USER MOD reduce.3.24.130724 H: found=0, std=0, add=1316, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1316 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 66 GLN : amide:sc= -0.211 X(o=-0.21,f=0.00021) USER MOD Set 1.2: B 59 ASN : amide:sc= 0.00239 X(o=-0.21,f=0.00021) USER MOD Set 2.1: B 47 THR OG1 : rot -87:sc= 1.25 USER MOD Set 2.2: B 48 SER OG : rot 82:sc= 0.438 USER MOD Set 3.1: A 68 SER OG : rot -71:sc= 1.2 USER MOD Set 3.2: B 42 THR OG1 : rot 75:sc= 0.628 USER MOD Set 4.1: A 47 THR OG1 : rot -87:sc= 1.33 USER MOD Set 4.2: A 48 SER OG : rot 85:sc= 1.24 USER MOD Set 4.3: B 30 THR OG1 : rot -121:sc= 0.538 USER MOD Set 5.1: A 59 ASN : amide:sc= 1.7 K(o=1.7,f=0.34) USER MOD Set 5.2: B 66 GLN : amide:sc= -0.0121 K(o=1.7,f=0.34) USER MOD Set 6.1: A 39 ASN : amide:sc= -2.59! C(o=-2.8!,f=-5.3!) USER MOD Set 6.2: A 43 ASN : amide:sc= -0.257 K(o=-2.8,f=-3.5) USER MOD Set 7.1: A 26 HIS : no HD1:sc= -1.67 K(o=-2.8,f=-5.3!) USER MOD Set 7.2: B 11 GLN : amide:sc= -1.15 K(o=-2.8,f=-5.1) USER MOD Set 8.1: A 11 GLN : amide:sc= -0.192 K(o=0.25,f=-2.2!) USER MOD Set 8.2: B 26 HIS : +bothHN:sc= 0.447 K(o=0.25,f=-13!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0 (180deg=-0.0752) USER MOD Single : A 3 GLN : amide:sc= -0.0974 K(o=-0.097,f=-0.73) USER MOD Single : A 5 SER OG : rot 85:sc= 0.755 USER MOD Single : A 7 TYR OH : rot 180:sc= -0.498 USER MOD Single : A 8 SER OG : rot 180:sc= 0.00243 USER MOD Single : A 14 GLN : amide:sc= -1.07 K(o=-1.1,f=-5.8!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0176 USER MOD Single : A 33 SER OG : rot 80:sc= 0.112 USER MOD Single : A 35 MET CE :methyl -172:sc= -1.17 (180deg=-1.34) USER MOD Single : A 40 MET CE :methyl -156:sc= 0 (180deg=-0.695) USER MOD Single : A 42 THR OG1 : rot 78:sc= 1.26 USER MOD Single : A 46 ASN : amide:sc= -0.467 K(o=-0.47,f=-2.9) USER MOD Single : A 53 GLN : amide:sc= -1.41 K(o=-1.4,f=-2.8!) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 60 SER OG : rot -5:sc= 1.12 USER MOD Single : A 67 SER OG : rot 62:sc= 1.28 USER MOD Single : A 70 ASN :FLIP amide:sc= -0.101 F(o=-1.6!,f=-0.1) USER MOD Single : A 73 LYS NZ :NH3+ -169:sc= -0.0124 (180deg=-0.16) USER MOD Single : A 75 HIS : no HE2:sc= 0.627 K(o=0.63,f=-4.6!) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 HIS : no HD1:sc=-0.00627 X(o=-0.0063,f=0) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HE2:sc=-0.00819 X(o=-0.0082,f=-0.32) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -171:sc= 0 (180deg=-0.0881) USER MOD Single : B 3 GLN : amide:sc=-0.00304 K(o=-0.003,f=-1) USER MOD Single : B 5 SER OG : rot 71:sc= 1.32 USER MOD Single : B 7 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 SER OG : rot 180:sc= 0 USER MOD Single : B 14 GLN :FLIP amide:sc= -0.0209 F(o=-1.1,f=-0.021) USER MOD Single : B 21 ASN :FLIP amide:sc= -0.628 F(o=-1.4!,f=-0.63) USER MOD Single : B 25 LYS NZ :NH3+ -143:sc= -0.099 (180deg=-1.82!) USER MOD Single : B 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 SER OG : rot 180:sc=-0.00872 USER MOD Single : B 35 MET CE :methyl 142:sc= -0.167 (180deg=-1.1) USER MOD Single : B 39 ASN : amide:sc= -0.355 X(o=-0.35,f=0) USER MOD Single : B 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 43 ASN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : B 46 ASN :FLIP amide:sc= -0.368 F(o=-1.1!,f=-0.37) USER MOD Single : B 53 GLN : amide:sc= -1.25! C(o=-1.3!,f=-5.1!) USER MOD Single : B 55 GLN :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD Single : B 60 SER OG : rot 18:sc= 1.01 USER MOD Single : B 67 SER OG : rot 5:sc= 1.11 USER MOD Single : B 68 SER OG : rot 180:sc= -0.889 USER MOD Single : B 70 ASN : amide:sc= -0.379 K(o=-0.38,f=-6.7!) USER MOD Single : B 73 LYS NZ :NH3+ 161:sc= -0.0406 (180deg=-0.346) USER MOD Single : B 75 HIS : no HE2:sc= 0.629 K(o=0.63,f=-2.1!) USER MOD Single : B 78 HIS : no HD1:sc= -0.248 X(o=-0.25,f=-0.0013) USER MOD Single : B 79 HIS : no HD1:sc= -0.145 X(o=-0.15,f=-0.21) USER MOD Single : B 80 HIS : no HD1:sc= -0.0999 X(o=-0.1,f=-0.0028) USER MOD Single : B 81 HIS :FLIP no HE2:sc= -0.3 F(o=-1.7!,f=-0.3) USER MOD Single : B 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.524 2.944 11.022 1.00 0.00 N ATOM 2 CA MET A 1 -16.318 2.672 11.834 1.00 0.00 C ATOM 3 C MET A 1 -15.992 1.185 11.823 1.00 0.00 C ATOM 4 O MET A 1 -16.583 0.409 12.574 1.00 0.00 O ATOM 5 CB MET A 1 -16.521 3.142 13.280 1.00 0.00 C ATOM 6 CG MET A 1 -16.687 4.645 13.427 1.00 0.00 C ATOM 7 SD MET A 1 -16.917 5.155 15.142 1.00 0.00 S ATOM 8 CE MET A 1 -17.040 6.931 14.944 1.00 0.00 C ATOM 0 H1 MET A 1 -17.645 3.971 10.914 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.417 2.507 10.084 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.359 2.545 11.496 1.00 0.00 H new ATOM 0 HA MET A 1 -15.486 3.224 11.396 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.402 2.648 13.691 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.668 2.821 13.878 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.809 5.145 13.018 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.544 4.971 12.837 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.185 7.397 15.919 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.123 7.311 14.493 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.887 7.167 14.299 1.00 0.00 H new ATOM 20 N PRO A 2 -15.068 0.757 10.947 1.00 0.00 N ATOM 21 CA PRO A 2 -14.627 -0.638 10.886 1.00 0.00 C ATOM 22 C PRO A 2 -13.879 -1.036 12.153 1.00 0.00 C ATOM 23 O PRO A 2 -14.028 -2.148 12.658 1.00 0.00 O ATOM 24 CB PRO A 2 -13.685 -0.681 9.674 1.00 0.00 C ATOM 25 CG PRO A 2 -13.937 0.584 8.924 1.00 0.00 C ATOM 26 CD PRO A 2 -14.394 1.591 9.940 1.00 0.00 C ATOM 0 HA PRO A 2 -15.465 -1.330 10.799 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -12.644 -0.749 9.989 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -13.887 -1.553 9.051 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -13.033 0.924 8.419 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -14.695 0.436 8.155 