USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 637 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 37 GLN : amide:sc= -0.0324 K(o=0.7,f=-7.2!) USER MOD Set 1.2: A 51 TYR OH : rot -30:sc= 0.543 USER MOD Set 1.3: A 58 SER OG : rot -93:sc= 0.184 USER MOD Set 2.1: A 13 THR OG1 : rot -77:sc= 0.569 USER MOD Set 2.2: A 14 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 3 ASN : amide:sc= -0.0132 K(o=-0.013,f=-0.65) USER MOD Set 3.3: A 5 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.0134) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.00612) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= -0.232 X(o=-0.23,f=-0.28) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -155:sc= -0.1 (180deg=-0.454) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -13:sc= -0.805 USER MOD Single : A 25 ASN : amide:sc= -0.847 K(o=-0.85,f=-0.16) USER MOD Single : A 28 HIS : no HD1:sc= -0.015 X(o=-0.015,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -2.48 K(o=-2.5,f=-1.4) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -0.315 X(o=-0.31,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= -0.0645 USER MOD Single : A 49 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0174) USER MOD Single : A 54 ASN : amide:sc= -0.164 K(o=-0.16,f=0.59) USER MOD Single : A 57 THR OG1 : rot -19:sc= 0.203 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.0132 K(o=-0.013,f=-1.5!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.0052) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.467 -3.372 0.349 1.00 70.42 N ATOM 2 CA GLY A 1 -14.067 -1.983 0.472 1.00 52.22 C ATOM 3 C GLY A 1 -12.656 -1.739 -0.026 1.00 74.12 C ATOM 4 O GLY A 1 -12.417 -1.685 -1.233 1.00 15.45 O ATOM 0 H1 GLY A 1 -15.438 -3.486 0.703 1.00 70.42 H new ATOM 0 H2 GLY A 1 -14.426 -3.658 -0.650 1.00 70.42 H new ATOM 0 H3 GLY A 1 -13.823 -3.969 0.906 1.00 70.42 H new ATOM 0 HA2 GLY A 1 -14.760 -1.357 -0.090 1.00 52.22 H new ATOM 0 HA3 GLY A 1 -14.138 -1.679 1.516 1.00 52.22 H new ATOM 8 N SER A 2 -11.719 -1.590 0.905 1.00 73.54 N ATOM 9 CA SER A 2 -10.325 -1.346 0.554 1.00 53.54 C ATOM 10 C SER A 2 -9.525 -2.644 0.568 1.00 72.51 C ATOM 11 O SER A 2 -8.998 -3.050 1.603 1.00 41.12 O ATOM 12 CB SER A 2 -9.703 -0.339 1.523 1.00 4.00 C ATOM 13 OG SER A 2 -8.296 -0.280 1.363 1.00 41.34 O ATOM 0 H SER A 2 -11.900 -1.634 1.908 1.00 73.54 H new ATOM 0 HA SER A 2 -10.297 -0.934 -0.455 1.00 53.54 H new ATOM 0 HB2 SER A 2 -10.133 0.648 1.353 1.00 4.00 H new ATOM 0 HB3 SER A 2 -9.944 -0.619 2.548 1.00 4.00 H new ATOM 0 HG SER A 2 -7.922 0.372 1.992 1.00 41.34 H new ATOM 19 N ASN A 3 -9.440 -3.292 -0.589 1.00 61.35 N ATOM 20 CA ASN A 3 -8.705 -4.546 -0.711 1.00 61.02 C ATOM 21 C ASN A 3 -8.574 -4.960 -2.174 1.00 4.31 C ATOM 22 O ASN A 3 -9.454 -4.685 -2.988 1.00 12.51 O ATOM 23 CB ASN A 3 -9.405 -5.651 0.082 1.00 33.00 C ATOM 24 CG ASN A 3 -10.766 -5.999 -0.490 1.00 30.53 C ATOM 25 OD1 ASN A 3 -11.669 -5.164 -0.525 1.00 14.22 O ATOM 26 ND2 ASN A 3 -10.918 -7.239 -0.941 1.00 32.12 N ATOM 0 H ASN A 3 -9.871 -2.970 -1.456 1.00 61.35 H new ATOM 0 HA ASN A 3 -7.705 -4.393 -0.304 1.00 61.02 H new ATOM 0 HB2 ASN A 3 -8.778 -6.543 0.089 1.00 33.00 H new ATOM 0 HB3 ASN A 3 -9.520 -5.334 1.119 1.00 33.00 H new ATOM 0 HD21 ASN A 3 -11.811 -7.532 -1.336 1.00 32.12 H new ATOM 0 HD22 ASN A 3 -10.141 -7.898 -0.892 1.00 32.12 H new ATOM 33 N GLU A 4 -7.468 -5.623 -2.499 1.00 10.32 N ATOM 34 CA GLU A 4 -7.222 -6.074 -3.863 1.00 61.03 C ATOM 35 C GLU A 4 -8.111 -7.264 -4.211 1.00 72.35 C ATOM 36 O GLU A 4 -8.467 -8.063 -3.345 1.00 13.24 O ATOM 37 CB GLU A 4 -5.750 -6.454 -4.041 1.00 54.30 C ATOM 38 CG GLU A 4 -5.433 -7.037 -5.408 1.00 30.24 C ATOM 39 CD GLU A 4 -3.968 -7.397 -5.562 1.00 72.24 C ATOM 40 OE1 GLU A 4 -3.397 -7.982 -4.618 1.00 74.03 O ATOM 41 OE2 GLU A 4 -3.393 -7.094 -6.629 1.00 1.14 O ATOM 0 H GLU A 4 -6.729 -5.859 -1.837 1.00 10.32 H new ATOM 0 HA GLU A 4 -7.462 -5.253 -4.539 1.00 61.03 H new ATOM 0 HB2 GLU A 4 -5.133 -5.570 -3.881 1.00 54.30 H new ATOM 0 HB3 GLU A 4 -5.475 -7.178 -3.274 1.00 54.30 H new ATOM 0 HG2 GLU A 4 -6.041 -7.927 -5.569 1.00 30.24 H new ATOM 0 HG3 GLU A 4 -5.710 -6.318 -6.179 1.00 30.24 H new ATOM 48 N LYS A 5 -8.467 -7.376 -5.487 1.00 32.23 N ATOM 49 CA LYS A 5 -9.314 -8.468 -5.952 1.00 71.01 C ATOM 50 C LYS A 5 -8.537 -9.405 -6.872 1.00 35.14 C ATOM 51 O LYS A 5 -8.395 -9.161 -8.070 1.00 1.32 O ATOM 52 CB LYS A 5 -10.538 -7.915 -6.686 1.00 44.51 C ATOM 53 CG LYS A 5 -11.709 -7.608 -5.770 1.00 14.33 C ATOM 54 CD LYS A 5 -11.378 -6.489 -4.796 1.00 61.20 C ATOM 55 CE LYS A 5 -12.636 -5.798 -4.292 1.00 24.44 C ATOM 56 NZ LYS A 5 -13.510 -6.729 -3.525 1.00 4.34 N ATOM 0 H LYS A 5 -8.182 -6.723 -6.217 1.00 32.23 H new ATOM 0 HA LYS A 5 -9.645 -9.034 -5.081 1.00 71.01 H new ATOM 0 HB2 LYS A 5 -10.254 -7.006 -7.215 1.00 44.51 H new ATOM 0 HB3 LYS A 5 -10.856 -8.636 -7.439 1.00 44.51 H new ATOM 0 HG2 LYS A 5 -12.576 -7.326 -6.368 1.00 14.33 H new ATOM 0 HG3 LYS A 5 -11.983 -8.505 -5.215 1.00 14.33 H new ATOM 0 HD2 LYS A 5 -10.821 -6.894 -3.951 1.00 61.20 H new ATOM 0 HD3 LYS A 5 -10.732 -5.760 -5.284 1.00 61.20 H new ATOM 0 HE2 LYS A 5 -12.359 -4.955 -3.659 1.00 24.44 H new ATOM 0 HE3 LYS A 5 -13.191 -5.392 -5.138 1.00 24.44 H new ATOM 0 HZ1 LYS A 5 -14.100 -6.185 -2.863 1.00 4.34 H new ATOM 0 HZ2 LYS A 5 -14.122 -7.253 -4.183 1.00 4.34 H new ATOM 0 HZ3 LYS A 5 -12.920 -7.400 -2.993 1.00 4.34 H new ATOM 70 N PRO A 6 -8.024 -10.505 -6.300 1.00 41.43 N ATOM 71 CA PRO A 6 -7.255 -11.501 -7.051 1.00 61.35 C ATOM 72 C PRO A 6 -8.124 -12.293 -8.022 1.00 53.15 C ATOM 73 O PRO A 6 -9.352 -12.210 -7.982 1.00 51.03 O ATOM 74 CB PRO A 6 -6.702 -12.419 -5.959 1.00 25.52 C ATOM 75 CG PRO A 6 -7.657 -12.278 -4.825 1.00 14.10 C ATOM 76 CD PRO A 6 -8.155 -10.860 -4.877 1.00 43.23 C ATOM 0 HA PRO A 6 -6.485 -11.039 -7.670 1.00 61.35 H new ATOM 0 HB2 PRO A 6 -6.645 -13.452 -6.302 1.00 25.52 H new ATOM 0 HB3 PRO A 6 -5.694 -12.124 -5.667 1.00 25.52 H new ATOM 0 HG2 PRO A 6 -8.481 -12.985 -4.919 1.00 14.10 H new ATOM 0 HG3 PRO A 6 -7.167 -12.485 -3.874 1.00 14.10 H new ATOM 0 HD2 PRO A 6 -9.188 -10.784 -4.537 1.00 43.23 H new ATOM 0 HD3 PRO A 6 -7.561 -10.202 -4.242 1.00 43.23 H new ATOM 84 N LYS A 7 -7.480 -13.061 -8.895 1.00 14.03 N ATOM 85 CA LYS A 7 -8.194 -13.870 -9.876 1.00 12.32 C ATOM 86 C LYS A 7 -8.138 -15.348 -9.506 1.00 72.51 C ATOM 87 O LYS A 7 -7.068 -15.889 -9.226 1.00 0.41 O ATOM 88 CB LYS A 7 -7.600 -13.659 -11.270 1.00 50.23 C ATOM 89 CG LYS A 7 -6.147 -14.085 -11.383 1.00 64.20 C ATOM 90 CD LYS A 7 -5.406 -13.269 -12.429 1.00 24.11 C ATOM 91 CE LYS A 7 -4.975 -11.918 -11.879 1.00 42.01 C ATOM 92 NZ LYS A 7 -3.767 -12.030 -11.015 1.00 62.15 N ATOM 0 H LYS A 7 -6.464 -13.140 -8.943 1.00 14.03 H new ATOM 0 HA LYS A 7 -9.237 -13.554 -9.881 1.00 12.32 H new ATOM 0 HB2 LYS A 7 -8.191 -14.217 -11.996 1.00 50.23 H new ATOM 0 HB3 LYS A 7 -7.682 -12.605 -11.535 1.00 50.23 H new ATOM 0 HG2 LYS A 7 -5.657 -13.970 -10.416 1.00 64.20 H new ATOM 0 HG3 LYS A 7 -6.096 -15.143 -11.642 1.00 64.20 H new ATOM 0 HD2 LYS A 7 -4.530 -13.821 -12.769 1.00 24.11 H new ATOM 0 HD3 LYS A 7 -6.047 -13.122 -13.298 1.00 24.11 H new ATOM 0 HE2 LYS A 7 -4.768 -11.239 -12.706 1.00 42.01 H new ATOM 0 HE3 LYS A 7 -5.793 -11.482 -11.305 1.00 42.01 H new ATOM 0 HZ1 LYS A 7 -3.789 -11.286 -10.289 1.00 62.15 H new ATOM 0 HZ2 LYS A 7 -3.755 -12.963 -10.555 1.00 62.15 H new ATOM 0 HZ3 LYS A 7 -2.912 -11.920 -11.597 1.00 62.15 H new ATOM 106 N VAL A 8 -9.298 -15.999 -9.509 1.00 4.22 N ATOM 107 CA VAL A 8 -9.380 -17.416 -9.176 1.00 61.03 C ATOM 108 C VAL A 8 -10.445 -18.116 -10.013 1.00 12.33 C ATOM 109 O VAL A 8 -11.470 -17.525 -10.354 1.00 42.34 O ATOM 110 CB VAL A 8 -9.696 -17.625 -7.683 1.00 41.23 C ATOM 111 CG1 VAL A 8 -9.572 -19.095 -7.312 1.00 11.44 C ATOM 112 CG2 VAL A 8 -8.780 -16.769 -6.821 1.00 35.33 C ATOM 0 H VAL A 8 -10.193 -15.567 -9.738 1.00 4.22 H new ATOM 0 HA VAL A 8 -8.405 -17.850 -9.397 1.00 61.03 H new ATOM 0 HB VAL A 8 -10.725 -17.315 -7.499 1.00 41.23 H new ATOM 0 HG11 VAL A 8 -9.799 -19.224 -6.254 1.00 11.44 H new ATOM 0 HG12 VAL A 8 -10.273 -19.681 -7.907 1.00 11.44 H new ATOM 0 HG13 VAL A 8 -8.556 -19.436 -7.509 1.00 11.44 H new ATOM 0 HG21 VAL A 8 -9.017 -16.929 -5.769 1.00 35.33 H new ATOM 0 HG22 VAL A 8 -7.742 -17.047 -7.006 1.00 35.33 H new ATOM 0 HG23 VAL A 8 -8.924 -15.718 -7.070 1.00 35.33 H new ATOM 122 N LYS A 9 -10.197 -19.379 -10.340 1.00 32.54 N ATOM 123 CA LYS A 9 -11.135 -20.163 -11.135 1.00 13.20 C ATOM 124 C LYS A 9 -12.505 -20.214 -10.466 1.00 72.12 C ATOM 125 O LYS A 9 -13.531 -20.335 -11.137 1.00 1.35 O ATOM 126 CB LYS A 9 -10.602 -21.583 -11.338 1.00 42.45 C ATOM 127 CG LYS A 9 -9.166 -21.628 -11.832 1.00 1.03 C ATOM 128 CD LYS A 9 -8.993 -20.838 -13.118 1.00 71.33 C ATOM 129 CE LYS A 9 -9.855 -21.402 -14.238 1.00 43.41 C ATOM 130 NZ LYS A 9 -9.575 -20.737 -15.541 1.00 13.20 N ATOM 0 H LYS A 9 -9.353 -19.883 -10.067 1.00 32.54 H new ATOM 0 HA LYS A 9 -11.242 -19.680 -12.106 1.00 13.20 H new ATOM 0 HB2 LYS A 9 -10.671 -22.126 -10.395 1.00 42.45 H new ATOM 0 HB3 LYS A 9 -11.240 -22.103 -12.053 1.00 42.45 H new ATOM 0 HG2 LYS A 9 -8.504 -21.226 -11.065 1.00 1.03 H new ATOM 0 HG3 LYS A 9 -8.870 -22.664 -11.998 1.00 1.03 H new ATOM 0 HD2 LYS A 9 -9.257 -19.795 -12.944 1.00 71.33 H new ATOM 0 HD3 LYS A 9 -7.946 -20.856 -13.419 1.00 71.33 H new ATOM 0 HE2 LYS A 9 -9.675 -22.473 -14.331 1.00 43.41 H new ATOM 0 HE3 LYS A 9 -10.908 -21.276 -13.985 1.00 43.41 H new ATOM 0 HZ1 LYS A 9 -10.182 -21.149 -16.278 1.00 