.039 20.790 1.00 1.14 C ATOM 2226 CG ASP A 142 -18.427 -10.140 21.082 1.00 70.14 C ATOM 2227 OD1 ASP A 142 -19.038 -9.077 21.362 1.00 31.43 O ATOM 2228 OD2 ASP A 142 -18.955 -11.282 21.050 1.00 1.13 O ATOM 0 H ASP A 142 -14.624 -9.977 19.903 1.00 71.23 H new ATOM 0 HA ASP A 142 -17.064 -11.283 19.023 1.00 2.45 H new ATOM 0 HB2 ASP A 142 -16.395 -10.734 21.433 1.00 1.14 H new ATOM 0 HB3 ASP A 142 -16.586 -9.037 21.041 1.00 1.14 H new ATOM 2233 N THR A 143 -16.359 -8.294 17.904 1.00 11.13 N ATOM 2234 CA THR A 143 -16.809 -7.175 17.057 1.00 24.12 C ATOM 2235 C THR A 143 -17.427 -7.573 15.696 1.00 42.43 C ATOM 2236 O THR A 143 -16.732 -8.239 14.880 1.00 0.00 O ATOM 2237 CB THR A 143 -15.715 -6.140 16.795 1.00 61.14 C ATOM 2238 OG1 THR A 143 -15.406 -5.447 17.995 1.00 71.45 O ATOM 2239 CG2 THR A 143 -16.103 -5.085 15.739 1.00 25.02 C ATOM 2240 OXT THR A 143 -18.599 -7.181 15.448 1.00 0.00 O ATOM 0 H THR A 143 -15.368 -8.245 18.140 1.00 11.13 H new ATOM 0 HA THR A 143 -17.603 -6.741 17.666 1.00 24.12 H new ATOM 0 HB THR A 143 -14.862 -6.703 16.417 1.00 61.14 H new ATOM 0 HG1 THR A 143 -15.250 -6.093 18.715 1.00 71.45 H new ATOM 0 HG21 THR A 143 -15.279 -4.384 15.605 1.00 25.02 H new ATOM 0 HG22 THR A 143 -16.316 -5.580 14.791 1.00 25.02 H new ATOM 0 HG23 THR A 143 -16.989 -4.544 16.073 1.00 25.02 H new TER 2248 THR A 143