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -13.557 2.143 10.367 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -15.071 2.326 9.505 1.00 0.00 H new ATOM 34 N GLN A 3 -13.090 -0.103 12.666 1.00 0.00 N ATOM 35 CA GLN A 3 -12.322 -0.321 13.878 1.00 0.00 C ATOM 36 C GLN A 3 -12.291 0.963 14.692 1.00 0.00 C ATOM 37 O GLN A 3 -12.025 2.038 14.154 1.00 0.00 O ATOM 38 CB GLN A 3 -10.897 -0.767 13.535 1.00 0.00 C ATOM 39 CG GLN A 3 -10.044 -1.098 14.752 1.00 0.00 C ATOM 40 CD GLN A 3 -10.603 -2.252 15.564 1.00 0.00 C ATOM 41 OE1 GLN A 3 -11.255 -3.148 15.031 1.00 0.00 O ATOM 42 NE2 GLN A 3 -10.340 -2.243 16.860 1.00 0.00 N ATOM 0 H GLN A 3 -12.966 0.822 12.254 1.00 0.00 H new ATOM 0 HA GLN A 3 -12.794 -1.109 14.465 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -10.947 -1.644 12.889 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -10.407 0.022 12.964 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -9.034 -1.345 14.426 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -9.967 -0.216 15.387 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -9.795 -1.481 17.265 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -10.682 -2.998 17.455 1.00 0.00 H new ATOM 51 N ILE A 4 -12.585 0.855 15.978 1.00 0.00 N ATOM 52 CA ILE A 4 -12.571 2.013 16.857 1.00 0.00 C ATOM 53 C ILE A 4 -11.143 2.364 17.268 1.00 0.00 C ATOM 54 O ILE A 4 -10.642 1.923 18.303 1.00 0.00 O ATOM 55 CB ILE A 4 -13.462 1.834 18.119 1.00 0.00 C ATOM 56 CG1 ILE A 4 -13.158 0.524 18.878 1.00 0.00 C ATOM 57 CG2 ILE A 4 -14.935 1.902 17.738 1.00 0.00 C ATOM 58 CD1 ILE A 4 -13.717 -0.734 18.236 1.00 0.00 C ATOM 0 H ILE A 4 -12.836 -0.021 16.436 1.00 0.00 H new ATOM 0 HA ILE A 4 -12.997 2.836 16.282 1.00 0.00 H new ATOM 0 HB ILE A 4 -13.227 2.654 18.798 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -12.077 0.417 18.970 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -13.557 0.606 19.889 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -15.548 1.775 18.630 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -15.149 2.870 17.285 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -15.163 1.109 17.025 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -13.452 -1.600 18.842 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -14.802 -0.657 18.169 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -13.299 -0.849 17.236 1.00 0.00 H new ATOM 70 N SER A 5 -10.474 3.128 16.420 1.00 0.00 N ATOM 71 CA SER A 5 -9.107 3.547 16.677 1.00 0.00 C ATOM 72 C SER A 5 -9.059 4.586 17.792 1.00 0.00 C ATOM 73 O SER A 5 -10.073 5.205 18.124 1.00 0.00 O ATOM 74 CB SER A 5 -8.495 4.106 15.392 1.00 0.00 C ATOM 75 OG SER A 5 -9.390 5.002 14.752 1.00 0.00 O ATOM 0 H SER A 5 -10.860 3.473 15.541 1.00 0.00 H new ATOM 0 HA SER A 5 -8.527 2.683 17.003 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.562 4.621 15.623 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.249 3.287 14.716 1.00 0.00 H new ATOM 0 HG SER A 5 -9.287 5.898 15.137 1.00 0.00 H new ATOM 81 N ARG A 6 -7.882 4.770 18.371 1.00 0.00 N ATOM 82 CA ARG A 6 -7.697 5.772 19.405 1.00 0.00 C ATOM 83 C ARG A 6 -7.644 7.151 18.774 1.00 0.00 C ATOM 84 O ARG A 6 -8.159 8.123 19.326 1.00 0.00 O ATOM 85 CB ARG A 6 -6.429 5.488 20.211 1.00 0.00 C ATOM 86 CG ARG A 6 -6.061 6.599 21.178 1.00 0.00 C ATOM 87 CD ARG A 6 -5.187 6.084 22.305 1.00 0.00 C ATOM 88 NE ARG A 6 -5.901 5.122 23.141 1.00 0.00 N ATOM 89 CZ ARG A 6 -6.659 5.465 24.180 1.00 0.00 C ATOM 90 NH1 ARG A 6 -6.768 6.739 24.532 1.00 0.00 N ATOM 91 NH2 ARG A 6 -7.307 4.534 24.866 1.00 0.00 N ATOM 0 H ARG A 6 -7.042 4.238 18.141 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.541 5.734 20.094 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.564 4.562 20.769 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.599 5.328 19.522 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -5.538 7.391 20.642 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.968 7.039 21.591 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -4.295 5.615 21.890 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.851 6.921 22.917 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.814 4.131 22.916 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.271 7.458 24.006 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -7.349 7.000 25.328 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -7.225 3.553 24.598 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -7.887 4.798 25.662 1.00 0.00 H new ATOM 105 N TYR A 7 -7.019 7.226 17.610 1.00 0.00 N ATOM 106 CA TYR A 7 -7.037 8.446 16.829 1.00 0.00 C ATOM 107 C TYR A 7 -8.428 8.649 16.251 1.00 0.00 C ATOM 108 O TYR A 7 -9.078 7.687 15.831 1.00 0.00 O ATOM 109 CB TYR A 7 -5.987 8.405 15.716 1.00 0.00 C ATOM 110 CG TYR A 7 -4.568 8.486 16.232 1.00 0.00 C ATOM 111 CD1 TYR A 7 -4.042 9.695 16.671 1.00 0.00 C ATOM 112 CD2 TYR A 7 -3.761 7.358 16.290 1.00 0.00 C ATOM 113 CE1 TYR A 7 -2.750 9.778 17.148 1.00 0.00 C ATOM 114 CE2 TYR A 7 -2.467 7.433 16.769 1.00 0.00 C ATOM 115 CZ TYR A 7 -1.968 8.646 17.198 1.00 0.00 C ATOM 116 OH TYR A 7 -0.681 8.728 17.679 1.00 0.00 O ATOM 0 H TYR A 7 -6.496 6.458 17.189 1.00 0.00 H new ATOM 0 HA TYR A 7 -6.789 9.286 17.478 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -6.107 7.484 15.146 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -6.164 9.231 15.028 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -4.654 10.584 16.638 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -4.150 6.408 15.956 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -2.354 10.726 17.480 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -1.850 6.548 16.807 1.00 0.00 H new ATOM 0 HH TYR A 7 -0.263 7.842 17.649 1.00 0.00 H new ATOM 126 N SER A 8 -8.877 9.895 16.250 1.00 0.00 N ATOM 127 CA SER A 8 -10.231 10.230 15.848 1.00 0.00 C ATOM 128 C SER A 8 -10.542 9.740 14.437 1.00 0.00 C ATOM 129 O SER A 8 -9.734 9.893 13.514 1.00 0.00 O ATOM 130 CB SER A 8 -10.429 11.742 15.940 1.00 0.00 C ATOM 131 OG SER A 8 -9.363 12.429 15.301 1.00 0.00 O ATOM 0 H SER A 8 -8.314 10.699 