13.20 H new ATOM 0 HZ2 LYS A 9 -9.771 -19.719 -15.460 1.00 13.20 H new ATOM 0 HZ3 LYS A 9 -8.577 -20.878 -15.795 1.00 13.20 H new ATOM 144 N LYS A 10 -12.515 -20.120 -9.141 1.00 34.52 N ATOM 145 CA LYS A 10 -13.759 -20.153 -8.380 1.00 71.35 C ATOM 146 C LYS A 10 -14.299 -18.744 -8.159 1.00 3.10 C ATOM 147 O LYS A 10 -15.487 -18.558 -7.894 1.00 2.12 O ATOM 148 CB LYS A 10 -13.539 -20.844 -7.033 1.00 21.22 C ATOM 149 CG LYS A 10 -13.622 -22.359 -7.105 1.00 74.11 C ATOM 150 CD LYS A 10 -12.285 -22.974 -7.483 1.00 53.25 C ATOM 151 CE LYS A 10 -11.453 -23.298 -6.253 1.00 24.04 C ATOM 152 NZ LYS A 10 -11.712 -24.678 -5.755 1.00 45.44 N ATOM 0 H LYS A 10 -11.675 -20.020 -8.571 1.00 34.52 H new ATOM 0 HA LYS A 10 -14.493 -20.718 -8.955 1.00 71.35 H new ATOM 0 HB2 LYS A 10 -12.561 -20.560 -6.644 1.00 21.22 H new ATOM 0 HB3 LYS A 10 -14.282 -20.481 -6.323 1.00 21.22 H new ATOM 0 HG2 LYS A 10 -13.945 -22.753 -6.141 1.00 74.11 H new ATOM 0 HG3 LYS A 10 -14.376 -22.648 -7.837 1.00 74.11 H new ATOM 0 HD2 LYS A 10 -12.452 -23.883 -8.060 1.00 53.25 H new ATOM 0 HD3 LYS A 10 -11.735 -22.285 -8.125 1.00 53.25 H new ATOM 0 HE2 LYS A 10 -10.395 -23.191 -6.492 1.00 24.04 H new ATOM 0 HE3 LYS A 10 -11.676 -22.580 -5.464 1.00 24.04 H new ATOM 0 HZ1 LYS A 10 -11.126 -24.860 -4.916 1.00 45.44 H new ATOM 0 HZ2 LYS A 10 -12.716 -24.773 -5.503 1.00 45.44 H new ATOM 0 HZ3 LYS A 10 -11.475 -25.366 -6.498 1.00 45.44 H new ATOM 166 N HIS A 11 -13.419 -17.754 -8.271 1.00 1.22 N ATOM 167 CA HIS A 11 -13.808 -16.360 -8.085 1.00 32.53 C ATOM 168 C HIS A 11 -14.883 -15.958 -9.090 1.00 13.14 C ATOM 169 O HIS A 11 -15.608 -14.985 -8.881 1.00 14.25 O ATOM 170 CB HIS A 11 -12.592 -15.446 -8.228 1.00 4.52 C ATOM 171 CG HIS A 11 -12.136 -14.848 -6.932 1.00 40.23 C ATOM 172 ND1 HIS A 11 -12.155 -15.536 -5.738 1.00 23.52 N ATOM 173 CD2 HIS A 11 -11.646 -13.619 -6.648 1.00 45.55 C ATOM 174 CE1 HIS A 11 -11.697 -14.756 -4.775 1.00 72.20 C ATOM 175 NE2 HIS A 11 -11.381 -13.587 -5.301 1.00 42.24 N ATOM 0 H HIS A 11 -12.432 -17.891 -8.490 1.00 1.22 H new ATOM 0 HA HIS A 11 -14.217 -16.253 -7.080 1.00 32.53 H new ATOM 0 HB2 HIS A 11 -11.771 -16.014 -8.666 1.00 4.52 H new ATOM 0 HB3 HIS A 11 -12.831 -14.643 -8.925 1.00 4.52 H new ATOM 0 HD2 HIS A 11 -11.492 -12.813 -7.350 1.00 45.55 H new ATOM 0 HE1 HIS A 11 -11.598 -15.028 -3.735 1.00 72.20 H new ATOM 0 HE2 HIS A 11 -11.002 -12.790 -4.790 1.00 42.24 H new ATOM 184 N ILE A 12 -14.979 -16.712 -10.180 1.00 15.35 N ATOM 185 CA ILE A 12 -15.966 -16.433 -11.216 1.00 20.02 C ATOM 186 C ILE A 12 -17.366 -16.309 -10.623 1.00 44.13 C ATOM 187 O ILE A 12 -18.217 -15.596 -11.156 1.00 1.13 O ATOM 188 CB ILE A 12 -15.973 -17.531 -12.296 1.00 14.12 C ATOM 189 CG1 ILE A 12 -16.962 -17.176 -13.408 1.00 42.45 C ATOM 190 CG2 ILE A 12 -16.323 -18.877 -11.680 1.00 24.52 C ATOM 191 CD1 ILE A 12 -18.333 -17.785 -13.216 1.00 62.02 C ATOM 0 H ILE A 12 -14.386 -17.520 -10.369 1.00 15.35 H new ATOM 0 HA ILE A 12 -15.684 -15.485 -11.674 1.00 20.02 H new ATOM 0 HB ILE A 12 -14.975 -17.600 -12.730 1.00 14.12 H new ATOM 0 HG12 ILE A 12 -17.060 -16.092 -13.463 1.00 42.45 H new ATOM 0 HG13 ILE A 12 -16.556 -17.509 -14.363 1.00 42.45 H new ATOM 0 HG21 ILE A 12 -16.324 -19.643 -12.456 1.00 24.52 H new ATOM 0 HG22 ILE A 12 -15.585 -19.132 -10.919 1.00 24.52 H new ATOM 0 HG23 ILE A 12 -17.311 -18.822 -11.223 1.00 24.52 H new ATOM 0 HD11 ILE A 12 -18.981 -17.491 -14.042 1.00 62.02 H new ATOM 0 HD12 ILE A 12 -18.248 -18.871 -13.191 1.00 62.02 H new ATOM 0 HD13 ILE A 12 -18.759 -17.432 -12.277 1.00 62.02 H new ATOM 203 N THR A 13 -17.598 -17.007 -9.516 1.00 5.23 N ATOM 204 CA THR A 13 -18.893 -16.975 -8.849 1.00 53.25 C ATOM 205 C THR A 13 -19.226 -15.570 -8.361 1.00 3.34 C ATOM 206 O THR A 13 -20.260 -15.006 -8.718 1.00 32.42 O ATOM 207 CB THR A 13 -18.934 -17.945 -7.654 1.00 34.11 C ATOM 208 OG1 THR A 13 -17.927 -17.590 -6.700 1.00 33.11 O ATOM 209 CG2 THR A 13 -18.722 -19.380 -8.114 1.00 4.54 C ATOM 0 H THR A 13 -16.905 -17.602 -9.062 1.00 5.23 H new ATOM 0 HA THR A 13 -19.635 -17.286 -9.585 1.00 53.25 H new ATOM 0 HB THR A 13 -19.917 -17.871 -7.188 1.00 34.11 H new ATOM 0 HG1 THR A 13 -17.051 -17.885 -7.024 1.00 33.11 H new ATOM 0 HG21 THR A 13 -18.755 -20.047 -7.252 1.00 4.54 H new ATOM 0 HG22 THR A 13 -19.508 -19.656 -8.817 1.00 4.54 H new ATOM 0 HG23 THR A 13 -17.751 -19.466 -8.602 1.00 4.54 H new ATOM 217 N SER A 14 -18.342 -15.008 -7.542 1.00 65.31 N ATOM 218 CA SER A 14 -18.543 -13.669 -7.002 1.00 31.14 C ATOM 219 C SER A 14 -18.375 -12.613 -8.090 1.00 22.12 C ATOM 220 O SER A 14 -19.089 -11.611 -8.113 1.00 43.02 O ATOM 221 CB SER A 14 -17.559 -13.403 -5.861 1.00 31.24 C ATOM 222 OG SER A 14 -17.657 -14.402 -4.860 1.00 12.54 O ATOM 0 H SER A 14 -17.480 -15.460 -7.238 1.00 65.31 H new ATOM 0 HA SER A 14 -19.561 -13.609 -6.616 1.00 31.14 H new ATOM 0 HB2 SER A 14 -16.542 -13.375 -6.253 1.00 31.24 H new ATOM 0 HB3 SER A 14 -17.760 -12.425 -5.424 1.00 31.24 H new ATOM 0 HG SER A 14 -17.017 -14.210 -4.143 1.00 12.54 H new ATOM 228 N ALA A 15 -17.425 -12.846 -8.990 1.00 31.12 N ATOM 229 CA ALA A 15 -17.163 -11.917 -10.082 1.00 73.11 C ATOM 230 C ALA A 15 -18.413 -11.697 -10.927 1.00 74.33 C ATOM 231 O ALA A 15 -18.804 -10.560 -11.192 1.00 13.51 O ATOM 232 CB ALA A 15 -16.022 -12.429 -10.948 1.00 3.10 C ATOM 0 H ALA A 15 -16.824 -13.670 -8.984 1.00 31.12 H new ATOM 0 HA ALA A 15 -16.875 -10.959 -9.650 1.00 73.11 H new ATOM 0 HB1 ALA A 15 -15.837 -11.725 -11.760 1.00 3.10 H new ATOM 0 HB2 ALA A 15 -15.122 -12.529 -10.342 1.00 3.10 H new ATOM 0 HB3 ALA A 15 -16.289 -13.401 -11.364 1.00 3.10 H new ATOM 238 N LEU A 16 -19.036 -12.792 -11.349 1.00 55.02 N ATOM 239 CA LEU A 16 -20.243 -12.719 -12.166 1.00 11.21 C ATOM 240 C LEU A 16 -21.285 -11.812 -11.518 1.00 61.32 C ATOM 241 O LEU A 16 -21.908 -10.987 -12.187 1.00 31.50 O ATOM 242 CB LEU A 16 -20.827 -14.117 -12.375 1.00 64.30 C ATOM 243 CG LEU A 16 -20.763 -14.665 -13.801 1.00 51.33 C ATOM 244 CD1 LEU A 16 -19.326 -14.696 -14.298 1.00 1.14 C ATOM 245 CD2 LEU A 16 -21.383 -16.053 -13.868 1.00 25.12 C ATOM 0 H LEU A 16 -18.726 -13.741 -11.139 1.00 55.02 H new ATOM 0 HA LEU A 16 -19.972 -12.297 -13.134 1.00 11.21 H new ATOM 0 HB2 LEU A 16 -20.303 -14.810 -11.717 1.00 64.30 H new ATOM 0 HB3 LEU A 16 -21.870 -14.104 -12.059 1.00 64.30 H new ATOM 0 HG LEU A 16 -21.335 -14.002 -14.450 1.00 51.33 H new ATOM 0 HD11 LEU A 16 -19.301 -15.089 -15.314 1.00 1.14 H new ATOM 0 HD12 LEU A 16 -18.916 -13.686 -14.289 1.00 1.14 H new ATOM 0 HD13 LEU A 16 -18.730 -15.335 -13.647 1.00 1.14 H new ATOM 0 HD21 LEU A 16 -21.328 -16.427 -14.890 1.00 25.12 H new ATOM 0 HD22 LEU A 16 -20.839 -16.727 -13.206 1.00 25.12 H new ATOM 0 HD23 LEU A 16 -22.426 -16.001 -13.556 1.00 25.12 H new ATOM 257 N LYS A 17 -21.468 -11.969 -10.212 1.00 23.24 N ATOM 258 CA LYS A 17 -22.431 -11.163 -9.471 1.00 70.21 C ATOM 259 C LYS A 17 -22.167 -9.675 -9.676 1.00 3.11 C ATOM 260 O LYS A 17 -23.096 -8.868 -9.712 1.00 42.11 O ATOM 261 CB LYS A 17 -22.371 -11.502 -7.980 1.00 33.11 C ATOM 262 CG LYS A 17 -23.336 -12.600 -7.567 1.00 14.24 C ATOM 263 CD LYS A 17 -24.678 -12.030 -7.138 1.00 32.23 C ATOM 264 CE LYS A 17 -25.357 -12.918 -6.106 1.00 63.42 C ATOM 265 NZ LYS A 17 -26.639 -12.332 -5.627 1.00 22.03 N ATOM 0 H LYS A 17 -20.961 -12.648 -9.644 1.00 23.24 H new ATOM 0 HA LYS A 17 -23.427 -11.393 -9.850 1.00 70.21 H new ATOM 0 HB2 LYS A 17 -21.356 -11.807 -7.726 1.00 33.11 H new ATOM 0 HB3 LYS A 17 -22.588 -10.603 -7.403 1.00 33.11 H new ATOM 0 HG2 LYS A 17 -23.482 -13.290 -8.398 1.00 14.24 H new ATOM 0 HG3 LYS A 17 -22.905 -13.175 -6.747 1.00 14.24 H new ATOM 0 HD2 LYS A 17 -24.535 -11.032 -6.723 1.00 32.23 H new ATOM 0 HD3 LYS A 17 -25.324 -11.923 -8.009 1.00 32.23 H new ATOM 0 HE2 LYS A 17 -25.546 -13.900 -6.540 1.00 63.42 H new ATOM 0 HE3 LYS A 17 -24.687 -13.068 -5.259 1.00 63.42 H new ATOM 0 HZ1 LYS A 17 -27.070 -12.967 -4.925 1.00 22.03 H new ATOM 0 HZ2 LYS A 17 -26.456 -11.406 -5.190 1.00 22.03 H new ATOM 0 HZ3 LYS A 17 -27.288 -12.213 -6.431 1.00 22.03 H new ATOM 279 N LYS A 18 -20.894 -9.318 -9.811 1.00 11.23 N ATOM 280 CA LYS A 18 -20.507 -7.927 -10.015 1.00 3.00 C ATOM 281 C LYS A 18 -20.732 -7.506 -11.464 1.00 35.43 C ATOM 282 O LYS A 18 -21.100 -6.363 -11.739 1.00 65.30 O ATOM 283 CB LYS A 18 -19.038 -7.724 -9.637 1.00 64.50 C ATOM 284 CG LYS A 18 -18.725 -8.085 -8.195 1.00 73.20 C ATOM 285 CD LYS A 18 -18.117 -6.912 -7.446 1.00 2.31 C ATOM 286 CE LYS A 18 -18.487 -6.939 -5.971 1.00 32.51 C ATOM 287 NZ LYS A 18 -19.944 -6.714 -5.761 1.00 32.34 N ATOM 0 H LYS A 18 -20.113 -9.973 -9.783 1.00 11.23 H new ATOM 0 HA LYS A 18 -21.131 -7.305 -9.373 1.00 3.00 H new ATOM 0 HB2 LYS A 18 -18.415 -8.327 -10.297 1.00 64.50 H new ATOM 0 HB3 LYS A 18 -18.768 -6.682 -9.809 1.00 64.50 H new ATOM 0 HG2 LYS A 18 -19.638 -8.405 -7.693 1.00 73.20 H new ATOM 0 HG3 LYS A 18 -18.036 -8.929 -8.172 1.00 73.20 H new ATOM 0 HD2 LYS A 18 -17.032 -6.935 -7.550 1.00 2.31 H new ATOM 0 HD3 LYS A 18 -18.460 -5.978 -7.891 1.00 2.31 H new ATOM 0 HE2 LYS A 18 -18.202 -7.900 -5.543 1.00 32.51 H new ATOM 0 HE3 LYS A 18 -17.921 -6.173 -5.440 1.00 32.51 H new ATOM 0 HZ1 LYS A 18 -20.102 -6.324 -4.810 1.00 32.34 H new ATOM 0 HZ2 LYS A 18 -20.298 -6.044 -6.473 1.00 32.34 H new ATOM 0 HZ3 LYS A 18 -20.452 -7.617 -5.853 1.00 32.34 H new ATOM 301 N LEU A 19 -20.512 -8.437 -12.386 1.00 54.31 N ATOM 302 CA LEU A 19 -20.694 -8.163 -13.807 1.00 45.24 C ATOM 303 C LEU A 19 -22.134 -7.759 -14.105 1.00 71.40 C ATOM 304 O LEU A 19 -22.386 -6.716 -14.707 1.00 