16.527 1.00 0.00 H new ATOM 0 HA SER A 8 -10.921 9.726 16.525 1.00 0.00 H new ATOM 0 HB2 SER A 8 -11.376 12.018 15.476 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.487 12.043 16.986 1.00 0.00 H new ATOM 0 HG SER A 8 -9.509 13.396 15.369 1.00 0.00 H new ATOM 137 N ASP A 9 -11.723 9.152 14.282 1.00 0.00 N ATOM 138 CA ASP A 9 -12.202 8.714 12.975 1.00 0.00 C ATOM 139 C ASP A 9 -12.284 9.910 12.038 1.00 0.00 C ATOM 140 O ASP A 9 -12.125 9.780 10.827 1.00 0.00 O ATOM 141 CB ASP A 9 -13.574 8.041 13.105 1.00 0.00 C ATOM 142 CG ASP A 9 -14.149 7.604 11.770 1.00 0.00 C ATOM 143 OD1 ASP A 9 -14.854 8.412 11.131 1.00 0.00 O ATOM 144 OD2 ASP A 9 -13.918 6.444 11.360 1.00 0.00 O ATOM 0 H ASP A 9 -12.369 8.967 15.049 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.503 7.985 12.564 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -13.486 7.173 13.758 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -14.268 8.732 13.584 1.00 0.00 H new ATOM 149 N GLU A 10 -12.509 11.081 12.633 1.00 0.00 N ATOM 150 CA GLU A 10 -12.514 12.346 11.908 1.00 0.00 C ATOM 151 C GLU A 10 -11.226 12.510 11.112 1.00 0.00 C ATOM 152 O GLU A 10 -11.252 12.773 9.913 1.00 0.00 O ATOM 153 CB GLU A 10 -12.640 13.515 12.888 1.00 0.00 C ATOM 154 CG GLU A 10 -13.822 13.408 13.834 1.00 0.00 C ATOM 155 CD GLU A 10 -13.864 14.549 14.826 1.00 0.00 C ATOM 156 OE1 GLU A 10 -14.474 15.594 14.513 1.00 0.00 O ATOM 157 OE2 GLU A 10 -13.280 14.412 15.922 1.00 0.00 O ATOM 0 H GLU A 10 -12.693 11.177 13.632 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.364 12.342 11.226 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.724 13.583 13.475 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.725 14.442 12.321 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -14.747 13.396 13.257 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.770 12.462 14.373 1.00 0.00 H new ATOM 164 N GLN A 11 -10.102 12.329 11.795 1.00 0.00 N ATOM 165 CA GLN A 11 -8.790 12.512 11.191 1.00 0.00 C ATOM 166 C GLN A 11 -8.505 11.395 10.189 1.00 0.00 C ATOM 167 O GLN A 11 -7.954 11.638 9.114 1.00 0.00 O ATOM 168 CB GLN A 11 -7.718 12.535 12.285 1.00 0.00 C ATOM 169 CG GLN A 11 -6.366 13.054 11.820 1.00 0.00 C ATOM 170 CD GLN A 11 -6.399 14.519 11.413 1.00 0.00 C ATOM 171 OE1 GLN A 11 -5.640 14.947 10.546 1.00 0.00 O ATOM 172 NE2 GLN A 11 -7.269 15.301 12.037 1.00 0.00 N ATOM 0 H GLN A 11 -10.075 12.053 12.777 1.00 0.00 H new ATOM 0 HA GLN A 11 -8.773 13.462 10.657 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -8.069 13.155 13.110 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -7.592 11.526 12.677 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.638 12.921 12.620 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -6.024 12.456 10.975 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.884 14.911 12.752 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.324 16.292 11.802 1.00 0.00 H new ATOM 181 N VAL A 12 -8.897 10.177 10.550 1.00 0.00 N ATOM 182 CA VAL A 12 -8.709 9.013 9.688 1.00 0.00 C ATOM 183 C VAL A 12 -9.472 9.180 8.376 1.00 0.00 C ATOM 184 O VAL A 12 -8.905 9.040 7.289 1.00 0.00 O ATOM 185 CB VAL A 12 -9.176 7.718 10.395 1.00 0.00 C ATOM 186 CG1 VAL A 12 -9.054 6.513 9.472 1.00 0.00 C ATOM 187 CG2 VAL A 12 -8.381 7.493 11.674 1.00 0.00 C ATOM 0 H VAL A 12 -9.350 9.969 11.440 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.643 8.933 9.473 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.228 7.837 10.654 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.389 5.618 9.996 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.672 6.668 8.587 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.014 6.389 9.171 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.722 6.578 12.158 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.322 7.403 11.433 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.529 8.337 12.348 1.00 0.00 H new ATOM 197 N GLU A 13 -10.756 9.497 8.493 1.00 0.00 N ATOM 198 CA GLU A 13 -11.619 9.701 7.338 1.00 0.00 C ATOM 199 C GLU A 13 -11.131 10.891 6.518 1.00 0.00 C ATOM 200 O GLU A 13 -11.107 10.842 5.287 1.00 0.00 O ATOM 201 CB GLU A 13 -13.065 9.908 7.819 1.00 0.00 C ATOM 202 CG GLU A 13 -14.109 10.013 6.714 1.00 0.00 C ATOM 203 CD GLU A 13 -14.250 11.415 6.159 1.00 0.00 C ATOM 204 OE1 GLU A 13 -14.432 12.359 6.956 1.00 0.00 O ATOM 205 OE2 GLU A 13 -14.208 11.579 4.923 1.00 0.00 O ATOM 0 H GLU A 13 -11.227 9.619 9.390 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.588 8.823 6.693 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.335 9.080 8.474 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.104 10.816 8.421 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.842 9.334 5.905 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.073 9.684 7.101 1.00 0.00 H new ATOM 212 N GLN A 14 -10.717 11.946 7.213 1.00 0.00 N ATOM 213 CA GLN A 14 -10.214 13.151 6.566 1.00 0.00 C ATOM 214 C GLN A 14 -8.997 12.840 5.701 1.00 0.00 C ATOM 215 O GLN A 14 -8.971 13.169 4.514 1.00 0.00 O ATOM 216 CB GLN A 14 -9.840 14.197 7.618 1.00 0.00 C ATOM 217 CG GLN A 14 -9.386 15.525 7.035 1.00 0.00 C ATOM 218 CD GLN A 14 -10.515 16.300 6.382 1.00 0.00 C ATOM 219 OE1 GLN A 14 -11.468 15.722 5.857 1.00 0.00 O ATOM 220 NE2 GLN A 14 -10.411 17.615 6.406 1.00 0.00 N ATOM 0 H GLN A 14 -10.721 11.989 8.232 1.00 0.00 H new ATOM 0 HA GLN A 14 -11.004 13.544 5.926 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -10.700 14.371 8.265 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.044 13.797 8.247 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -8.946 16.132 7.826 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -8.603 15.344 6.299 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.605 18.055 6.851 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -11.136 18.192 5.980 1.00 0.00 H new ATOM 229 N LEU A 15 -8.005 12.195 6.304 1.00 0.00 N ATOM 230 CA LEU A 15 -6.756 11.889 5.619 1.00 0.00 C ATOM 231 C LEU A 15 -7.011 11.030 4.387 1.00 0.00 C ATOM 232 O LEU A 15 -6.524 11.335 3.300 1.00 0.00 O ATOM 233 CB LEU A 15 -5.792 11.174 6.572 1.00 0.00 C ATOM 234 CG LEU A 15 -4.390 10.923 6.013 1.00 0.00 C ATOM 235 CD1 LEU A 15 -3.687 12.239 5.719 1.00 0.00 C ATOM 236 CD2 LEU A 15 -3.573 10.087 6.985 1.00 0.00 C ATOM 0 H LEU A 15 -8.043 11.873 7.271 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.304 12.827 5.295 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.702 11.765 7.483 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.230 10.217 6.855 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.486 10.371 5.078 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.692 12.039 5.322 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.263 12.803 4.986 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.602 12.819 6.638 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.578 9.917 6.572 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.487 10.614 7.935 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.067 9.129 7.146 1.00 0.00 H new ATOM 248 N LEU A 16 -7.794 9.970 4.561 1.00 0.00 N ATOM 249 CA LEU A 16 -8.117 9.066 3.463 1.00 0.00 C ATOM 250 C LEU A 16 -8.822 9.830 2.342 1.00 0.00 C ATOM 251 O LEU A 16 -8.486 9.679 1.164 1.00 0.00 O ATOM 252 CB LEU A 16 -8.996 7.915 3.980 1.00 0.00 C ATOM 253 CG LEU A 16 -9.118 6.686 3.065 1.00 0.00 C ATOM 254 CD1 LEU A 16 -9.591 5.485 3.866 1.00 0.00 C ATOM 255 CD2 LEU A 16 -10.081 6.944 1.914 1.00 0.00 C ATOM 0 H LEU A 16 -8.217 9.716 5.454 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.196 8.645 3.059 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.600 7.588 4.941 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.997 8.305 4.164 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.132 6.483 2.647 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.674 4.619 3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.874 5.271 4.659 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.564 5.702 4.306 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -10.144 6.055 1.286 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.069 7.179 2.311 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.721 7.783 1.319 1.00 0.00 H new ATOM 267 N ALA A 17 -9.779 10.670 2.723 1.00 0.00 N ATOM 268 CA ALA A 17 -10.547 11.444 1.757 1.00 0.00 C ATOM 269 C ALA A 17 -9.656 12.408 0.985 1.00 0.00 C ATOM 270 O ALA A 17 -9.758 12.508 -0.234 1.00 0.00 O ATOM 271 CB ALA A 17 -11.667 12.203 2.449 1.00 0.00 C ATOM 0 H ALA A 17 -10.041 10.831 3.696 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.984 10.744 1.045 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -12.229 12.775 1.711 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -12.333 11.497 2.945 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -11.243 12.882 3.189 1.00 0.00 H new ATOM 277 N GLU A 18 -8.778 13.112 1.695 1.00 0.00 N ATOM 278 CA GLU A 18 -7.901 14.087 1.060 1.00 0.00 C ATOM 279 C GLU A 18 -6.897 13.414 0.135 1.00 0.00 C ATOM 280 O GLU A 18 -6.669 13.887 -0.974 1.00 0.00 O ATOM 281 CB GLU A 18 -7.165 14.934 2.096 1.00 0.00 C ATOM 282 CG GLU A 18 -8.079 15.832 2.910 1.00 0.00 C ATOM 283 CD GLU A 18 -7.309 16.869 3.697 1.00 0.00 C ATOM 284 OE1 GLU A 18 -6.546 16.487 4.599 1.00 0.00 O ATOM 285 OE2 GLU A 18 -7.467 18.075 3.414 1.00 0.00 O ATOM 0 H GLU A 18 -8.656 13.025 2.704 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.536 14.742 0.464 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.622 14.274 2.773 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.423 15.550 1.588 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.782 16.332 2.243 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.668 15.222 3.595 1.00 0.00 H new ATOM 292 N LEU A 19 -6.305 12.310 0.586 1.00 0.00 N ATOM 293 CA LEU A 19 -5.329 11.585 -0.226 1.00 0.00 C ATOM 294 C LEU A 19 -5.968 11.094 -1.518 1.00 0.00 C ATOM 295 O LEU A 19 -5.401 11.245 -2.605 1.00 0.00 O ATOM 296 CB LEU A 19 -4.743 10.406 0.555 1.00 0.00 C ATOM 297 CG LEU A 19 -3.906 10.789 1.775 1.00 0.00 C ATOM 298 CD1 LEU A 19 -3.437 9.546 2.511 1.00 0.00 C ATOM 299 CD2 LEU A 19 -2.717 11.642 1.354 1.00 0.00 C ATOM 0 H LEU A 19 -6.482 11.900 1.503 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.519 12.271 -0.476 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.561 9.764 0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.124 9.815 -0.120 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.528 11.373 2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.843 9.838 3.377 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.302 8.971 2.842 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.829 8.935 1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.130 11.907 2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.094 11.080 0.658 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.074 12.550 0.869 1.00 0.00 H new ATOM 311 N LEU A 20 -7.158 10.522 -1.396 1.00 0.00 N ATOM 312 CA LEU A 20 -7.906 10.072 -2.555 1.00 0.00 C ATOM 313 C LEU A 20 -8.272 11.265 -3.432 1.00 0.00 C ATOM 314 O LEU A 20 -8.169 11.203 -4.654 1.00 0.00 O ATOM 315 CB LEU A 20 -9.171 9.328 -2.113 1.00 0.00 C ATOM 316 CG LEU A 20 -10.006 8.718 -3.243 1.00 0.00 C ATOM 317 CD1 LEU A 20 -9.197 7.680 -4.005 1.00 0.00 C ATOM 318 CD2 LEU A 20 -11.274 8.091 -2.684 1.00 0.00 C ATOM 0 H LEU A 20 -7.624 10.360 -0.503 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.286 9.387 -3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.882 8.531 -1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.800 10.019 -1.552 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.284 9.514 -3.934 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -9.807 7.258 -4.804 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.313 8.151 -4.434 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.891 6.886 -3.324 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -11.857 7.662 -3.499 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -11.010 7.307 -1.974 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.865 8.854 -2.178 1.00 