41.35 O ATOM 305 CB LEU A 19 -20.314 -9.391 -14.636 1.00 75.51 C ATOM 306 CG LEU A 19 -18.916 -9.379 -15.254 1.00 50.33 C ATOM 307 CD1 LEU A 19 -18.518 -10.776 -15.704 1.00 55.02 C ATOM 308 CD2 LEU A 19 -18.858 -8.404 -16.421 1.00 42.05 C ATOM 0 H LEU A 19 -20.208 -9.387 -12.175 1.00 54.31 H new ATOM 0 HA LEU A 19 -20.041 -7.333 -14.078 1.00 45.24 H new ATOM 0 HB2 LEU A 19 -20.401 -10.273 -14.002 1.00 75.51 H new ATOM 0 HB3 LEU A 19 -21.043 -9.502 -15.439 1.00 75.51 H new ATOM 0 HG LEU A 19 -18.207 -9.049 -14.495 1.00 50.33 H new ATOM 0 HD11 LEU A 19 -17.520 -10.747 -16.141 1.00 55.02 H new ATOM 0 HD12 LEU A 19 -18.519 -11.449 -14.846 1.00 55.02 H new ATOM 0 HD13 LEU A 19 -19.229 -11.135 -16.448 1.00 55.02 H new ATOM 0 HD21 LEU A 19 -17.856 -8.408 -16.849 1.00 42.05 H new ATOM 0 HD22 LEU A 19 -19.579 -8.704 -17.182 1.00 42.05 H new ATOM 0 HD23 LEU A 19 -19.098 -7.401 -16.069 1.00 42.05 H new ATOM 320 N VAL A 20 -23.077 -8.593 -13.677 1.00 12.43 N ATOM 321 CA VAL A 20 -24.493 -8.321 -13.894 1.00 72.30 C ATOM 322 C VAL A 20 -24.892 -6.975 -13.300 1.00 35.55 C ATOM 323 O VAL A 20 -25.828 -6.330 -13.772 1.00 13.22 O ATOM 324 CB VAL A 20 -25.376 -9.424 -13.280 1.00 55.32 C ATOM 325 CG1 VAL A 20 -25.226 -9.448 -11.767 1.00 24.22 C ATOM 326 CG2 VAL A 20 -26.831 -9.222 -13.676 1.00 74.10 C ATOM 0 H VAL A 20 -22.886 -9.462 -13.178 1.00 12.43 H new ATOM 0 HA VAL A 20 -24.650 -8.299 -14.972 1.00 72.30 H new ATOM 0 HB VAL A 20 -25.047 -10.388 -13.669 1.00 55.32 H new ATOM 0 HG11 VAL A 20 -25.857 -10.233 -11.351 1.00 24.22 H new ATOM 0 HG12 VAL A 20 -24.185 -9.643 -11.508 1.00 24.22 H new ATOM 0 HG13 VAL A 20 -25.528 -8.485 -11.356 1.00 24.22 H new ATOM 0 HG21 VAL A 20 -27.441 -10.010 -13.234 1.00 74.10 H new ATOM 0 HG22 VAL A 20 -27.175 -8.252 -13.317 1.00 74.10 H new ATOM 0 HG23 VAL A 20 -26.921 -9.259 -14.762 1.00 74.10 H new ATOM 336 N ASP A 21 -24.177 -6.558 -12.261 1.00 43.03 N ATOM 337 CA ASP A 21 -24.455 -5.287 -11.602 1.00 60.22 C ATOM 338 C ASP A 21 -23.875 -4.123 -12.400 1.00 35.13 C ATOM 339 O ASP A 21 -24.478 -3.053 -12.484 1.00 10.44 O ATOM 340 CB ASP A 21 -23.880 -5.287 -10.185 1.00 12.12 C ATOM 341 CG ASP A 21 -24.645 -4.370 -9.250 1.00 43.03 C ATOM 342 OD1 ASP A 21 -25.855 -4.166 -9.479 1.00 11.11 O ATOM 343 OD2 ASP A 21 -24.032 -3.856 -8.291 1.00 13.33 O ATOM 0 H ASP A 21 -23.400 -7.082 -11.857 1.00 43.03 H new ATOM 0 HA ASP A 21 -25.537 -5.163 -11.547 1.00 60.22 H new ATOM 0 HB2 ASP A 21 -23.898 -6.302 -9.789 1.00 12.12 H new ATOM 0 HB3 ASP A 21 -22.836 -4.977 -10.220 1.00 12.12 H new ATOM 348 N LYS A 22 -22.702 -4.339 -12.983 1.00 45.25 N ATOM 349 CA LYS A 22 -22.039 -3.309 -13.775 1.00 12.32 C ATOM 350 C LYS A 22 -22.598 -3.269 -15.193 1.00 54.33 C ATOM 351 O LYS A 22 -22.159 -2.471 -16.022 1.00 0.01 O ATOM 352 CB LYS A 22 -20.530 -3.560 -13.817 1.00 33.40 C ATOM 353 CG LYS A 22 -19.859 -3.459 -12.458 1.00 64.44 C ATOM 354 CD LYS A 22 -20.114 -2.110 -11.809 1.00 14.22 C ATOM 355 CE LYS A 22 -19.036 -1.767 -10.793 1.00 4.21 C ATOM 356 NZ LYS A 22 -18.143 -0.678 -11.278 1.00 61.00 N ATOM 0 H LYS A 22 -22.190 -5.219 -12.922 1.00 45.25 H new ATOM 0 HA LYS A 22 -22.227 -2.345 -13.302 1.00 12.32 H new ATOM 0 HB2 LYS A 22 -20.346 -4.552 -14.231 1.00 33.40 H new ATOM 0 HB3 LYS A 22 -20.069 -2.841 -14.495 1.00 33.40 H new ATOM 0 HG2 LYS A 22 -20.230 -4.252 -11.808 1.00 64.44 H new ATOM 0 HG3 LYS A 22 -18.786 -3.613 -12.569 1.00 64.44 H new ATOM 0 HD2 LYS A 22 -20.151 -1.337 -12.577 1.00 14.22 H new ATOM 0 HD3 LYS A 22 -21.088 -2.119 -11.319 1.00 14.22 H new ATOM 0 HE2 LYS A 22 -19.503 -1.463 -9.856 1.00 4.21 H new ATOM 0 HE3 LYS A 22 -18.442 -2.656 -10.580 1.00 4.21 H new ATOM 0 HZ1 LYS A 22 -17.422 -0.474 -10.557 1.00 61.00 H new ATOM 0 HZ2 LYS A 22 -17.677 -0.977 -12.158 1.00 61.00 H new ATOM 0 HZ3 LYS A 22 -18.705 0.178 -11.458 1.00 61.00 H new ATOM 370 N TYR A 23 -23.570 -4.132 -15.466 1.00 31.43 N ATOM 371 CA TYR A 23 -24.189 -4.196 -16.785 1.00 23.15 C ATOM 372 C TYR A 23 -24.693 -2.823 -17.217 1.00 0.54 C ATOM 373 O TYR A 23 -24.507 -2.413 -18.362 1.00 44.35 O ATOM 374 CB TYR A 23 -25.344 -5.198 -16.781 1.00 73.11 C ATOM 375 CG TYR A 23 -25.832 -5.564 -18.165 1.00 34.35 C ATOM 376 CD1 TYR A 23 -26.567 -4.663 -18.925 1.00 1.01 C ATOM 377 CD2 TYR A 23 -25.558 -6.812 -18.712 1.00 1.24 C ATOM 378 CE1 TYR A 23 -27.015 -4.994 -20.189 1.00 14.21 C ATOM 379 CE2 TYR A 23 -26.001 -7.151 -19.975 1.00 50.35 C ATOM 380 CZ TYR A 23 -26.730 -6.239 -20.710 1.00 2.41 C ATOM 381 OH TYR A 23 -27.173 -6.571 -21.969 1.00 75.42 O ATOM 0 H TYR A 23 -23.947 -4.798 -14.791 1.00 31.43 H new ATOM 0 HA TYR A 23 -23.433 -4.526 -17.498 1.00 23.15 H new ATOM 0 HB2 TYR A 23 -25.026 -6.104 -16.265 1.00 73.11 H new ATOM 0 HB3 TYR A 23 -26.174 -4.781 -16.211 1.00 73.11 H new ATOM 0 HD1 TYR A 23 -26.792 -3.687 -18.521 1.00 1.01 H new ATOM 0 HD2 TYR A 23 -24.989 -7.529 -18.139 1.00 1.24 H new ATOM 0 HE1 TYR A 23 -27.586 -4.282 -20.766 1.00 14.21 H new ATOM 0 HE2 TYR A 23 -25.778 -8.125 -20.385 1.00 50.35 H new ATOM 0 HH TYR A 23 -27.836 -5.913 -22.267 1.00 75.42 H new ATOM 391 N ARG A 24 -25.332 -2.116 -16.290 1.00 52.12 N ATOM 392 CA ARG A 24 -25.864 -0.789 -16.574 1.00 14.42 C ATOM 393 C ARG A 24 -24.837 0.291 -16.244 1.00 75.22 C ATOM 394 O ARG A 24 -25.165 1.475 -16.184 1.00 42.11 O ATOM 395 CB ARG A 24 -27.147 -0.549 -15.775 1.00 3.50 C ATOM 396 CG ARG A 24 -28.305 -1.436 -16.201 1.00 23.33 C ATOM 397 CD ARG A 24 -29.181 -1.815 -15.017 1.00 52.50 C ATOM 398 NE ARG A 24 -30.571 -2.030 -15.412 1.00 24.34 N ATOM 399 CZ ARG A 24 -31.512 -2.465 -14.581 1.00 4.43 C ATOM 400 NH1 ARG A 24 -31.214 -2.728 -13.316 1.00 3.32 N ATOM 401 NH2 ARG A 24 -32.754 -2.636 -15.015 1.00 22.25 N ATOM 0 H ARG A 24 -25.494 -2.440 -15.336 1.00 52.12 H new ATOM 0 HA ARG A 24 -26.092 -0.736 -17.639 1.00 14.42 H new ATOM 0 HB2 ARG A 24 -26.943 -0.716 -14.717 1.00 3.50 H new ATOM 0 HB3 ARG A 24 -27.442 0.495 -15.882 1.00 3.50 H new ATOM 0 HG2 ARG A 24 -28.906 -0.918 -16.948 1.00 23.33 H new ATOM 0 HG3 ARG A 24 -27.918 -2.339 -16.673 1.00 23.33 H new ATOM 0 HD2 ARG A 24 -28.792 -2.721 -14.553 1.00 52.50 H new ATOM 0 HD3 ARG A 24 -29.135 -1.027 -14.265 1.00 52.50 H new ATOM 0 HE ARG A 24 -30.833 -1.836 -16.378 1.00 24.34 H new ATOM 0 HH11 ARG A 24 -30.260 -2.596 -12.979 1.00 3.32 H new ATOM 0 HH12 ARG A 24 -31.938 -3.062 -12.680 1.00 3.32 H new ATOM 0 HH21 ARG A 24 -32.987 -2.434 -15.987 1.00 22.25 H new ATOM 0 HH22 ARG A 24 -33.476 -2.970 -14.376 1.00 22.25 H new ATOM 415 N ASN A 25 -23.594 -0.128 -16.031 1.00 12.11 N ATOM 416 CA ASN A 25 -22.519 0.803 -15.706 1.00 74.11 C ATOM 417 C ASN A 25 -21.545 0.936 -16.872 1.00 45.40 C ATOM 418 O ASN A 25 -21.083 2.034 -17.186 1.00 61.41 O ATOM 419 CB ASN A 25 -21.774 0.337 -14.454 1.00 63.51 C ATOM 420 CG ASN A 25 -22.582 0.546 -13.188 1.00 41.21 C ATOM 421 OD1 ASN A 25 -22.334 1.482 -12.428 1.00 1.21 O ATOM 422 ND2 ASN A 25 -23.555 -0.327 -12.956 1.00 61.31 N ATOM 0 H ASN A 25 -23.306 -1.105 -16.077 1.00 12.11 H new ATOM 0 HA ASN A 25 -22.963 1.780 -15.513 1.00 74.11 H new ATOM 0 HB2 ASN A 25 -21.527 -0.720 -14.554 1.00 63.51 H new ATOM 0 HB3 ASN A 25 -20.831 0.878 -14.373 1.00 63.51 H new ATOM 0 HD21 ASN A 25 -24.132 -0.237 -12.120 1.00 61.31 H new ATOM 0 HD22 ASN A 25 -23.725 -1.088 -13.614 1.00 61.31 H new ATOM 429 N ASP A 26 -21.236 -0.187 -17.510 1.00 34.41 N ATOM 430 CA ASP A 26 -20.318 -0.197 -18.642 1.00 41.45 C ATOM 431 C ASP A 26 -20.925 -0.939 -19.829 1.00 13.32 C ATOM 432 O ASP A 26 -21.425 -2.054 -19.685 1.00 14.32 O ATOM 433 CB ASP A 26 -18.991 -0.845 -18.245 1.00 3.40 C ATOM 434 CG ASP A 26 -18.025 0.147 -17.626 1.00 31.44 C ATOM 435 OD1 ASP A 26 -17.752 1.186 -18.262 1.00 0.22 O ATOM 436 OD2 ASP A 26 -17.543 -0.117 -16.504 1.00 51.23 O ATOM 0 H ASP A 26 -21.609 -1.104 -17.262 1.00 34.41 H new ATOM 0 HA ASP A 26 -20.135 0.836 -18.937 1.00 41.45 H new ATOM 0 HB2 ASP A 26 -19.181 -1.652 -17.538 1.00 3.40 H new ATOM 0 HB3 ASP A 26 -18.532 -1.294 -19.125 1.00 3.40 H new ATOM 441 N GLU A 27 -20.879 -0.311 -21.000 1.00 25.31 N ATOM 442 CA GLU A 27 -21.426 -0.912 -22.210 1.00 74.42 C ATOM 443 C GLU A 27 -20.653 -2.172 -22.590 1.00 51.12 C ATOM 444 O GLU A 27 -21.242 -3.186 -22.965 1.00 32.32 O ATOM 445 CB GLU A 27 -21.390 0.090 -23.366 1.00 24.03 C ATOM 446 CG GLU A 27 -20.003 0.644 -23.647 1.00 61.44 C ATOM 447 CD GLU A 27 -20.042 2.022 -24.278 1.00 11.10 C ATOM 448 OE1 GLU A 27 -20.450 2.979 -23.588 1.00 53.41 O ATOM 449 OE2 GLU A 27 -19.664 2.143 -25.462 1.00 61.12 O ATOM 0 H GLU A 27 -20.469 0.613 -21.136 1.00 25.31 H new ATOM 0 HA GLU A 27 -22.461 -1.188 -22.011 1.00 74.42 H new ATOM 0 HB2 GLU A 27 -21.769 -0.393 -24.267 1.00 24.03 H new ATOM 0 HB3 GLU A 27 -22.064 0.917 -23.141 1.00 24.03 H new ATOM 0 HG2 GLU A 27 -19.439 0.691 -22.715 1.00 61.44 H new ATOM 0 HG3 GLU A 27 -19.470 -0.039 -24.308 1.00 61.44 H new ATOM 456 N HIS A 28 -19.329 -2.099 -22.491 1.00 55.14 N ATOM 457 CA HIS A 28 -18.474 -3.233 -22.825 1.00 14.35 C ATOM 458 C HIS A 28 -18.909 -4.483 -22.065 1.00 52.43 C ATOM 459 O HIS A 28 -18.778 -5.601 -22.563 1.00 41.12 O ATOM 460 CB HIS A 28 -17.015 -2.909 -22.504 1.00 62.21 C ATOM 461 CG HIS A 28 -16.326 -2.124 -23.577 1.00 63.14 C ATOM 462 ND1 HIS A 28 -14.956 -1.977 -23.641 1.00 12.13 N ATOM 463 CD2 HIS A 28 -16.825 -1.442 -24.635 1.00 31.52 C ATOM 464 CE1 HIS A 28 -14.643 -1.237 -24.689 1.00 70.25 C ATOM 465 NE2 HIS A 28 -15.759 -0.900 -25.310 1.00 33.30 N ATOM 0 H HIS A 28 -18.825 -1.267 -22.183 1.00 55.14 H new ATOM 0 HA HIS A 28 -18.569 -3.427 -23.893 1.00 