0.00 H new ATOM 330 N ASN A 21 -8.668 12.360 -2.787 1.00 0.00 N ATOM 331 CA ASN A 21 -9.046 13.583 -3.489 1.00 0.00 C ATOM 332 C ASN A 21 -7.869 14.146 -4.285 1.00 0.00 C ATOM 333 O ASN A 21 -8.052 14.658 -5.387 1.00 0.00 O ATOM 334 CB ASN A 21 -9.564 14.627 -2.492 1.00 0.00 C ATOM 335 CG ASN A 21 -10.101 15.872 -3.168 1.00 0.00 C ATOM 336 OD1 ASN A 21 -11.265 15.923 -3.559 1.00 0.00 O ATOM 337 ND2 ASN A 21 -9.275 16.895 -3.281 1.00 0.00 N ATOM 0 H ASN A 21 -8.735 12.424 -1.771 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.843 13.339 -4.192 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.351 14.182 -1.884 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.757 14.907 -1.815 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.596 17.765 -3.705 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.315 16.815 -2.945 1.00 0.00 H new ATOM 344 N VAL A 22 -6.664 14.041 -3.731 1.00 0.00 N ATOM 345 CA VAL A 22 -5.460 14.460 -4.443 1.00 0.00 C ATOM 346 C VAL A 22 -5.340 13.689 -5.753 1.00 0.00 C ATOM 347 O VAL A 22 -5.086 14.271 -6.811 1.00 0.00 O ATOM 348 CB VAL A 22 -4.176 14.249 -3.605 1.00 0.00 C ATOM 349 CG1 VAL A 22 -2.936 14.612 -4.410 1.00 0.00 C ATOM 350 CG2 VAL A 22 -4.221 15.068 -2.325 1.00 0.00 C ATOM 0 H VAL A 22 -6.495 13.671 -2.795 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.556 15.528 -4.638 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.124 13.193 -3.341 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.047 14.455 -3.799 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.882 13.983 -5.298 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.990 15.659 -4.710 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.307 14.902 -1.754 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.307 16.126 -2.573 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.081 14.764 -1.729 1.00 0.00 H new ATOM 360 N LEU A 23 -5.548 12.379 -5.676 1.00 0.00 N ATOM 361 CA LEU A 23 -5.528 11.532 -6.860 1.00 0.00 C ATOM 362 C LEU A 23 -6.663 11.913 -7.806 1.00 0.00 C ATOM 363 O LEU A 23 -6.460 12.026 -9.014 1.00 0.00 O ATOM 364 CB LEU A 23 -5.646 10.056 -6.468 1.00 0.00 C ATOM 365 CG LEU A 23 -4.535 9.526 -5.556 1.00 0.00 C ATOM 366 CD1 LEU A 23 -4.779 8.064 -5.219 1.00 0.00 C ATOM 367 CD2 LEU A 23 -3.173 9.695 -6.214 1.00 0.00 C ATOM 0 H LEU A 23 -5.732 11.882 -4.805 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.577 11.683 -7.372 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.604 9.906 -5.970 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.662 9.456 -7.378 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.545 10.105 -4.632 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.981 7.702 -4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.736 7.963 -4.707 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.795 7.477 -6.137 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.398 9.312 -5.550 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.151 9.142 -7.153 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.993 10.752 -6.411 1.00 0.00 H new ATOM 379 N GLU A 24 -7.845 12.133 -7.241 1.00 0.00 N ATOM 380 CA GLU A 24 -9.032 12.492 -8.016 1.00 0.00 C ATOM 381 C GLU A 24 -8.828 13.790 -8.798 1.00 0.00 C ATOM 382 O GLU A 24 -9.248 13.896 -9.947 1.00 0.00 O ATOM 383 CB GLU A 24 -10.246 12.629 -7.097 1.00 0.00 C ATOM 384 CG GLU A 24 -10.685 11.322 -6.458 1.00 0.00 C ATOM 385 CD GLU A 24 -11.223 10.328 -7.465 1.00 0.00 C ATOM 386 OE1 GLU A 24 -12.417 10.424 -7.817 1.00 0.00 O ATOM 387 OE2 GLU A 24 -10.464 9.440 -7.906 1.00 0.00 O ATOM 0 H GLU A 24 -8.009 12.068 -6.236 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.207 11.690 -8.733 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.015 13.347 -6.310 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.078 13.040 -7.669 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.840 10.878 -5.932 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.452 11.528 -5.712 1.00 0.00 H new ATOM 394 N LYS A 25 -8.169 14.768 -8.182 1.00 0.00 N ATOM 395 CA LYS A 25 -7.913 16.049 -8.842 1.00 0.00 C ATOM 396 C LYS A 25 -7.039 15.868 -10.082 1.00 0.00 C ATOM 397 O LYS A 25 -7.028 16.713 -10.976 1.00 0.00 O ATOM 398 CB LYS A 25 -7.249 17.041 -7.883 1.00 0.00 C ATOM 399 CG LYS A 25 -8.125 17.436 -6.705 1.00 0.00 C ATOM 400 CD LYS A 25 -7.522 18.590 -5.917 1.00 0.00 C ATOM 401 CE LYS A 25 -6.125 18.267 -5.407 1.00 0.00 C ATOM 402 NZ LYS A 25 -5.521 19.419 -4.684 1.00 0.00 N ATOM 0 H LYS A 25 -7.804 14.701 -7.232 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.878 16.451 -9.151 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.325 16.604 -7.506 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.974 17.939 -8.437 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.114 17.719 -7.066 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.259 16.577 -6.047 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.481 19.477 -6.549 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.169 18.829 -5.073 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.171 17.404 -4.742 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.487 17.989 -6.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.570 19.160 -4.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.454 20.235 -5.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.117 19.668 -3.869 1.00 0.00 H new ATOM 416 N HIS A 26 -6.312 14.761 -10.133 1.00 0.00 N ATOM 417 CA HIS A 26 -5.456 14.466 -11.276 1.00 0.00 C ATOM 418 C HIS A 26 -6.103 13.431 -12.190 1.00 0.00 C ATOM 419 O HIS A 26 -5.806 13.384 -13.381 1.00 0.00 O ATOM 420 CB HIS A 26 -4.091 13.949 -10.816 1.00 0.00 C ATOM 421 CG HIS A 26 -3.236 14.982 -10.150 1.00 0.00 C ATOM 422 ND1 HIS A 26 -2.375 15.798 -10.839 1.00 0.00 N ATOM 423 CD2 HIS A 26 -3.102 15.315 -8.847 1.00 0.00 C ATOM 424 CE1 HIS A 26 -1.742 16.582 -9.990 1.00 0.00 C ATOM 425 NE2 HIS A 26 -2.162 16.311 -8.773 1.00 0.00 N ATOM 0 H HIS A 26 -6.297 14.053 -9.399 1.00 0.00 H new ATOM 0 HA HIS A 26 -5.320 15.395 -11.829 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -4.243 13.119 -10.126 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -3.556 13.552 -11.679 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -3.637 14.877 -8.017 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -1.001 17.324 -10.250 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -1.842 16.765 -7.918 1.00 0.00 H new ATOM 434 N LYS A 27 -6.994 12.623 -11.616 1.00 0.00 N ATOM 435 CA LYS A 27 -7.584 11.481 -12.311 1.00 0.00 C ATOM 436 C LYS A 27 -6.494 10.612 -12.920 1.00 0.00 C ATOM 437 O LYS A 27 -6.303 10.578 -14.137 1.00 0.00 O ATOM 438 CB LYS A 27 -8.598 11.922 -13.371 1.00 0.00 C ATOM 439 CG LYS A 27 -9.903 12.422 -12.776 1.00 0.00 C ATOM 440 CD LYS A 27 -10.932 12.726 -13.849 1.00 0.00 C ATOM 441 CE LYS A 27 -12.293 13.012 -13.237 1.00 0.00 C ATOM 442 NZ LYS A 27 -13.332 13.227 -14.273 1.00 0.00 N ATOM 0 H LYS A 27 -7.326 12.742 -10.659 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.130 10.888 -11.577 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.158 12.711 -13.980 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.806 11.084 -14.036 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.301 11.672 -12.092 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.714 13.321 -12.189 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.606 13.584 -14.436 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.008 11.881 -14.534 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.585 12.179 -12.597 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.227 13.895 -12.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.245 13.419 -13.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.066 14.037 -14.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.414 12.375 -14.864 1.00 0.00 H new ATOM 456 N ALA A 28 -5.763 9.935 -12.048 1.00 0.00 N ATOM 457 CA ALA A 28 -4.639 9.115 -12.461 1.00 0.00 C ATOM 458 C ALA A 28 -5.093 7.710 -12.831 1.00 0.00 C ATOM 459 O ALA A 28 -6.058 7.192 -12.261 1.00 0.00 O ATOM 460 CB ALA A 28 -3.596 9.062 -11.353 1.00 0.00 C ATOM 0 H ALA A 28 -5.932 9.939 -11.042 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.193 9.567 -13.347 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.757 8.444 -11.673 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.243 10.070 -11.137 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.041 8.633 -10.455 1.00 0.00 H new ATOM 466 N PRO A 29 -4.418 7.085 -13.809 1.00 0.00 N ATOM 467 CA PRO A 29 -4.690 5.700 -14.196 1.00 0.00 C ATOM 468 C PRO A 29 -4.414 4.734 -13.049 1.00 0.00 C ATOM 469 O PRO A 29 -3.571 5.008 -12.190 1.00 0.00 O ATOM 470 CB PRO A 29 -3.717 5.444 -15.356 1.00 0.00 C ATOM 471 CG PRO A 29 -3.302 6.796 -15.827 1.00 0.00 C ATOM 472 CD PRO A 29 -3.349 7.685 -14.621 1.00 0.00 C ATOM 0 HA PRO A 29 -5.734 5.548 -14.469 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -2.857 4.861 -15.027 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -4.197 4.879 -16.155 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.299 6.770 -16.254 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -3.971 7.160 -16.607 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -2.397 7.696 -14.090 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -3.576 8.717 -14.889 1.00 0.00 H new ATOM 480 N THR A 30 -5.114 3.604 -13.051 1.00 0.00 N ATOM 481 CA THR A 30 -5.010 2.621 -11.978 1.00 0.00 C ATOM 482 C THR A 30 -3.551 2.233 -11.702 1.00 0.00 C ATOM 483 O THR A 30 -3.121 2.188 -10.548 1.00 0.00 O ATOM 484 CB THR A 30 -5.824 1.364 -12.330 1.00 0.00 C ATOM 485 OG1 THR A 30 -7.108 1.750 -12.846 1.00 0.00 O ATOM 486 CG2 THR A 30 -6.011 0.476 -11.109 1.00 0.00 C ATOM 0 H THR A 30 -5.766 3.345 -13.792 1.00 0.00 H new ATOM 0 HA THR A 30 -5.414 3.077 -11.074 1.00 0.00 H new ATOM 0 HB THR A 30 -5.276 0.800 -13.085 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.625 0.948 -13.071 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.590 -0.405 -11.385 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.036 0.167 -10.731 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.541 1.030 -10.334 1.00 0.00 H new ATOM 494 N ASP A 31 -2.793 1.981 -12.770 1.00 0.00 N ATOM 495 CA ASP A 31 -1.382 1.613 -12.653 1.00 0.00 C ATOM 496 C ASP A 31 -0.598 2.703 -11.935 1.00 0.00 C ATOM 497 O ASP A 31 0.171 2.427 -11.014 1.00 0.00 O ATOM 498 CB ASP A 31 -0.756 1.389 -14.035 1.00 0.00 C ATOM 499 CG ASP A 31 -1.475 0.337 -14.851 1.00 0.00 C ATOM 500 OD1 ASP A 31 -2.465 0.684 -15.531 1.00 0.00 O ATOM 501 OD2 ASP A 31 -1.051 -0.837 -14.834 1.00 0.00 O ATOM 0 H ASP A 31 -3.135 2.025 -13.730 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.335 0.688 -12.079 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.758 2.330 -14.585 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.286 1.094 -13.911 1.00 0.00 H new ATOM 506 N LEU A 32 -0.814 3.944 -12.354 1.00 0.00 N ATOM 507 CA LEU A 32 -0.078 5.077 -11.811 1.00 0.00 C ATOM 508 C LEU A 32 -0.359 5.242 -10.323 1.00 0.00 C ATOM 509 O LEU A 32 0.566 5.381 -9.524 1.00 0.00 O ATOM 510 CB LEU A 32 -0.436 6.362 -12.565 1.00 0.00 C ATOM 511 CG LEU A 32 0.340 7.609 -12.132 1.00 0.00 C ATOM 512 CD1 LEU A 32 1.832 7.419 -12.359 1.00 0.00 C ATOM 513 CD2 LEU A 32 -0.155 8.829 -12.888 1.00 0.00 C ATOM 0 H LEU A 32 -1.496 4.191 -13.071 1.00 0.00 H new ATOM 0 HA LEU A 32 0.987 4.882 -11.940 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.266 6.199 -13.629 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.501 6.554 -12.438 1.00 0.00 H new ATOM 0 HG LEU A 32 0.170 7.764 -11.067 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.365 8.316 -12.045 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.183 6.566 -11.778 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.019 7.238 -13.417 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.406 9.707 -12.569 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.013 8.676 -13.958 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.214 8.981 -12.681 1.00 0.00 H new ATOM 525 N