14.35 H new ATOM 0 HB2 HIS A 28 -16.973 -2.348 -21.571 1.00 62.21 H new ATOM 0 HB3 HIS A 28 -16.472 -3.840 -22.341 1.00 62.21 H new ATOM 0 HD2 HIS A 28 -17.868 -1.343 -24.899 1.00 31.52 H new ATOM 0 HE1 HIS A 28 -13.644 -0.955 -24.988 1.00 70.25 H new ATOM 0 HE2 HIS A 28 -15.819 -0.330 -26.154 1.00 33.30 H new ATOM 474 N VAL A 29 -19.427 -4.285 -20.857 1.00 22.20 N ATOM 475 CA VAL A 29 -19.881 -5.396 -20.029 1.00 72.12 C ATOM 476 C VAL A 29 -21.168 -6.001 -20.580 1.00 23.35 C ATOM 477 O VAL A 29 -21.390 -7.208 -20.481 1.00 21.13 O ATOM 478 CB VAL A 29 -20.118 -4.951 -18.574 1.00 23.34 C ATOM 479 CG1 VAL A 29 -20.649 -6.108 -17.741 1.00 72.22 C ATOM 480 CG2 VAL A 29 -18.836 -4.395 -17.972 1.00 21.41 C ATOM 0 H VAL A 29 -19.543 -3.366 -20.430 1.00 22.20 H new ATOM 0 HA VAL A 29 -19.092 -6.148 -20.047 1.00 72.12 H new ATOM 0 HB VAL A 29 -20.867 -4.159 -18.572 1.00 23.34 H new ATOM 0 HG11 VAL A 29 -20.810 -5.774 -16.716 1.00 72.22 H new ATOM 0 HG12 VAL A 29 -21.592 -6.457 -18.162 1.00 72.22 H new ATOM 0 HG13 VAL A 29 -19.925 -6.923 -17.748 1.00 72.22 H new ATOM 0 HG21 VAL A 29 -19.021 -4.085 -16.944 1.00 21.41 H new ATOM 0 HG22 VAL A 29 -18.064 -5.164 -17.986 1.00 21.41 H new ATOM 0 HG23 VAL A 29 -18.503 -3.536 -18.555 1.00 21.41 H new ATOM 490 N ARG A 30 -22.012 -5.155 -21.160 1.00 12.00 N ATOM 491 CA ARG A 30 -23.278 -5.606 -21.726 1.00 23.20 C ATOM 492 C ARG A 30 -23.042 -6.573 -22.883 1.00 20.14 C ATOM 493 O ARG A 30 -23.563 -7.689 -22.890 1.00 51.51 O ATOM 494 CB ARG A 30 -24.101 -4.410 -22.207 1.00 11.01 C ATOM 495 CG ARG A 30 -24.269 -3.325 -21.156 1.00 54.43 C ATOM 496 CD ARG A 30 -25.413 -2.385 -21.505 1.00 2.53 C ATOM 497 NE ARG A 30 -25.063 -1.477 -22.594 1.00 62.22 N ATOM 498 CZ ARG A 30 -25.855 -0.499 -23.019 1.00 62.12 C ATOM 499 NH1 ARG A 30 -27.036 -0.303 -22.449 1.00 44.31 N ATOM 500 NH2 ARG A 30 -25.466 0.285 -24.016 1.00 41.23 N ATOM 0 H ARG A 30 -21.843 -4.153 -21.251 1.00 12.00 H new ATOM 0 HA ARG A 30 -23.831 -6.128 -20.945 1.00 23.20 H new ATOM 0 HB2 ARG A 30 -23.622 -3.981 -23.087 1.00 11.01 H new ATOM 0 HB3 ARG A 30 -25.086 -4.759 -22.518 1.00 11.01 H new ATOM 0 HG2 ARG A 30 -24.456 -3.783 -20.185 1.00 54.43 H new ATOM 0 HG3 ARG A 30 -23.343 -2.756 -21.067 1.00 54.43 H new ATOM 0 HD2 ARG A 30 -26.289 -2.969 -21.788 1.00 2.53 H new ATOM 0 HD3 ARG A 30 -25.687 -1.805 -20.624 1.00 2.53 H new ATOM 0 HE ARG A 30 -24.161 -1.601 -23.053 1.00 62.22 H new ATOM 0 HH11 ARG A 30 -27.338 -0.904 -21.682 1.00 44.31 H new ATOM 0 HH12 ARG A 30 -27.642 0.449 -22.777 1.00 44.31 H new ATOM 0 HH21 ARG A 30 -24.558 0.137 -24.457 1.00 41.23 H new ATOM 0 HH22 ARG A 30 -26.075 1.036 -24.342 1.00 41.23 H new ATOM 514 N LYS A 31 -22.254 -6.138 -23.860 1.00 3.34 N ATOM 515 CA LYS A 31 -21.947 -6.963 -25.022 1.00 33.34 C ATOM 516 C LYS A 31 -21.230 -8.243 -24.606 1.00 25.34 C ATOM 517 O LYS A 31 -21.422 -9.299 -25.209 1.00 44.13 O ATOM 518 CB LYS A 31 -21.084 -6.182 -26.015 1.00 13.10 C ATOM 519 CG LYS A 31 -19.635 -6.043 -25.583 1.00 42.33 C ATOM 520 CD LYS A 31 -18.809 -5.313 -26.629 1.00 51.42 C ATOM 521 CE LYS A 31 -18.256 -6.272 -27.672 1.00 55.23 C ATOM 522 NZ LYS A 31 -17.463 -5.562 -28.714 1.00 12.04 N ATOM 0 H LYS A 31 -21.816 -5.217 -23.870 1.00 3.34 H new ATOM 0 HA LYS A 31 -22.887 -7.234 -25.502 1.00 33.34 H new ATOM 0 HB2 LYS A 31 -21.119 -6.680 -26.984 1.00 13.10 H new ATOM 0 HB3 LYS A 31 -21.511 -5.188 -26.151 1.00 13.10 H new ATOM 0 HG2 LYS A 31 -19.586 -5.503 -24.638 1.00 42.33 H new ATOM 0 HG3 LYS A 31 -19.210 -7.031 -25.407 1.00 42.33 H new ATOM 0 HD2 LYS A 31 -19.424 -4.558 -27.118 1.00 51.42 H new ATOM 0 HD3 LYS A 31 -17.986 -4.788 -26.143 1.00 51.42 H new ATOM 0 HE2 LYS A 31 -17.629 -7.017 -27.183 1.00 55.23 H new ATOM 0 HE3 LYS A 31 -19.079 -6.808 -28.145 1.00 55.23 H new ATOM 0 HZ1 LYS A 31 -17.104 -6.250 -29.406 1.00 12.04 H new ATOM 0 HZ2 LYS A 31 -18.068 -4.868 -29.198 1.00 12.04 H new ATOM 0 HZ3 LYS A 31 -16.663 -5.071 -28.267 1.00 12.04 H new ATOM 536 N VAL A 32 -20.403 -8.143 -23.570 1.00 3.14 N ATOM 537 CA VAL A 32 -19.658 -9.293 -23.071 1.00 73.33 C ATOM 538 C VAL A 32 -20.581 -10.283 -22.369 1.00 13.20 C ATOM 539 O VAL A 32 -20.528 -11.486 -22.623 1.00 25.30 O ATOM 540 CB VAL A 32 -18.547 -8.863 -22.095 1.00 52.23 C ATOM 541 CG1 VAL A 32 -17.982 -10.071 -21.364 1.00 5.53 C ATOM 542 CG2 VAL A 32 -17.449 -8.115 -22.836 1.00 2.14 C ATOM 0 H VAL A 32 -20.232 -7.277 -23.060 1.00 3.14 H new ATOM 0 HA VAL A 32 -19.203 -9.775 -23.937 1.00 73.33 H new ATOM 0 HB VAL A 32 -18.977 -8.189 -21.354 1.00 52.23 H new ATOM 0 HG11 VAL A 32 -17.198 -9.748 -20.679 1.00 5.53 H new ATOM 0 HG12 VAL A 32 -18.777 -10.560 -20.801 1.00 5.53 H new ATOM 0 HG13 VAL A 32 -17.565 -10.772 -22.087 1.00 5.53 H new ATOM 0 HG21 VAL A 32 -16.672 -7.818 -22.132 1.00 2.14 H new ATOM 0 HG22 VAL A 32 -17.019 -8.763 -23.599 1.00 2.14 H new ATOM 0 HG23 VAL A 32 -17.869 -7.227 -23.308 1.00 2.14 H new ATOM 552 N PHE A 33 -21.429 -9.768 -21.484 1.00 44.33 N ATOM 553 CA PHE A 33 -22.364 -10.606 -20.744 1.00 33.01 C ATOM 554 C PHE A 33 -23.467 -11.130 -21.659 1.00 41.05 C ATOM 555 O PHE A 33 -24.078 -12.163 -21.385 1.00 13.33 O ATOM 556 CB PHE A 33 -22.979 -9.820 -19.585 1.00 14.55 C ATOM 557 CG PHE A 33 -23.137 -10.628 -18.329 1.00 35.23 C ATOM 558 CD1 PHE A 33 -22.051 -10.872 -17.504 1.00 44.44 C ATOM 559 CD2 PHE A 33 -24.373 -11.144 -17.972 1.00 62.42 C ATOM 560 CE1 PHE A 33 -22.193 -11.616 -16.349 1.00 33.12 C ATOM 561 CE2 PHE A 33 -24.522 -11.889 -16.817 1.00 63.34 C ATOM 562 CZ PHE A 33 -23.430 -12.124 -16.004 1.00 75.52 C ATOM 0 H PHE A 33 -21.487 -8.774 -21.262 1.00 44.33 H new ATOM 0 HA PHE A 33 -21.812 -11.457 -20.345 1.00 33.01 H new ATOM 0 HB2 PHE A 33 -22.354 -8.952 -19.373 1.00 14.55 H new ATOM 0 HB3 PHE A 33 -23.955 -9.443 -19.890 1.00 14.55 H new ATOM 0 HD1 PHE A 33 -21.081 -10.476 -17.767 1.00 44.44 H new ATOM 0 HD2 PHE A 33 -25.230 -10.962 -18.604 1.00 62.42 H new ATOM 0 HE1 PHE A 33 -21.337 -11.800 -15.716 1.00 33.12 H new ATOM 0 HE2 PHE A 33 -25.490 -12.287 -16.551 1.00 63.34 H new ATOM 0 HZ PHE A 33 -23.544 -12.704 -15.100 1.00 75.52 H new ATOM 572 N ASP A 34 -23.715 -10.410 -22.748 1.00 34.21 N ATOM 573 CA ASP A 34 -24.744 -10.801 -23.705 1.00 64.51 C ATOM 574 C ASP A 34 -24.305 -12.025 -24.504 1.00 11.01 C ATOM 575 O ASP A 34 -25.058 -12.988 -24.644 1.00 24.55 O ATOM 576 CB ASP A 34 -25.055 -9.643 -24.654 1.00 12.35 C ATOM 577 CG ASP A 34 -25.827 -10.089 -25.879 1.00 72.54 C ATOM 578 OD1 ASP A 34 -25.204 -10.666 -26.796 1.00 34.54 O ATOM 579 OD2 ASP A 34 -27.054 -9.863 -25.922 1.00 53.14 O ATOM 0 H ASP A 34 -23.218 -9.553 -22.990 1.00 34.21 H new ATOM 0 HA ASP A 34 -25.646 -11.056 -23.148 1.00 64.51 H new ATOM 0 HB2 ASP A 34 -25.630 -8.886 -24.122 1.00 12.35 H new ATOM 0 HB3 ASP A 34 -24.122 -9.173 -24.967 1.00 12.35 H new ATOM 584 N GLU A 35 -23.084 -11.978 -25.026 1.00 44.24 N ATOM 585 CA GLU A 35 -22.547 -13.082 -25.813 1.00 22.12 C ATOM 586 C GLU A 35 -22.330 -14.316 -24.941 1.00 42.21 C ATOM 587 O GLU A 35 -22.574 -15.443 -25.372 1.00 22.44 O ATOM 588 CB GLU A 35 -21.229 -12.673 -26.474 1.00 21.20 C ATOM 589 CG GLU A 35 -20.163 -12.232 -25.485 1.00 40.11 C ATOM 590 CD GLU A 35 -18.876 -11.807 -26.165 1.00 70.24 C ATOM 591 OE1 GLU A 35 -18.801 -11.906 -27.408 1.00 5.32 O ATOM 592 OE2 GLU A 35 -17.944 -11.376 -25.454 1.00 52.03 O ATOM 0 H GLU A 35 -22.448 -11.188 -24.918 1.00 44.24 H new ATOM 0 HA GLU A 35 -23.272 -13.329 -26.588 1.00 22.12 H new ATOM 0 HB2 GLU A 35 -20.848 -13.513 -27.055 1.00 21.20 H new ATOM 0 HB3 GLU A 35 -21.421 -11.861 -27.175 1.00 21.20 H new ATOM 0 HG2 GLU A 35 -20.546 -11.403 -24.890 1.00 40.11 H new ATOM 0 HG3 GLU A 35 -19.952 -13.049 -24.795 1.00 40.11 H new ATOM 599 N ILE A 36 -21.870 -14.093 -23.715 1.00 3.22 N ATOM 600 CA ILE A 36 -21.620 -15.185 -22.783 1.00 33.34 C ATOM 601 C ILE A 36 -22.928 -15.793 -22.285 1.00 44.41 C ATOM 602 O ILE A 36 -23.000 -16.989 -22.005 1.00 40.20 O ATOM 603 CB ILE A 36 -20.793 -14.715 -21.572 1.00 44.41 C ATOM 604 CG1 ILE A 36 -19.444 -14.158 -22.034 1.00 73.01 C ATOM 605 CG2 ILE A 36 -20.591 -15.860 -20.591 1.00 1.31 C ATOM 606 CD1 ILE A 36 -18.763 -13.289 -21.000 1.00 54.54 C ATOM 0 H ILE A 36 -21.663 -13.166 -23.344 1.00 3.22 H new ATOM 0 HA ILE A 36 -21.054 -15.940 -23.328 1.00 33.34 H new ATOM 0 HB ILE A 36 -21.339 -13.920 -21.064 1.00 44.41 H new ATOM 0 HG12 ILE A 36 -18.786 -14.988 -22.290 1.00 73.01 H new ATOM 0 HG13 ILE A 36 -19.592 -13.577 -22.944 1.00 73.01 H new ATOM 0 HG21 ILE A 36 -20.005 -15.512 -19.741 1.00 1.31 H new ATOM 0 HG22 ILE A 36 -21.561 -16.215 -20.242 1.00 1.31 H new ATOM 0 HG23 ILE A 36 -20.063 -16.675 -21.086 1.00 1.31 H new ATOM 0 HD11 ILE A 36 -17.813 -12.929 -21.396 1.00 54.54 H new ATOM 0 HD12 ILE A 36 -19.402 -12.439 -20.761 1.00 54.54 H new ATOM 0 HD13 ILE A 36 -18.583 -13.872 -20.097 1.00 54.54 H new ATOM 618 N GLN A 37 -23.958 -14.960 -22.180 1.00 12.04 N ATOM 619 CA GLN A 37 -25.264 -15.416 -21.717 1.00 4.20 C ATOM 620 C GLN A 37 -25.918 -16.329 -22.748 1.00 71.31 C ATOM 621 O GLN A 37 -26.564 -17.316 -22.395 1.00 41.32 O ATOM 622 CB GLN A 37 -26.172 -14.220 -21.428 1.00 52.43 C ATOM 623 CG GLN A 37 -26.087 -13.723 -19.994 1.00 31.20 C ATOM 624 CD GLN A 37 -26.874 -12.447 -19.771 1.00 4.54 C ATOM 625 OE1 GLN A 37 -27.712 -12.369 -18.872 1.00 25.13 O ATOM 626 NE2 GLN A 37 -26.607 -11.436 -20.590 1.00 11.24 N ATOM 0 H GLN A 37 -23.914 -13.967 -22.409 1.00 12.04 H new ATOM 0 HA GLN A 37 -25.118 -15.983 -20.797 1.00 4.20 H new ATOM 0 HB2 GLN A 37 -25.910 -13.405 -22.102 1.00 52.43 H new