SER A 33 -1.635 5.205 -9.958 1.00 0.00 N ATOM 526 CA SER A 33 -2.040 5.344 -8.566 1.00 0.00 C ATOM 527 C SER A 33 -1.378 4.279 -7.693 1.00 0.00 C ATOM 528 O SER A 33 -0.879 4.575 -6.606 1.00 0.00 O ATOM 529 CB SER A 33 -3.563 5.248 -8.456 1.00 0.00 C ATOM 530 OG SER A 33 -4.192 6.182 -9.318 1.00 0.00 O ATOM 0 H SER A 33 -2.409 5.079 -10.610 1.00 0.00 H new ATOM 0 HA SER A 33 -1.715 6.321 -8.209 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.887 4.238 -8.709 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.870 5.433 -7.427 1.00 0.00 H new ATOM 0 HG SER A 33 -4.197 5.831 -10.233 1.00 0.00 H new ATOM 536 N LEU A 34 -1.354 3.043 -8.186 1.00 0.00 N ATOM 537 CA LEU A 34 -0.751 1.940 -7.448 1.00 0.00 C ATOM 538 C LEU A 34 0.754 2.136 -7.300 1.00 0.00 C ATOM 539 O LEU A 34 1.319 1.890 -6.235 1.00 0.00 O ATOM 540 CB LEU A 34 -1.042 0.608 -8.144 1.00 0.00 C ATOM 541 CG LEU A 34 -2.519 0.207 -8.200 1.00 0.00 C ATOM 542 CD1 LEU A 34 -2.690 -1.098 -8.966 1.00 0.00 C ATOM 543 CD2 LEU A 34 -3.089 0.078 -6.794 1.00 0.00 C ATOM 0 H LEU A 34 -1.745 2.782 -9.091 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.193 1.923 -6.452 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.657 0.658 -9.163 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.488 -0.179 -7.632 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.068 0.988 -8.725 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.746 -1.367 -8.995 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.319 -0.974 -9.983 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.128 -1.888 -8.468 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.139 -0.207 -6.852 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.536 -0.684 -6.246 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.001 1.033 -6.277 1.00 0.00 H new ATOM 555 N MET A 35 1.400 2.594 -8.367 1.00 0.00 N ATOM 556 CA MET A 35 2.841 2.811 -8.346 1.00 0.00 C ATOM 557 C MET A 35 3.212 3.940 -7.393 1.00 0.00 C ATOM 558 O MET A 35 4.160 3.817 -6.620 1.00 0.00 O ATOM 559 CB MET A 35 3.374 3.111 -9.749 1.00 0.00 C ATOM 560 CG MET A 35 3.312 1.922 -10.696 1.00 0.00 C ATOM 561 SD MET A 35 4.076 2.262 -12.297 1.00 0.00 S ATOM 562 CE MET A 35 3.061 3.615 -12.879 1.00 0.00 C ATOM 0 H MET A 35 0.950 2.821 -9.254 1.00 0.00 H new ATOM 0 HA MET A 35 3.304 1.891 -7.989 1.00 0.00 H new ATOM 0 HB2 MET A 35 2.802 3.934 -10.177 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.408 3.448 -9.671 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.810 1.069 -10.235 1.00 0.00 H new ATOM 0 HG3 MET A 35 2.271 1.639 -10.848 1.00 0.00 H new ATOM 0 HE1 MET A 35 3.316 3.842 -13.914 1.00 0.00 H new ATOM 0 HE2 MET A 35 2.010 3.334 -12.818 1.00 0.00 H new ATOM 0 HE3 MET A 35 3.238 4.495 -12.260 1.00 0.00 H new ATOM 572 N VAL A 36 2.456 5.033 -7.437 1.00 0.00 N ATOM 573 CA VAL A 36 2.721 6.174 -6.567 1.00 0.00 C ATOM 574 C VAL A 36 2.516 5.797 -5.101 1.00 0.00 C ATOM 575 O VAL A 36 3.369 6.075 -4.258 1.00 0.00 O ATOM 576 CB VAL A 36 1.834 7.390 -6.923 1.00 0.00 C ATOM 577 CG1 VAL A 36 2.095 8.550 -5.974 1.00 0.00 C ATOM 578 CG2 VAL A 36 2.073 7.825 -8.362 1.00 0.00 C ATOM 0 H VAL A 36 1.659 5.153 -8.062 1.00 0.00 H new ATOM 0 HA VAL A 36 3.762 6.458 -6.723 1.00 0.00 H new ATOM 0 HB VAL A 36 0.792 7.087 -6.817 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.459 9.393 -6.246 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.872 8.242 -4.953 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.141 8.848 -6.043 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.440 8.682 -8.593 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.119 8.102 -8.489 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.831 7.003 -9.036 1.00 0.00 H new ATOM 588 N LEU A 37 1.396 5.143 -4.805 1.00 0.00 N ATOM 589 CA LEU A 37 1.106 4.711 -3.441 1.00 0.00 C ATOM 590 C LEU A 37 2.126 3.678 -2.968 1.00 0.00 C ATOM 591 O LEU A 37 2.577 3.723 -1.826 1.00 0.00 O ATOM 592 CB LEU A 37 -0.310 4.133 -3.341 1.00 0.00 C ATOM 593 CG LEU A 37 -1.442 5.144 -3.541 1.00 0.00 C ATOM 594 CD1 LEU A 37 -2.794 4.460 -3.427 1.00 0.00 C ATOM 595 CD2 LEU A 37 -1.333 6.277 -2.530 1.00 0.00 C ATOM 0 H LEU A 37 0.678 4.902 -5.488 1.00 0.00 H new ATOM 0 HA LEU A 37 1.172 5.586 -2.795 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.416 3.342 -4.083 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.428 3.669 -2.362 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.351 5.566 -4.542 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.587 5.194 -3.572 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.875 3.684 -4.188 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.892 4.010 -2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.146 6.985 -2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.397 5.871 -1.520 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.378 6.787 -2.657 1.00 0.00 H new ATOM 607 N GLY A 38 2.492 2.758 -3.854 1.00 0.00 N ATOM 608 CA GLY A 38 3.500 1.764 -3.526 1.00 0.00 C ATOM 609 C GLY A 38 4.835 2.401 -3.201 1.00 0.00 C ATOM 610 O GLY A 38 5.465 2.067 -2.195 1.00 0.00 O ATOM 0 H GLY A 38 2.108 2.682 -4.796 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.163 1.172 -2.675 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.620 1.078 -4.364 1.00 0.00 H new ATOM 614 N ASN A 39 5.255 3.327 -4.055 1.00 0.00 N ATOM 615 CA ASN A 39 6.476 4.099 -3.840 1.00 0.00 C ATOM 616 C ASN A 39 6.403 4.836 -2.506 1.00 0.00 C ATOM 617 O ASN A 39 7.337 4.795 -1.702 1.00 0.00 O ATOM 618 CB ASN A 39 6.652 5.109 -4.980 1.00 0.00 C ATOM 619 CG ASN A 39 7.904 5.954 -4.848 1.00 0.00 C ATOM 620 OD1 ASN A 39 7.917 6.964 -4.147 1.00 0.00 O ATOM 621 ND2 ASN A 39 8.954 5.568 -5.548 1.00 0.00 N ATOM 0 H ASN A 39 4.761 3.565 -4.915 1.00 0.00 H new ATOM 0 HA ASN A 39 7.328 3.420 -3.822 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.683 4.573 -5.929 1.00 0.00 H new ATOM 0 HB3 ASN A 39 5.782 5.765 -5.012 1.00 0.00 H new ATOM 0 HD21 ASN A 39 9.815 6.114 -5.519 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.904 