ATOM 0 HB3 GLN A 37 -27.203 -14.496 -21.647 1.00 52.43 H new ATOM 0 HG2 GLN A 37 -26.459 -14.497 -19.323 1.00 31.20 H new ATOM 0 HG3 GLN A 37 -25.042 -13.551 -19.734 1.00 31.20 H new ATOM 0 HE21 GLN A 37 -25.905 -11.544 -21.322 1.00 11.24 H new ATOM 0 HE22 GLN A 37 -27.104 -10.551 -20.487 1.00 11.24 H new ATOM 635 N GLN A 38 -25.747 -15.993 -24.023 1.00 24.44 N ATOM 636 CA GLN A 38 -26.322 -16.784 -25.104 1.00 51.44 C ATOM 637 C GLN A 38 -25.561 -18.093 -25.286 1.00 53.25 C ATOM 638 O GLN A 38 -26.156 -19.171 -25.308 1.00 45.14 O ATOM 639 CB GLN A 38 -26.308 -15.986 -26.410 1.00 34.32 C ATOM 640 CG GLN A 38 -27.099 -14.690 -26.339 1.00 51.22 C ATOM 641 CD GLN A 38 -28.513 -14.839 -26.865 1.00 31.31 C ATOM 642 OE1 GLN A 38 -28.875 -14.248 -27.882 1.00 52.14 O ATOM 643 NE2 GLN A 38 -29.322 -15.633 -26.172 1.00 64.24 N ATOM 0 H GLN A 38 -25.215 -15.179 -24.332 1.00 24.44 H new ATOM 0 HA GLN A 38 -27.353 -17.019 -24.840 1.00 51.44 H new ATOM 0 HB2 GLN A 38 -25.276 -15.758 -26.676 1.00 34.32 H new ATOM 0 HB3 GLN A 38 -26.713 -16.606 -27.209 1.00 34.32 H new ATOM 0 HG2 GLN A 38 -27.134 -14.347 -25.305 1.00 51.22 H new ATOM 0 HG3 GLN A 38 -26.581 -13.921 -26.913 1.00 51.22 H new ATOM 0 HE21 GLN A 38 -28.980 -16.104 -25.334 1.00 64.24 H new ATOM 0 HE22 GLN A 38 -30.285 -15.772 -26.478 1.00 64.24 H new ATOM 652 N LYS A 39 -24.243 -17.992 -25.417 1.00 41.02 N ATOM 653 CA LYS A 39 -23.399 -19.168 -25.597 1.00 12.53 C ATOM 654 C LYS A 39 -23.563 -20.138 -24.431 1.00 52.13 C ATOM 655 O LYS A 39 -23.456 -21.353 -24.602 1.00 73.12 O ATOM 656 CB LYS A 39 -21.932 -18.753 -25.726 1.00 42.41 C ATOM 657 CG LYS A 39 -21.279 -18.403 -24.400 1.00 33.32 C ATOM 658 CD LYS A 39 -19.875 -17.857 -24.596 1.00 10.00 C ATOM 659 CE LYS A 39 -19.033 -18.020 -23.340 1.00 11.22 C ATOM 660 NZ LYS A 39 -17.685 -17.406 -23.492 1.00 41.12 N ATOM 0 H LYS A 39 -23.735 -17.107 -25.402 1.00 41.02 H new ATOM 0 HA LYS A 39 -23.710 -19.671 -26.513 1.00 12.53 H new ATOM 0 HB2 LYS A 39 -21.374 -19.564 -26.193 1.00 42.41 H new ATOM 0 HB3 LYS A 39 -21.864 -17.894 -26.393 1.00 42.41 H new ATOM 0 HG2 LYS A 39 -21.888 -17.665 -23.878 1.00 33.32 H new ATOM 0 HG3 LYS A 39 -21.240 -19.290 -23.767 1.00 33.32 H new ATOM 0 HD2 LYS A 39 -19.395 -18.374 -25.427 1.00 10.00 H new ATOM 0 HD3 LYS A 39 -19.928 -16.802 -24.865 1.00 10.00 H new ATOM 0 HE2 LYS A 39 -19.548 -17.561 -22.496 1.00 11.22 H new ATOM 0 HE3 LYS A 39 -18.925 -19.080 -23.110 1.00 11.22 H new ATOM 0 HZ1 LYS A 39 -17.142 -17.538 -22.615 1.00 41.12 H new ATOM 0 HZ2 LYS A 39 -17.183 -17.861 -24.281 1.00 41.12 H new ATOM 0 HZ3 LYS A 39 -17.786 -16.389 -23.686 1.00 41.12 H new ATOM 674 N LEU A 40 -23.824 -19.595 -23.247 1.00 54.35 N ATOM 675 CA LEU A 40 -24.005 -20.413 -22.053 1.00 70.03 C ATOM 676 C LEU A 40 -25.486 -20.639 -21.767 1.00 11.00 C ATOM 677 O LEU A 40 -25.846 -21.351 -20.829 1.00 13.33 O ATOM 678 CB LEU A 40 -23.337 -19.747 -20.849 1.00 62.31 C ATOM 679 CG LEU A 40 -21.814 -19.623 -20.910 1.00 60.11 C ATOM 680 CD1 LEU A 40 -21.272 -19.057 -19.607 1.00 21.43 C ATOM 681 CD2 LEU A 40 -21.180 -20.973 -21.212 1.00 75.31 C ATOM 0 H LEU A 40 -23.915 -18.592 -23.088 1.00 54.35 H new ATOM 0 HA LEU A 40 -23.537 -21.381 -22.231 1.00 70.03 H new ATOM 0 HB2 LEU A 40 -23.758 -18.749 -20.731 1.00 62.31 H new ATOM 0 HB3 LEU A 40 -23.600 -20.312 -19.954 1.00 62.31 H new ATOM 0 HG LEU A 40 -21.557 -18.935 -21.716 1.00 60.11 H new ATOM 0 HD11 LEU A 40 -20.187 -18.976 -19.669 1.00 21.43 H new ATOM 0 HD12 LEU A 40 -21.700 -18.070 -19.433 1.00 21.43 H new ATOM 0 HD13 LEU A 40 -21.540 -19.719 -18.783 1.00 21.43 H new ATOM 0 HD21 LEU A 40 -20.096 -20.865 -21.252 1.00 75.31 H new ATOM 0 HD22 LEU A 40 -21.446 -21.683 -20.429 1.00 75.31 H new ATOM 0 HD23 LEU A 40 -21.543 -21.339 -22.172 1.00 75.31 H new ATOM 693 N HIS A 41 -26.341 -20.030 -22.583 1.00 21.22 N ATOM 694 CA HIS A 41 -27.784 -20.167 -22.419 1.00 22.31 C ATOM 695 C HIS A 41 -28.201 -19.847 -20.987 1.00 23.14 C ATOM 696 O HIS A 41 -29.128 -20.453 -20.448 1.00 62.15 O ATOM 697 CB HIS A 41 -28.228 -21.583 -22.787 1.00 61.32 C ATOM 698 CG HIS A 41 -27.962 -21.941 -24.217 1.00 74.40 C ATOM 699 ND1 HIS A 41 -28.965 -22.228 -25.120 1.00 25.34 N ATOM 700 CD2 HIS A 41 -26.799 -22.057 -24.899 1.00 51.45 C ATOM 701 CE1 HIS A 41 -28.429 -22.506 -26.295 1.00 32.31 C ATOM 702 NE2 HIS A 41 -27.116 -22.409 -26.188 1.00 53.43 N ATOM 0 H HIS A 41 -26.060 -19.437 -23.364 1.00 21.22 H new ATOM 0 HA HIS A 41 -28.270 -19.456 -23.088 1.00 22.31 H new ATOM 0 HB2 HIS A 41 -27.715 -22.295 -22.141 1.00 61.32 H new ATOM 0 HB3 HIS A 41 -29.295 -21.684 -22.588 1.00 61.32 H new ATOM 0 HD2 HIS A 41 -25.806 -21.902 -24.503 1.00 51.45 H new ATOM 0 HE1 HIS A 41 -28.972 -22.768 -27.191 1.00 32.31 H new ATOM 0 HE2 HIS A 41 -26.446 -22.569 -26.940 1.00 53.43 H new ATOM 711 N CYS A 42 -27.510 -18.892 -20.374 1.00 3.30 N ATOM 712 CA CYS A 42 -27.806 -18.491 -19.004 1.00 35.20 C ATOM 713 C CYS A 42 -28.231 -17.027 -18.945 1.00 51.32 C ATOM 714 O CYS A 42 -27.974 -16.256 -19.871 1.00 24.42 O ATOM 715 CB CYS A 42 -26.586 -18.716 -18.109 1.00 31.10 C ATOM 716 SG CYS A 42 -25.133 -17.718 -18.568 1.00 52.32 S ATOM 0 H CYS A 42 -26.740 -18.381 -20.805 1.00 3.30 H new ATOM 0 HA CYS A 42 -28.631 -19.105 -18.643 1.00 35.20 H new ATOM 0 HB2 CYS A 42 -26.858 -18.489 -17.078 1.00 31.10 H new ATOM 0 HB3 CYS A 42 -26.314 -19.771 -18.142 1.00 31.10 H new ATOM 721 N CYS A 43 -28.883 -16.649 -17.851 1.00 31.03 N ATOM 722 CA CYS A 43 -29.344 -15.278 -17.669 1.00 52.15 C ATOM 723 C CYS A 43 -28.790 -14.684 -16.378 1.00 11.13 C ATOM 724 O CYS A 43 -28.698 -15.366 -15.358 1.00 12.42 O ATOM 725 CB CYS A 43 -30.873 -15.230 -17.651 1.00 33.22 C ATOM 726 SG CYS A 43 -31.563 -13.552 -17.491 1.00 0.23 S ATOM 0 H CYS A 43 -29.104 -17.274 -17.076 1.00 31.03 H new ATOM 0 HA CYS A 43 -28.978 -14.684 -18.507 1.00 52.15 H new ATOM 0 HB2 CYS A 43 -31.251 -15.680 -18.569 1.00 33.22 H new ATOM 0 HB3 CYS A 43 -31.235 -15.841 -16.824 1.00 33.22 H new ATOM 731 N GLY A 44 -28.422 -13.407 -16.430 1.00 31.20 N ATOM 732 CA GLY A 44 -27.882 -12.742 -15.259 1.00 22.45 C ATOM 733 C GLY A 44 -26.698 -13.481 -14.667 1.00 62.11 C ATOM 734 O GLY A 44 -26.260 -14.498 -15.205 1.00 51.42 O ATOM 0 H GLY A 44 -28.488 -12.822 -17.263 1.00 31.20 H new ATOM 0 HA2 GLY A 44 -27.578 -11.730 -15.527 1.00 22.45 H new ATOM 0 HA3 GLY A 44 -28.663 -12.650 -14.504 1.00 22.45 H new ATOM 738 N ALA A 45 -26.177 -12.968 -13.557 1.00 62.51 N ATOM 739 CA ALA A 45 -25.037 -13.587 -12.892 1.00 45.41 C ATOM 740 C ALA A 45 -25.464 -14.816 -12.098 1.00 14.24 C ATOM 741 O ALA A 45 -25.167 -15.948 -12.479 1.00 41.12 O ATOM 742 CB ALA A 45 -24.348 -12.581 -11.982 1.00 4.23 C ATOM 0 H ALA A 45 -26.526 -12.126 -13.100 1.00 62.51 H new ATOM 0 HA ALA A 45 -24.332 -13.910 -13.658 1.00 45.41 H new ATOM 0 HB1 ALA A 45 -23.498 -13.056 -11.492 1.00 4.23 H new ATOM 0 HB2 ALA A 45 -23.999 -11.735 -12.574 1.00 4.23 H new ATOM 0 HB3 ALA A 45 -25.053 -12.230 -11.228 1.00 4.23 H new ATOM 748 N ASP A 46 -26.163 -14.586 -10.991 1.00 41.44 N ATOM 749 CA ASP A 46 -26.632 -15.675 -10.143 1.00 12.12 C ATOM 750 C ASP A 46 -28.119 -15.934 -10.363 1.00 53.35 C ATOM 751 O ASP A 46 -28.671 -16.910 -9.856 1.00 55.05 O ATOM 752 CB ASP A 46 -26.371 -15.352 -8.671 1.00 21.02 C ATOM 753 CG ASP A 46 -26.218 -16.599 -7.823 1.00 23.41 C ATOM 754 OD1 ASP A 46 -26.677 -17.675 -8.261 1.00 20.21 O ATOM 755 OD2 ASP A 46 -25.638 -16.500 -6.722 1.00 21.04 O ATOM 0 H ASP A 46 -26.417 -13.655 -10.661 1.00 41.44 H new ATOM 0 HA ASP A 46 -26.081 -16.576 -10.413 1.00 12.12 H new ATOM 0 HB2 ASP A 46 -25.468 -14.748 -8.589 1.00 21.02 H new ATOM 0 HB3 ASP A 46 -27.193 -14.751 -8.283 1.00 21.02 H new ATOM 760 N SER A 47 -28.762 -15.052 -11.122 1.00 40.24 N ATOM 761 CA SER A 47 -30.186 -15.182 -11.406 1.00 74.02 C ATOM 762 C SER A 47 -30.651 -14.092 -12.367 1.00 2.30 C ATOM 763 O SER A 47 -30.000 -13.061 -12.538 1.00 45.03 O ATOM 764 CB SER A 47 -30.995 -15.113 -10.109 1.00 42.12 C ATOM 765 OG SER A 47 -30.316 -14.352 -9.125 1.00 52.43 O ATOM 0 H SER A 47 -28.319 -14.240 -11.551 1.00 40.24 H new ATOM 0 HA SER A 47 -30.350 -16.151 -11.877 1.00 74.02 H new ATOM 0 HB2 SER A 47 -31.970 -14.669 -10.308 1.00 42.12 H new ATOM 0 HB3 SER A 47 -31.174 -16.121 -9.734 1.00 42.12 H new ATOM 0 HG SER A 47 -30.854 -14.321 -8.306 1.00 52.43 H new ATOM 771 N PRO A 48 -31.805 -14.323 -13.010 1.00 30.02 N ATOM 772 CA PRO A 48 -32.384 -13.373 -13.964 1.00 41.22 C ATOM 773 C PRO A 48 -32.903 -12.111 -13.283 1.00 43.23 C ATOM 774 O PRO A 48 -32.928 -11.035 -13.882 1.00 73.32 O ATOM 775 CB PRO A 48 -33.540 -14.157 -14.589 1.00 34.32 C ATOM 776 CG PRO A 48 -33.912 -15.168 -13.559 1.00 60.14 C ATOM 777 CD PRO A 48 -32.634 -15.530 -12.854 1.00 52.01 C ATOM 0 HA PRO A 48 -31.648 -13.023 -14.688 1.00 41.22 H new ATOM 0 HB2 PRO A 48 -34.380 -13.504 -14.824 1.00 34.32 H new ATOM 0 HB3 PRO A 48 -33.237 -14.634 -15.521 1.00 34.32 H new ATOM 0 HG2 PRO A 48 -34.642 -14.762 -12.859 1.00 60.14 H new ATOM 0 HG3 PRO A 48 -34.366 -16.046 -14.019 1.00 60.14 H new ATOM 0 HD2 PRO A 48 -32.807 -15.766 -11.804 1.00 52.01 H new ATOM 0 HD3 PRO A 48 -32.161 -16.403 -13.303 1.00 52.01 H new ATOM 785 N LYS A 49 -33.315 -12.248 -12.028 1.00 34.51 N ATOM 786 CA LYS A 49 -33.832 -11.119 -11.264 1.00 32.43 C ATOM 787 C LYS A 49 -32.752 -10.062 -11.057 1.00 73.21 C ATOM 788 O LYS A 49 -33.049 -8.914 -10.727 1.00 34.15 O ATOM 789 CB LYS A 49 -34.362 -11.594 -9.909 1.00 12.03 C ATOM 790 CG LYS A 49 -35.444 -12.655 -10.016 1.00 64.04 C ATOM 791 CD LYS A 49 -36.786 -12.048 -10.388 1.00 42.44 C ATOM 792 CE LYS A 49 -37.781 -13.115 -10.818 1.00 44.25 C ATOM 793 NZ LYS A 49 -38.074 -14.075 -9.719 1.00 23.22 N ATOM 0 H LYS A 49 -33.301 -13.131 -11.517 1.00 34.51 H new ATOM 0 HA LYS A 49 -34.649 -10.672 -11.831 1.00 32.43 H new ATOM 0 HB2 LYS A 49 -33.533 -11.991 -9.323 1.00 12.03 H new ATOM 0 HB3 LYS A 49 -34.758 -10.738 -9.363 1.00 12.03 H new ATOM 0 HG2 LYS A 49 -35.158 -13.394 -10.765 1.00 64.04 H new ATOM 0 HG3 LYS A 49 -35.533 -13.182 -9.066 1.00 64.04 H new ATOM 0 HD2 LYS A 49 -37.186 -11.498 -9.536 1.00 42.44 H new ATOM 0 HD3 LYS A 49 -36.650 -11.329 -11.196 1.00 42.44 H new ATOM 0 HE2 LYS A 49 -38.707 -12.639 -11.141 1.00 44.25 H new ATOM 0 HE3 LYS A 49 -37.384 -13.656 -11.677 1.00 44.25 H new ATOM 0 HZ1 LYS A 49 -38.830 -14.724 -10.017 1.00 23.22 H new ATOM 0 HZ2 LYS A 49 -37.217 -14.621 -9.497 1.00 23.22 H new ATOM 0 HZ3 LYS A 49 -38.380 -13.552 -8.874 1.00 23.22 H new ATOM 807 N ASP A 50 -31.499 -10.457 -11.255 1.00 53.42 N ATOM 808 CA ASP A 50 -30.375 -9.542 -11.093 1.00 51.10 C ATOM 809 C ASP A 50 -30.556 -8.300 -11.960 1.00 11.55 C ATOM 810 O ASP A 50 -30.034 -7.230 -11.645 1.00 44.25 O ATOM 811 CB ASP A 50 -29.064 -10.243 -11.452 1.00 40.20 C ATOM 812 CG ASP A 50 -28.653 -11.269 -10.415 1.00 34.42 C ATOM 813 OD1 ASP A 50 -28.984 -11.076 -9.226 1.00 65.12 O ATOM 814 OD2 ASP A 50 -28.001 -12.266 -10.791 1.00 51.24 O ATOM 0 H ASP A 50 -31.236 -11.404 -11.528 1.00 53.42 H new ATOM 0 HA ASP A 50 -30.338 -9.232 -10.049 1.00 51.10 H new ATOM 0 HB2 ASP A 50 -29.170 -10.732 -12.420 1.00 40.20 H new ATOM 0 HB3 ASP A 50 -28.274 -9.499 -11.556 1.00 40.20 H new ATOM 819 N TYR A 51 -31.298 -8.449 -13.051 1.00 50.01 N ATOM 820 CA TYR A 51 -31.545 -7.340 -13.965 1.00 61.12 C ATOM 821 C TYR A 51 -32.786 -6.557 -13.549 1.00 11.23 C ATOM 822 O TYR A 51 -32.931 -5.380 -13.878 1.00 74.53 O ATOM 823 CB TYR A 51 -31.711 -7.858 -15.395 1.00 43.40 C ATOM 824 CG TYR A 51 -30.416 -8.316 -16.027 1.00 41.32 C ATOM 825 CD1 TYR A 51 -29.326 -7.459 -16.124 1.00 53.34 C ATOM 826 CD2 TYR A 51 -30.282 -9.605 -16.528 1.00 50.40 C ATOM 827 CE1 TYR A 51 -28.141 -7.872 -16.702 1.00 34.53 C ATOM 828 CE2 TYR A 51 -29.101 -10.027 -17.106 1.00 25.44 C ATOM 829 CZ TYR A 51 -28.033 -9.158 -17.190 1.00 53.24 C ATOM 830 OH TYR A 51 -26.855 -9.575 -17.766 1.00 52.33 O ATOM 0 H TYR A 51 -31.739 -9.327 -13.324 1.00 50.01 H new ATOM 0 HA TYR A 51 -30.685 -6.671 -13.925 1.00 61.12 H new ATOM 0 HB2 TYR A 51 -32.418 -8.688 -15.392 1.00 43.40 H new ATOM 0 HB3 TYR A 51 -32.147 -7.070 -16.010 1.00 43.40 H new ATOM 0 HD1 TYR A 51 -29.407 -6.453 -15.741 1.00 53.34 H new ATOM 0 HD2 TYR A 51 -31.116 -10.289 -16.464 1.00 50.40 H new ATOM 0 HE1 TYR A 51 -27.304 -7.192 -16.771 1.00 34.53 H new ATOM 0 HE2 TYR A 51 -29.014 -11.033 -17.490 1.00 25.44 H new ATOM 0 HH TYR A 51 -26.405 -8.810 -18.182 1.00 52.33 H new ATOM 840 N GLY A 52 -33.680 -7.220 -12.820 1.00 44.43 N ATOM 841 CA GLY A 52 -34.897 -6.571 -12.369 1.00 60.13 C ATOM 842 C GLY A 52 -36.140 -7.172 -12.995 1.00 40.00 C ATOM 843 O GLY A 52 -36.544 -8.281 -12.646 1.00 44.30 O ATOM 0 H GLY A 52 -33.583 -8.194 -12.534 1.00 44.43 H new ATOM 0 HA2 GLY A 52 -34.966 -6.649 -11.284 1.00 60.13 H new ATOM 0 HA3 GLY A 52 -34.850 -5.509 -12.610 1.00 60.13 H new ATOM 847 N GLU A 53 -36.749 -6.438 -13.921 1.00 1.41 N ATOM 848 CA GLU A 53 -37.955 -6.905 -14.594 1.00 50.21 C ATOM 849 C GLU A 53 -37.865 -6.667 -16.099 1.00 11.23 C ATOM 850 O GLU A 53 -38.880 -6.496 -16.772 1.00 51.43 O ATOM 851 CB GLU A 53 -39.188 -6.198 -14.028 1.00 12.03 C ATOM 852 CG GLU A 53 -39.271 -4.727 -14.399 1.00 72.05 C ATOM 853 CD GLU A 53 -40.217 -3.951 -13.503 1.00 71.35 C ATOM 854 OE1 GLU A 53 -41.421 -3.885 -13.829 1.00 31.53 O ATOM 855 OE2 GLU A 53 -39.754 -3.410 -12.478 1.00 21.00 O ATOM 0 H GLU A 53 -36.427 -5.518 -14.222 1.00 1.41 H new ATOM 0 HA GLU A 53 -38.047 -7.977 -14.418 1.00 50.21 H new ATOM 0 HB2 GLU A 53 -40.084 -6.705 -14.386 1.00 12.03 H new ATOM 0 HB3 GLU A 53 -39.183 -6.290 -12.942 1.00 12.03 H new ATOM 0 HG2 GLU A 53 -38.276 -4.285 -14.340 1.00 72.05 H new ATOM 0 HG3 GLU A 53 -39.600 -4.635 -15.434 1.00 72.05 H new ATOM 862 N ASN A 54 -36.642 -6.657 -16.618 1.00 62.13 N ATOM 863 CA ASN A 54 -36.418 -6.439 -18.043 1.00 11.02 C ATOM 864 C ASN A 54 -34.979 -6.773 -18.425 1.00 54.00 C ATOM 865 O ASN A 54 -34.157 -5.892 -18.677 1.00 53.14 O ATOM 866 CB ASN A 54 -36.732 -4.988 -18.413 1.00 74.14 C ATOM 867 CG ASN A 54 -36.300 -4.010 -17.338 1.00 32.10 C ATOM 868 OD1 ASN A 54 -35.111 -3.739 -17.172 1.00 1.05 O ATOM 869 ND2 ASN A 54 -37.267 -3.476 -16.601 1.00 53.55 N ATOM 0 H ASN A 54 -35.791 -6.797 -16.074 1.00 62.13 H new ATOM 0 HA ASN A 54 -37.085 -7.101 -18.596 1.00 11.02 H new ATOM 0 HB2 ASN A 54 -36.232 -4.739 -19.349 1.00 74.14 H new ATOM 0 HB3 ASN A 54 -37.803 -4.884 -18.586 1.00 74.14 H new ATOM 0 HD21 ASN A 54 -37.037 -2.812 -15.862 1.00 53.55 H new ATOM 0 HD22 ASN A 54 -38.240 -3.730 -16.774 1.00 53.55 H new ATOM 876 N PRO A 55 -34.666 -8.076 -18.470 1.00 34.54 N ATOM 877 CA PRO A 55 -33.327 -8.557 -18.821 1.00 71.43 C ATOM 878 C PRO A 55 -32.996 -8.327 -20.292 1.00 31.21 C ATOM 879 O PRO A 55 -33.863 -8.005 -21.105 1.00 64.11 O ATOM 880 CB PRO A 55 -33.397 -10.056 -18.517 1.00 71.03 C ATOM 881 CG PRO A 55 -34.842 -10.400 -18.637 1.00 2.45 C ATOM 882 CD PRO A 55 -35.596 -9.181 -18.181 1.00 32.22 C ATOM 0 HA PRO A 55 -32.548 -8.032 -18.268 1.00 71.43 H new ATOM 0 HB2 PRO A 55 -32.794 -10.631 -19.219 1.00 71.03 H new ATOM 0 HB3 PRO A 55 -33.019 -10.275 -17.518 1.00 71.03 H new ATOM 0 HG2 PRO A 55 -35.098 -10.656 -19.665 1.00 2.45 H new ATOM 0 HG3 PRO A 55 -35.090 -11.265 -18.022 1.00 2.45 H new ATOM 0 HD2 PRO A 55 -36.537 -9.066 -18.720 1.00 32.22 H new ATOM 0 HD3 PRO A 55 -35.840 -9.233 -17.120 1.00 32.22 H new ATOM 890 N PRO A 56 -31.713 -8.496 -20.644 1.00 1.00 N ATOM 891 CA PRO A 56 -31.238 -8.312 -22.019 1.00 35.52 C ATOM 892 C PRO A 56 -31.741 -9.405 -22.956 1.00 54.02 C ATOM 893 O PRO A 56 -32.142 -10.482 -22.514 1.00 22.24 O ATOM 894 CB PRO A 56 -29.716 -8.385 -21.881 1.00 63.13 C ATOM 895 CG PRO A 56 -29.485 -9.196 -20.653 1.00 5.20 C ATOM 896 CD PRO A 56 -30.626 -8.880 -19.727 1.00 53.51 C ATOM 0 HA PRO A 56 -31.596 -7.378 -22.453 1.00 35.52 H new ATOM 0 HB2 PRO A 56 -29.261 -8.852 -22.755 1.00 63.13 H new ATOM 0 HB3 PRO A 56 -29.279 -7.391 -21.787 1.00 63.13 H new ATOM 0 HG2 PRO A 56 -29.456 -10.260 -20.888 1.00 5.20 H new ATOM 0 HG3 PRO A 56 -28.529 -8.945 -20.194 1.00 5.20 H new ATOM 0 HD2 PRO A 56 -30.900 -9.741 -19.118 1.00 53.51 H new ATOM 0 HD3 PRO A 56 -30.375 -8.071 -19.041 1.00 53.51 H new ATOM 904 N THR A 57 -31.718 -9.121 -24.255 1.00 21.21 N ATOM 905 CA THR A 57 -32.172 -10.079 -25.255 1.00 31.31 C ATOM 906 C THR A 57 -31.355 -11.365 -25.196 1.00 3.41 C ATOM 907 O THR A 57 -31.790 -12.411 -25.676 1.00 35.13 O ATOM 908 CB THR A 57 -32.083 -9.492 -26.676 1.00 70.53 C ATOM 909 OG1 THR A 57 -32.581 -10.439 -27.629 1.00 3.41 O ATOM 910 CG2 THR A 57 -30.648 -9.125 -27.021 1.00 64.11 C ATOM 0 H THR A 57 -31.390 -8.235 -24.639 1.00 21.21 H new ATOM 0 HA THR A 57 -33.214 -10.304 -25.027 1.00 31.31 H new ATOM 0 HB THR A 57 -32.691 -8.588 -26.711 1.00 70.53 H new ATOM 0 HG1 THR A 57 -32.588 -11.333 -27.228 1.00 3.41 H new ATOM 0 HG21 THR A 57 -30.610 -8.713 -28.029 1.00 64.11 H new ATOM 0 HG22 THR A 57 -30.282 -8.383 -26.312 1.00 64.11 H new ATOM 0 HG23 THR A 57 -30.022 -10.016 -26.970 1.00 64.11 H new ATOM 918 N SER A 58 -30.168 -11.279 -24.604 1.00 23.11 N ATOM 919 CA SER A 58 -29.288 -12.436 -24.485 1.00 43.30 C ATOM 920 C SER A 58 -29.859 -13.454 -23.503 1.00 4.03 C ATOM 921 O SER A 58 -29.614 -14.655 -23.623 1.00 3.24 O ATOM 922 CB SER A 58 -27.894 -11.998 -24.031 1.00 2.02 C ATOM 923 OG SER A 58 -27.927 -10.701 -23.460 1.00 32.41 O ATOM 0 H SER A 58 -29.794 -10.421 -24.199 1.00 23.11 H new ATOM 0 HA SER A 58 -29.212 -12.906 -25.465 1.00 43.30 H new ATOM 0 HB2 SER A 58 -27.505 -12.710 -23.303 1.00 2.02 H new ATOM 0 HB3 SER A 58 -27.212 -12.007 -24.881 1.00 2.02 H new ATOM 0 HG SER A 58 -27.733 -10.034 -24.151 1.00 32.41 H new ATOM 929 N CYS A 59 -30.621 -12.965 -22.531 1.00 34.44 N ATOM 930 CA CYS A 59 -31.228 -13.830 -21.526 1.00 20.41 C ATOM 931 C CYS A 59 -32.248 -14.771 -22.162 1.00 1.41 C ATOM 932 O CYS A 59 -32.627 -15.782 -21.572 1.00 73.22 O ATOM 933 CB CYS A 59 -31.901 -12.990 -20.439 1.00 21.44 C ATOM 934 SG CYS A 59 -30.801 -12.543 -19.057 1.00 21.40 S ATOM 0 H CYS A 59 -30.833 -11.974 -22.418 1.00 34.44 H new ATOM 0 HA CYS A 59 -30.438 -14.430 -21.075 1.00 20.41 H new ATOM 0 HB2 CYS A 59 -32.290 -12.077 -20.889 1.00 21.44 H new ATOM 0 HB3 CYS A 59 -32.755 -13.541 -20.046 1.00 21.44 H new ATOM 939 N SER A 60 -32.687 -14.429 -23.369 1.00 14.21 N ATOM 940 CA SER A 60 -33.666 -15.240 -24.084 1.00 41.30 C ATOM 941 C SER A 60 -33.168 -15.582 -25.485 1.00 23.43 C ATOM 942 O SER A 60 -32.246 -14.950 -26.001 1.00 54.33 O ATOM 943 CB SER A 60 -35.004 -14.503 -24.172 1.00 44.23 C ATOM 944 OG SER A 60 -34.819 -13.100 -24.096 1.00 10.21 O ATOM 0 H SER A 60 -32.381 -13.596 -23.872 1.00 14.21 H new ATOM 0 HA SER A 60 -33.807 -16.168 -23.530 1.00 41.30 H new ATOM 0 HB2 SER A 60 -35.502 -14.757 -25.108 1.00 44.23 H new ATOM 0 HB3 SER A 60 -35.657 -14.831 -23.364 1.00 44.23 H new ATOM 0 HG SER A 60 -35.688 -12.652 -24.156 1.00 10.21 H new ATOM 950 N LYS A 61 -33.784 -16.589 -26.095 1.00 23.20 N ATOM 951 CA LYS A 61 -33.406 -17.018 -27.437 1.00 2.45 C ATOM 952 C LYS A 61 -34.479 -17.916 -28.043 1.00 40.12 C ATOM 953 O LYS A 61 -35.034 -18.780 -27.365 1.00 74.41 O ATOM 954 CB LYS A 61 -32.067 -17.758 -27.400 1.00 20.14 C ATOM 955 CG LYS A 61 -31.304 -17.700 -28.711 1.00 64.44 C ATOM 956 CD LYS A 61 -30.564 -18.999 -28.984 1.00 30.52 C ATOM 957 CE LYS A 61 -31.429 -19.982 -29.759 1.00 12.53 C ATOM 958 NZ LYS A 61 -30.609 -20.933 -30.558 1.00 25.13 N ATOM 0 H LYS A 61 -34.548 -17.124 -25.681 1.00 23.20 H new ATOM 0 HA LYS A 61 -33.306 -16.130 -28.061 1.00 2.45 H new ATOM 0 HB2 LYS A 61 -31.448 -17.333 -26.610 1.00 20.14 H new ATOM 0 HB3 LYS A 61 -32.245 -18.801 -27.139 1.00 20.14 H new ATOM 0 HG2 LYS A 61 -31.997 -17.497 -29.527 1.00 64.44 H new ATOM 0 HG3 LYS A 61 -30.593 -16.874 -28.683 1.00 64.44 H new ATOM 0 HD2 LYS A 61 -29.655 -18.789 -29.548 1.00 30.52 H new ATOM 0 HD3 LYS A 61 -30.257 -19.449 -28.040 1.00 30.52 H new ATOM 0 HE2 LYS A 61 -32.057 -20.539 -29.064 1.00 12.53 H new ATOM 0 HE3 LYS A 61 -32.097 -19.433 -30.422 1.00 12.53 H new ATOM 0 HZ1 LYS A 61 -31.236 -21.586 -31.071 1.00 25.13 H new ATOM 0 HZ2 LYS A 61 -30.028 -20.403 -31.239 1.00 25.13 H new ATOM 0 HZ3 LYS A 61 -29.989 -21.475 -29.923 1.00 25.13 H new ATOM 972 N ASP A 62 -34.765 -17.707 -29.324 1.00 4.44 N ATOM 973 CA ASP A 62 -35.770 -18.499 -30.022 1.00 65.43 C ATOM 974 C ASP A 62 -37.100 -18.470 -29.276 1.00 63.51 C ATOM 975 O ASP A 62 -37.899 -19.401 -29.374 1.00 45.03 O ATOM 976 CB ASP A 62 -35.291 -19.943 -30.181 1.00 61.40 C ATOM 977 CG ASP A 62 -34.352 -20.116 -31.359 1.00 3.15 C ATOM 978 OD1 ASP A 62 -33.925 -19.092 -31.933 1.00 15.10 O ATOM 979 OD2 ASP A 62 -34.042 -21.275 -31.705 1.00 51.31 O ATOM 0 H ASP A 62 -34.315 -16.995 -29.900 1.00 4.44 H new ATOM 0 HA ASP A 62 -35.919 -18.063 -31.010 1.00 65.43 H new ATOM 0 HB2 ASP A 62 -34.785 -20.257 -29.268 1.00 61.40 H new ATOM 0 HB3 ASP A 62 -36.154 -20.597 -30.309 1.00 61.40 H new ATOM 984 N GLY A 63 -37.330 -17.395 -28.529 1.00 32.24 N ATOM 985 CA GLY A 63 -38.564 -17.266 -27.776 1.00 0.24 C ATOM 986 C GLY A 63 -38.543 -18.064 -26.487 1.00 52.11 C ATOM 987 O GLY A 63 -39.591 -18.466 -25.980 1.00 64.25 O ATOM 0 H GLY A 63 -36.684 -16.611 -28.432 1.00 32.24 H new ATOM 0 HA2 GLY A 63 -38.737 -16.215 -27.546 1.00 0.24 H new ATOM 0 HA3 GLY A 63 -39.399 -17.599 -28.393 1.00 0.24 H new ATOM 991 N VAL A 64 -37.347 -18.296 -25.955 1.00 51.45 N ATOM 992 CA VAL A 64 -37.194 -19.052 -24.718 1.00 41.33 C ATOM 993 C VAL A 64 -36.497 -18.219 -23.648 1.00 52.00 C ATOM 994 O VAL A 64 -35.752 -17.290 -23.959 1.00 21.24 O ATOM 995 CB VAL A 64 -36.393 -20.347 -24.948 1.00 23.03 C ATOM 996 CG1 VAL A 64 -34.900 -20.081 -24.823 1.00 33.21 C ATOM 997 CG2 VAL A 64 -36.834 -21.426 -23.970 1.00 70.04 C ATOM 0 H VAL A 64 -36.470 -17.971 -26.362 1.00 51.45 H new ATOM 0 HA VAL A 64 -38.197 -19.310 -24.378 1.00 41.33 H new ATOM 0 HB VAL A 64 -36.591 -20.702 -25.959 1.00 23.03 H new ATOM 0 HG11 VAL A 64 -34.350 -21.008 -24.989 1.00 33.21 H new ATOM 0 HG12 VAL A 64 -34.599 -19.342 -25.566 1.00 33.21 H new ATOM 0 HG13 VAL A 64 -34.680 -19.702 -23.825 1.00 33.21 H new ATOM 0 HG21 VAL A 64 -36.258 -22.334 -24.146 1.00 70.04 H new ATOM 0 HG22 VAL A 64 -36.666 -21.082 -22.949 1.00 70.04 H new ATOM 0 HG23 VAL A 64 -37.894 -21.635 -24.113 1.00 70.04 H new ATOM 1007 N GLN A 65 -36.745 -18.559 -22.387 1.00 41.22 N ATOM 1008 CA GLN A 65 -36.141 -17.842 -21.271 1.00 0.35 C ATOM 1009 C GLN A 65 -35.182 -18.743 -20.499 1.00 52.15 C ATOM 1010 O GLN A 65 -35.539 -19.853 -20.105 1.00 34.04 O ATOM 1011 CB GLN A 65 -37.226 -17.310 -20.332 1.00 44.32 C ATOM 1012 CG GLN A 65 -36.762 -16.154 -19.460 1.00 31.33 C ATOM 1013 CD GLN A 65 -36.565 -16.559 -18.012 1.00 13.40 C ATOM 1014 OE1 GLN A 65 -37.466 -17.114 -17.382 1.00 53.44 O ATOM 1015 NE2 GLN A 65 -35.383 -16.282 -17.475 1.00 64.13 N ATOM 0 H GLN A 65 -37.359 -19.326 -22.113 1.00 41.22 H new ATOM 0 HA GLN A 65 -35.576 -17.002 -21.675 1.00 0.35 H new ATOM 0 HB2 GLN A 65 -38.081 -16.986 -20.925 1.00 44.32 H new ATOM 0 HB3 GLN A 65 -37.571 -18.122 -19.692 1.00 44.32 H new ATOM 0 HG2 GLN A 65 -35.825 -15.760 -19.854 1.00 31.33 H new ATOM 0 HG3 GLN A 65 -37.494 -15.348 -19.512 1.00 31.33 H new ATOM 0 HE21 GLN A 65 -34.665 -15.821 -18.033 1.00 64.13 H new ATOM 0 HE22 GLN A 65 -35.193 -16.530 -16.504 1.00 64.13 H new ATOM 1024 N PHE A 66 -33.963 -18.258 -20.289 1.00 21.43 N ATOM 1025 CA PHE A 66 -32.952 -19.021 -19.566 1.00 4.11 C ATOM 1026 C PHE A 66 -33.079 -18.804 -18.061 1.00 13.31 C ATOM 1027 O PHE A 66 -32.469 -17.894 -17.499 1.00 1.24 O ATOM 1028 CB PHE A 66 -31.550 -18.621 -20.033 1.00 75.42 C ATOM 1029 CG PHE A 66 -31.332 -18.816 -21.506 1.00 64.43 C ATOM 1030 CD1 PHE A 66 -31.753 -19.977 -22.135 1.00 24.10 C ATOM 1031 CD2 PHE A 66 -30.705 -17.839 -22.262 1.00 53.34 C ATOM 1032 CE1 PHE A 66 -31.552 -20.159 -23.490 1.00 63.22 C ATOM 1033 CE2 PHE A 66 -30.502 -18.015 -23.618 1.00 60.12 C ATOM 1034 CZ PHE A 66 -30.927 -19.177 -24.233 1.00 3.51 C ATOM 0 H PHE A 66 -33.651 -17.341 -20.609 1.00 21.43 H new ATOM 0 HA PHE A 66 -33.111 -20.078 -19.778 1.00 4.11 H new ATOM 0 HB2 PHE A 66 -31.377 -17.574 -19.783 1.00 75.42 H new ATOM 0 HB3 PHE A 66 -30.812 -19.206 -19.484 1.00 75.42 H new ATOM 0 HD1 PHE A 66 -32.244 -20.748 -21.560 1.00 24.10 H new ATOM 0 HD2 PHE A 66 -30.371 -16.929 -21.786 1.00 53.34 H new ATOM 0 HE1 PHE A 66 -31.884 -21.069 -23.968 1.00 63.22 H new ATOM 0 HE2 PHE A 66 -30.012 -17.245 -24.196 1.00 60.12 H new ATOM 0 HZ PHE A 66 -30.771 -19.317 -25.292 1.00 3.51 H new ATOM 1044 N THR A 67 -33.878 -19.646 -17.413 1.00 71.20 N ATOM 1045 CA THR A 67 -34.088 -19.547 -15.974 1.00 54.53 C ATOM 1046 C THR A 67 -32.834 -19.949 -15.206 1.00 55.43 C ATOM 1047 O THR A 67 -32.722 -19.693 -14.008 1.00 44.10 O ATOM 1048 CB THR A 67 -35.263 -20.431 -15.516 1.00 12.13 C ATOM 1049 OG1 THR A 67 -35.062 -21.779 -15.954 1.00 62.11 O ATOM 1050 CG2 THR A 67 -36.582 -19.906 -16.063 1.00 42.23 C ATOM 0 H THR A 67 -34.391 -20.405 -17.862 1.00 71.20 H new ATOM 0 HA THR A 67 -34.323 -18.504 -15.760 1.00 54.53 H new ATOM 0 HB THR A 67 -35.304 -20.405 -14.427 1.00 12.13 H new ATOM 0 HG1 THR A 67 -35.813 -22.335 -15.657 1.00 62.11 H new ATOM 0 HG21 THR A 67 -37.397 -20.547 -15.726 1.00 42.23 H new ATOM 0 HG22 THR A 67 -36.747 -18.890 -15.703 1.00 42.23 H new ATOM 0 HG23 THR A 67 -36.549 -19.904 -17.153 1.00 42.23 H new ATOM 1058 N GLU A 68 -31.895 -20.578 -15.905 1.00 22.44 N ATOM 1059 CA GLU A 68 -30.649 -21.015 -15.286 1.00 64.52 C ATOM 1060 C GLU A 68 -29.665 -19.855 -15.165 1.00 31.00 C ATOM 1061 O GLU A 68 -29.574 -19.009 -16.054 1.00 23.15 O ATOM 1062 CB GLU A 68 -30.020 -22.149 -16.100 1.00 3.51 C ATOM 1063 CG GLU A 68 -30.965 -23.309 -16.359 1.00 31.53 C ATOM 1064 CD GLU A 68 -30.412 -24.299 -17.365 1.00 64.42 C ATOM 1065 OE1 GLU A 68 -30.451 -23.999 -18.577 1.00 31.54 O ATOM 1066 OE2 GLU A 68 -29.938 -25.374 -16.940 1.00 75.45 O ATOM 0 H GLU A 68 -31.973 -20.796 -16.898 1.00 22.44 H new ATOM 0 HA GLU A 68 -30.879 -21.379 -14.285 1.00 64.52 H new ATOM 0 HB2 GLU A 68 -29.676 -21.752 -17.055 1.00 3.51 H new ATOM 0 HB3 GLU A 68 -29.140 -22.519 -15.573 1.00 3.51 H new ATOM 0 HG2 GLU A 68 -31.166 -23.825 -15.420 1.00 31.53 H new ATOM 0 HG3 GLU A 68 -31.918 -22.923 -16.721 1.00 31.53 H new ATOM 1073 N GLY A 69 -28.931 -19.822 -14.057 1.00 21.32 N ATOM 1074 CA GLY A 69 -27.965 -18.762 -13.838 1.00 45.03 C ATOM 1075 C GLY A 69 -26.688 -18.969 -14.628 1.00 64.53 C ATOM 1076 O GLY A 69 -26.553 -19.952 -15.358 1.00 41.03 O ATOM 0 H GLY A 69 -28.988 -20.511 -13.307 1.00 21.32 H new ATOM 0 HA2 GLY A 69 -28.410 -17.806 -14.116 1.00 45.03 H new ATOM 0 HA3 GLY A 69 -27.726 -18.706 -12.776 1.00 45.03 H new ATOM 1080 N CYS A 70 -25.747 -18.042 -14.485 1.00 14.55 N ATOM 1081 CA CYS A 70 -24.475 -18.125 -15.192 1.00 33.13 C ATOM 1082 C CYS A 70 -23.390 -18.707 -14.291 1.00 64.53 C ATOM 1083 O CYS A 70 -22.516 -19.443 -14.752 1.00 3.23 O ATOM 1084 CB CYS A 70 -24.053 -16.741 -15.689 1.00 64.42 C ATOM 1085 SG CYS A 70 -24.798 -16.264 -17.281 1.00 71.04 S ATOM 0 H CYS A 70 -25.842 -17.223 -13.885 1.00 14.55 H new ATOM 0 HA CYS A 70 -24.605 -18.787 -16.048 1.00 33.13 H new ATOM 0 HB2 CYS A 70 -24.322 -15.999 -14.937 1.00 64.42 H new ATOM 0 HB3 CYS A 70 -22.968 -16.717 -15.786 1.00 64.42 H new ATOM 1090 N ILE A 71 -23.452 -18.374 -13.007 1.00 13.32 N ATOM 1091 CA ILE A 71 -22.476 -18.864 -12.042 1.00 60.40 C ATOM 1092 C ILE A 71 -22.503 -20.387 -11.959 1.00 4.21 C ATOM 1093 O ILE A 71 -21.470 -21.027 -11.759 1.00 32.24 O ATOM 1094 CB ILE A 71 -22.728 -18.280 -10.639 1.00 60.54 C ATOM 1095 CG1 ILE A 71 -22.654 -16.753 -10.678 1.00 43.33 C ATOM 1096 CG2 ILE A 71 -21.722 -18.840 -9.644 1.00 54.02 C ATOM 1097 CD1 ILE A 71 -23.381 -16.083 -9.534 1.00 32.04 C ATOM 0 H ILE A 71 -24.169 -17.766 -12.610 1.00 13.32 H new ATOM 0 HA ILE A 71 -21.496 -18.538 -12.391 1.00 60.40 H new ATOM 0 HB ILE A 71 -23.728 -18.568 -10.315 1.00 60.54 H new ATOM 0 HG12 ILE A 71 -21.608 -16.448 -10.661 1.00 43.33 H new ATOM 0 HG13 ILE A 71 -23.074 -16.401 -11.620 1.00 43.33 H new ATOM 0 HG21 ILE A 71 -21.913 -18.418 -8.657 1.00 54.02 H new ATOM 0 HG22 ILE A 71 -21.819 -19.925 -9.600 1.00 54.02 H new ATOM 0 HG23 ILE A 71 -20.712 -18.579 -9.961 1.00 54.02 H new ATOM 0 HD11 ILE A 71 -23.286 -15.001 -9.626 1.00 32.04 H new ATOM 0 HD12 ILE A 71 -24.435 -16.359 -9.562 1.00 32.04 H new ATOM 0 HD13 ILE A 71 -22.946 -16.406 -8.588 1.00 32.04 H new ATOM 1109 N LYS A 72 -23.690 -20.962 -12.116 1.00 12.32 N ATOM 1110 CA LYS A 72 -23.853 -22.410 -12.062 1.00 1.30 C ATOM 1111 C LYS A 72 -23.548 -23.042 -13.416 1.00 71.21 C ATOM 1112 O LYS A 72 -22.999 -24.142 -13.490 1.00 53.21 O ATOM 1113 CB LYS A 72 -25.276 -22.768 -11.629 1.00 13.23 C ATOM 1114 CG LYS A 72 -25.510 -22.630 -10.134 1.00 51.23 C ATOM 1115 CD LYS A 72 -26.992 -22.639 -9.798 1.00 60.44 C ATOM 1116 CE LYS A 72 -27.237 -23.099 -8.369 1.00 44.32 C ATOM 1117 NZ LYS A 72 -28.669 -22.971 -7.983 1.00 11.51 N ATOM 0 H LYS A 72 -24.555 -20.447 -12.282 1.00 12.32 H new ATOM 0 HA LYS A 72 -23.148 -22.803 -11.330 1.00 1.30 H new ATOM 0 HB2 LYS A 72 -25.980 -22.127 -12.159 1.00 13.23 H new ATOM 0 HB3 LYS A 72 -25.491 -23.794 -11.929 1.00 13.23 H new ATOM 0 HG2 LYS A 72 -25.012 -23.446 -9.610 1.00 51.23 H new ATOM 0 HG3 LYS A 72 -25.061 -21.702 -9.779 1.00 51.23 H new ATOM 0 HD2 LYS A 72 -27.403 -21.639 -9.935 1.00 60.44 H new ATOM 0 HD3 LYS A 72 -27.519 -23.298 -10.489 1.00 60.44 H new ATOM 0 HE2 LYS A 72 -26.924 -24.138 -8.263 1.00 44.32 H new ATOM 0 HE3 LYS A 72 -26.623 -22.510 -7.688 1.00 44.32 H new ATOM 0 HZ1 LYS A 72 -28.795 -23.294 -7.003 1.00 11.51 H new ATOM 0 HZ2 LYS A 72 -28.962 -21.976 -8.059 1.00 11.51 H new ATOM 0 HZ3 LYS A 72 -29.253 -23.553 -8.617 1.00 11.51 H new ATOM 1131 N LYS A 73 -23.906 -22.340 -14.486 1.00 33.21 N ATOM 1132 CA LYS A 73 -23.669 -22.831 -15.838 1.00 41.13 C ATOM 1133 C LYS A 73 -22.177 -22.852 -16.155 1.00 71.14 C ATOM 1134 O LYS A 73 -21.639 -23.870 -16.591 1.00 31.34 O ATOM 1135 CB LYS A 73 -24.405 -21.957 -16.856 1.00 72.34 C ATOM 1136 CG LYS A 73 -25.828 -22.413 -17.133 1.00 3.44 C ATOM 1137 CD LYS A 73 -25.902 -23.288 -18.373 1.00 13.34 C ATOM 1138 CE LYS A 73 -25.777 -24.762 -18.022 1.00 62.52 C ATOM 1139 NZ LYS A 73 -26.261 -25.638 -19.125 1.00 41.25 N ATOM 0 H LYS A 73 -24.362 -21.428 -14.443 1.00 33.21 H new ATOM 0 HA LYS A 73 -24.050 -23.850 -15.900 1.00 41.13 H new ATOM 0 HB2 LYS A 73 -24.426 -20.930 -16.493 1.00 72.34 H new ATOM 0 HB3 LYS A 73 -23.845 -21.953 -17.791 1.00 72.34 H new ATOM 0 HG2 LYS A 73 -26.208 -22.966 -16.274 1.00 3.44 H new ATOM 0 HG3 LYS A 73 -26.471 -21.543 -17.262 1.00 3.44 H new ATOM 0 HD2 LYS A 73 -26.847 -23.114 -18.887 1.00 13.34 H new ATOM 0 HD3 LYS A 73 -25.107 -23.009 -19.065 1.00 13.34 H new ATOM 0 HE2 LYS A 73 -24.735 -24.996 -17.803 1.00 62.52 H new ATOM 0 HE3 LYS A 73 -26.347 -24.969 -17.117 1.00 62.52 H new ATOM 0 HZ1 LYS A 73 -26.159 -26.635 -18.847 1.00 41.25 H new ATOM 0 HZ2 LYS A 73 -27.262 -25.433 -19.317 1.00 41.25 H new ATOM 0 HZ3 LYS A 73 -25.700 -25.459 -19.982 1.00 41.25 H new ATOM 1153 N VAL A 74 -21.513 -21.722 -15.933 1.00 73.12 N ATOM 1154 CA VAL A 74 -20.083 -21.612 -16.193 1.00 2.02 C ATOM 1155 C VAL A 74 -19.303 -22.680 -15.434 1.00 2.41 C ATOM 1156 O VAL A 74 -18.248 -23.129 -15.883 1.00 35.44 O ATOM 1157 CB VAL A 74 -19.546 -20.223 -15.799 1.00 52.14 C ATOM 1158 CG1 VAL A 74 -18.046 -20.142 -16.040 1.00 14.21 C ATOM 1159 CG2 VAL A 74 -20.277 -19.133 -16.568 1.00 14.51 C ATOM 0 H VAL A 74 -21.943 -20.870 -15.574 1.00 73.12 H new ATOM 0 HA VAL A 74 -19.944 -21.757 -17.264 1.00 2.02 H new ATOM 0 HB VAL A 74 -19.727 -20.070 -14.735 1.00 52.14 H new ATOM 0 HG11 VAL A 74 -17.685 -19.154 -15.756 1.00 14.21 H new ATOM 0 HG12 VAL A 74 -17.540 -20.899 -15.441 1.00 14.21 H new ATOM 0 HG13 VAL A 74 -17.837 -20.315 -17.096 1.00 14.21 H new ATOM 0 HG21 VAL A 74 -19.886 -18.158 -16.278 1.00 14.51 H new ATOM 0 HG22 VAL A 74 -20.128 -19.280 -17.638 1.00 14.51 H new ATOM 0 HG23 VAL A 74 -21.342 -19.179 -16.340 1.00 14.51 H new ATOM 1169 N SER A 75 -19.829 -23.082 -14.281 1.00 44.32 N ATOM 1170 CA SER A 75 -19.180 -24.095 -13.457 1.00 41.12 C ATOM 1171 C SER A 75 -19.162 -25.444 -14.169 1.00 71.21 C ATOM 1172 O SER A 75 -18.219 -26.223 -14.024 1.00 14.31 O ATOM 1173 CB SER A 75 -19.897 -24.225 -12.112 1.00 52.41 C ATOM 1174 OG SER A 75 -19.310 -25.240 -11.317 1.00 11.11 O ATOM 0 H SER A 75 -20.702 -22.722 -13.897 1.00 44.32 H new ATOM 0 HA SER A 75 -18.151 -23.782 -13.283 1.00 41.12 H new ATOM 0 HB2 SER A 75 -19.856 -23.274 -11.581 1.00 52.41 H new ATOM 0 HB3 SER A 75 -20.950 -24.452 -12.278 1.00 52.41 H new ATOM 0 HG SER A 75 -19.785 -25.302 -10.462 1.00 11.11 H new ATOM 1180 N ASP A 76 -20.211 -25.714 -14.939 1.00 1.35 N ATOM 1181 CA ASP A 76 -20.317 -26.968 -15.675 1.00 21.13 C ATOM 1182 C ASP A 76 -19.138 -27.140 -16.628 1.00 55.00 C ATOM 1183 O ASP A 76 -18.441 -28.155 -16.594 1.00 13.12 O ATOM 1184 CB ASP A 76 -21.631 -27.017 -16.455 1.00 15.30 C ATOM 1185 CG ASP A 76 -21.814 -28.324 -17.200 1.00 72.15 C ATOM 1186 OD1 ASP A 76 -21.950 -29.372 -16.535 1.00 65.03 O ATOM 1187 OD2 ASP A 76 -21.821 -28.299 -18.449 1.00 70.53 O ATOM 0 H ASP A 76 -21.000 -25.081 -15.069 1.00 1.35 H new ATOM 0 HA ASP A 76 -20.301 -27.786 -14.955 1.00 21.13 H new ATOM 0 HB2 ASP A 76 -22.464 -26.875 -15.767 1.00 15.30 H new ATOM 0 HB3 ASP A 76 -21.660 -26.190 -17.165 1.00 15.30 H new ATOM 1192 N LEU A 77 -18.922 -26.143 -17.479 1.00 11.24 N ATOM 1193 CA LEU A 77 -17.828 -26.184 -18.443 1.00 13.40 C ATOM 1194 C LEU A 77 -16.492 -25.907 -17.762 1.00 65.32 C ATOM 1195 O LEU A 77 -15.449 -26.393 -18.200 1.00 45.42 O ATOM 1196 CB LEU A 77 -18.066 -25.163 -19.557 1.00 75.24 C ATOM 1197 CG LEU A 77 -17.714 -23.713 -19.226 1.00 11.30 C ATOM 1198 CD1 LEU A 77 -16.274 -23.411 -19.613 1.00 34.45 C ATOM 1199 CD2 LEU A 77 -18.668 -22.758 -19.929 1.00 60.01 C ATOM 0 H LEU A 77 -19.490 -25.297 -17.521 1.00 11.24 H new ATOM 0 HA LEU A 77 -17.794 -27.184 -18.875 1.00 13.40 H new ATOM 0 HB2 LEU A 77 -17.487 -25.466 -20.430 1.00 75.24 H new ATOM 0 HB3 LEU A 77 -19.117 -25.205 -19.842 1.00 75.24 H new ATOM 0 HG LEU A 77 -17.817 -23.571 -18.150 1.00 11.30 H new ATOM 0 HD11 LEU A 77 -16.042 -22.374 -19.370 1.00 34.45 H new ATOM 0 HD12 LEU A 77 -15.603 -24.072 -19.063 1.00 34.45 H new ATOM 0 HD13 LEU A 77 -16.144 -23.571 -20.683 1.00 34.45 H new ATOM 0 HD21 LEU A 77 -18.402 -21.730 -19.682 1.00 60.01 H new ATOM 0 HD22 LEU A 77 -18.598 -22.902 -21.007 1.00 60.01 H new ATOM 0 HD23 LEU A 77 -19.689 -22.957 -19.602 1.00 60.01 H new ATOM 1211 N SER A 78 -16.531 -25.126 -16.687 1.00 61.34 N ATOM 1212 CA SER A 78 -15.322 -24.784 -15.946 1.00 74.15 C ATOM 1213 C SER A 78 -14.613 -26.042 -15.454 1.00 42.30 C ATOM 1214 O SER A 78 -13.390 -26.156 -15.546 1.00 53.23 O ATOM 1215 CB SER A 78 -15.665 -23.880 -14.760 1.00 63.35 C ATOM 1216 OG SER A 78 -14.525 -23.646 -13.952 1.00 64.11 O ATOM 0 H SER A 78 -17.386 -24.718 -16.310 1.00 61.34 H new ATOM 0 HA SER A 78 -14.651 -24.250 -16.619 1.00 74.15 H new ATOM 0 HB2 SER A 78 -16.058 -22.931 -15.124 1.00 63.35 H new ATOM 0 HB3 SER A 78 -16.450 -24.342 -14.162 1.00 63.35 H new ATOM 0 HG SER A 78 -14.769 -23.065 -13.202 1.00 64.11 H new ATOM 1222 N LYS A 79 -15.389 -26.984 -14.930 1.00 62.40 N ATOM 1223 CA LYS A 79 -14.838 -28.235 -14.423 1.00 65.52 C ATOM 1224 C LYS A 79 -14.559 -29.209 -15.564 1.00 34.21 C ATOM 1225 O LYS A 79 -13.673 -30.057 -15.466 1.00 62.04 O ATOM 1226 CB LYS A 79 -15.801 -28.872 -13.419 1.00 54.40 C ATOM 1227 CG LYS A 79 -17.108 -29.334 -14.040 1.00 33.15 C ATOM 1228 CD LYS A 79 -17.898 -30.214 -13.085 1.00 62.53 C ATOM 1229 CE LYS A 79 -18.559 -29.394 -11.988 1.00 63.40 C ATOM 1230 NZ LYS A 79 -19.388 -30.241 -11.086 1.00 52.22 N ATOM 0 H LYS A 79 -16.402 -26.905 -14.845 1.00 62.40 H new ATOM 0 HA LYS A 79 -13.897 -28.011 -13.921 1.00 65.52 H new ATOM 0 HB2 LYS A 79 -15.311 -29.724 -12.948 1.00 54.40 H new ATOM 0 HB3 LYS A 79 -16.018 -28.153 -12.629 1.00 54.40 H new ATOM 0 HG2 LYS A 79 -17.707 -28.467 -14.317 1.00 33.15 H new ATOM 0 HG3 LYS A 79 -16.901 -29.885 -14.958 1.00 33.15 H new ATOM 0 HD2 LYS A 79 -18.659 -30.762 -13.640 1.00 62.53 H new ATOM 0 HD3 LYS A 79 -17.235 -30.954 -12.638 1.00 62.53 H new ATOM 0 HE2 LYS A 79 -17.793 -28.884 -11.404 1.00 63.40 H new ATOM 0 HE3 LYS A 79 -19.184 -28.622 -12.438 1.00 63.40 H new ATOM 0 HZ1 LYS A 79 -19.822 -29.645 -10.352 1.00 52.22 H new ATOM 0 HZ2 LYS A 79 -20.135 -30.709 -11.638 1.00 52.22 H new ATOM 0 HZ3 LYS A 79 -18.787 -30.961 -10.637 1.00 52.22 H new ATOM 1244 N ALA A 80 -15.322 -29.081 -16.645 1.00 2.52 N ATOM 1245 CA ALA A 80 -15.155 -29.947 -17.805 1.00 44.21 C ATOM 1246 C ALA A 80 -13.761 -29.797 -18.406 1.00 11.11 C ATOM 1247 O ALA A 80 -13.295 -28.683 -18.647 1.00 65.01 O ATOM 1248 CB ALA A 80 -16.218 -29.641 -18.850 1.00 4.32 C ATOM 0 H ALA A 80 -16.062 -28.386 -16.741 1.00 2.52 H new ATOM 0 HA ALA A 80 -15.271 -30.980 -17.476 1.00 44.21 H new ATOM 0 HB1 ALA A 80 -16.081 -30.295 -19.711 1.00 4.32 H new ATOM 0 HB2 ALA A 80 -17.207 -29.806 -18.422 1.00 4.32 H new ATOM 0 HB3 ALA A 80 -16.129 -28.602 -19.166 1.00 4.32 H new ATOM 1254 N HIS A 81 -13.100 -30.925 -18.645 1.00 32.21 N ATOM 1255 CA HIS A 81 -11.759 -30.919 -19.218 1.00 2.23 C ATOM 1256 C HIS A 81 -11.361 -32.316 -19.684 1.00 44.22 C ATOM 1257 O HIS A 81 -11.900 -33.316 -19.210 1.00 74.02 O ATOM 1258 CB HIS A 81 -10.747 -30.402 -18.195 1.00 22.35 C ATOM 1259 CG HIS A 81 -9.559 -29.732 -18.813 1.00 25.41 C ATOM 1260 ND1 HIS A 81 -9.185 -28.438 -18.517 1.00 34.42 N ATOM 1261 CD2 HIS A 81 -8.657 -30.186 -19.715 1.00 4.52 C ATOM 1262 CE1 HIS A 81 -8.106 -28.124 -19.211 1.00 54.11 C ATOM 1263 NE2 HIS A 81 -7.765 -29.167 -19.946 1.00 21.12 N ATOM 0 H HIS A 81 -13.471 -31.855 -18.451 1.00 32.21 H new ATOM 0 HA HIS A 81 -11.763 -30.255 -20.082 1.00 2.23 H new ATOM 0 HB2 HIS A 81 -11.245 -29.698 -17.528 1.00 22.35 H new ATOM 0 HB3 HIS A 81 -10.405 -31.235 -17.581 1.00 22.35 H new ATOM 0 HD2 HIS A 81 -8.642 -31.166 -20.168 1.00 4.52 H new ATOM 0 HE1 HIS A 81 -7.590 -27.176 -19.182 1.00 54.11 H new ATOM 0 HE2 HIS A 81 -6.969 -29.209 -20.582 1.00 21.12 H new TER 1272 HIS A 81