4.724 -6.118 1.00 0.00 H new ATOM 628 N MET A 40 5.269 5.489 -2.284 1.00 0.00 N ATOM 629 CA MET A 40 5.020 6.245 -1.064 1.00 0.00 C ATOM 630 C MET A 40 5.157 5.360 0.173 1.00 0.00 C ATOM 631 O MET A 40 5.902 5.691 1.094 1.00 0.00 O ATOM 632 CB MET A 40 3.621 6.862 -1.122 1.00 0.00 C ATOM 633 CG MET A 40 3.226 7.633 0.124 1.00 0.00 C ATOM 634 SD MET A 40 1.556 8.298 0.006 1.00 0.00 S ATOM 635 CE MET A 40 1.381 9.042 1.622 1.00 0.00 C ATOM 0 H MET A 40 4.494 5.509 -2.947 1.00 0.00 H new ATOM 0 HA MET A 40 5.765 7.037 -0.989 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.567 7.531 -1.981 1.00 0.00 H new ATOM 0 HB3 MET A 40 2.893 6.068 -1.290 1.00 0.00 H new ATOM 0 HG2 MET A 40 3.295 6.978 0.992 1.00 0.00 H new ATOM 0 HG3 MET A 40 3.931 8.449 0.284 1.00 0.00 H new ATOM 0 HE1 MET A 40 0.324 9.113 1.877 1.00 0.00 H new ATOM 0 HE2 MET A 40 1.893 8.427 2.363 1.00 0.00 H new ATOM 0 HE3 MET A 40 1.820 10.040 1.613 1.00 0.00 H new ATOM 645 N VAL A 41 4.447 4.235 0.180 1.00 0.00 N ATOM 646 CA VAL A 41 4.486 3.312 1.310 1.00 0.00 C ATOM 647 C VAL A 41 5.902 2.788 1.535 1.00 0.00 C ATOM 648 O VAL A 41 6.383 2.752 2.668 1.00 0.00 O ATOM 649 CB VAL A 41 3.518 2.122 1.106 1.00 0.00 C ATOM 650 CG1 VAL A 41 3.661 1.101 2.228 1.00 0.00 C ATOM 651 CG2 VAL A 41 2.080 2.612 1.019 1.00 0.00 C ATOM 0 H VAL A 41 3.838 3.941 -0.584 1.00 0.00 H new ATOM 0 HA VAL A 41 4.166 3.869 2.191 1.00 0.00 H new ATOM 0 HB VAL A 41 3.779 1.635 0.167 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.969 0.276 2.059 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.682 0.721 2.246 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.434 1.575 3.183 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.414 1.761 0.876 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.815 3.129 1.941 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.979 3.297 0.178 1.00 0.00 H new ATOM 661 N THR A 42 6.572 2.409 0.450 1.00 0.00 N ATOM 662 CA THR A 42 7.938 1.906 0.534 1.00 0.00 C ATOM 663 C THR A 42 8.854 2.939 1.187 1.00 0.00 C ATOM 664 O THR A 42 9.549 2.647 2.162 1.00 0.00 O ATOM 665 CB THR A 42 8.498 1.548 -0.858 1.00 0.00 C ATOM 666 OG1 THR A 42 7.621 0.631 -1.526 1.00 0.00 O ATOM 667 CG2 THR A 42 9.878 0.926 -0.738 1.00 0.00 C ATOM 0 H THR A 42 6.191 2.441 -0.496 1.00 0.00 H new ATOM 0 HA THR A 42 7.908 1.003 1.143 1.00 0.00 H new ATOM 0 HB THR A 42 8.572 2.468 -1.438 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.848 1.118 -1.882 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.254 0.681 -1.731 1.00 0.00 H new ATOM 0 HG22 THR A 42 10.555 1.632 -0.257 1.00 0.00 H new ATOM 0 HG23 THR A 42 9.817 0.017 -0.139 1.00 0.00 H new ATOM 675 N ASN A 43 8.822 4.157 0.658 1.00 0.00 N ATOM 676 CA ASN A 43 9.660 5.236 1.169 1.00 0.00 C ATOM 677 C ASN A 43 9.295 5.579 2.606 1.00 0.00 C ATOM 678 O ASN A 43 10.167 5.898 3.409 1.00 0.00 O ATOM 679 CB ASN A 43 9.549 6.480 0.281 1.00 0.00 C ATOM 680 CG ASN A 43 10.327 6.339 -1.014 1.00 0.00 C ATOM 681 OD1 ASN A 43 11.370 5.689 -1.060 1.00 0.00 O ATOM 682 ND2 ASN A 43 9.821 6.940 -2.076 1.00 0.00 N ATOM 0 H ASN A 43 8.224 4.422 -0.125 1.00 0.00 H new ATOM 0 HA ASN A 43 10.693 4.889 1.152 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.500 6.667 0.053 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.916 7.348 0.829 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.298 6.874 -2.975 1.00 0.00 H new ATOM 0 HD22 ASN A 43 8.953 7.470 -1.997 1.00 0.00 H new ATOM 689 N LEU A 44 8.010 5.498 2.930 1.00 0.00 N ATOM 690 CA LEU A 44 7.541 5.781 4.283 1.00 0.00 C ATOM 691 C LEU A 44 8.130 4.783 5.278 1.00 0.00 C ATOM 692 O LEU A 44 8.554 5.160 6.373 1.00 0.00 O ATOM 693 CB LEU A 44 6.010 5.744 4.338 1.00 0.00 C ATOM 694 CG LEU A 44 5.393 6.116 5.690 1.00 0.00 C ATOM 695 CD1 LEU A 44 5.764 7.543 6.073 1.00 0.00 C ATOM 696 CD2 LEU A 44 3.884 5.954 5.645 1.00 0.00 C ATOM 0 H LEU A 44 7.273 5.239 2.274 1.00 0.00 H new ATOM 0 HA LEU A 44 7.876 6.781 4.558 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.619 6.423 3.580 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.678 4.741 4.069 1.00 0.00 H new ATOM 0 HG LEU A 44 5.792 5.442 6.448 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.317 7.789 7.036 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.848 7.631 6.143 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.393 8.232 5.314 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.460 6.222 6.613 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.471 6.606 4.875 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.636 4.918 5.415 1.00 0.00 H new ATOM 708 N ILE A 45 8.162 3.513 4.890 1.00 0.00 N ATOM 709 CA ILE A 45 8.748 2.476 5.730 1.00 0.00 C ATOM 710 C ILE A 45 10.262 2.650 5.817 1.00 0.00 C ATOM 711 O ILE A 45 10.839 2.580 6.899 1.00 0.00 O ATOM 712 CB ILE A 45 8.419 1.060 5.205 1.00 0.00 C ATOM 713 CG1 ILE A 45 6.904 0.847 5.165 1.00 0.00 C ATOM 714 CG2 ILE A 45 9.080 0.000 6.077 1.00 0.00 C ATOM 715 CD1 ILE A 45 6.487 -0.498 4.603 1.00 0.00 C ATOM 0 H ILE A 45 7.790 3.178 4.001 1.00 0.00 H new ATOM 0 HA ILE A 45 8.312 2.581 6.724 1.00 0.00 H new ATOM 0 HB ILE A 45 8.811 0.967 4.192 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.506 0.947 6.175 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.452 1.637 4.565 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.837 -0.991 5.692 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.161 0.140 6.063 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.715 0.091 7.100 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.400 -0.573 4.608 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.853 -0.595 3.581 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.908 -1.295 5.216 1.00 0.00 H new ATOM 727 N ASN A 46 10.891 2.898 4.674 1.00 0.00 N ATOM 728 CA ASN A 46 12.342 3.070 4.608 1.00 0.00 C ATOM 729 C ASN A 46 12.815 4.260 5.440 1.00 0.00 C ATOM 730 O ASN A 46 13.896 4.221 6.028 1.00 0.00 O ATOM 731 CB ASN A 46 12.804 3.243 3.157 1.00 0.00 C ATOM 732 CG ASN A 46 12.840 1.935 2.385 1.00 0.00 C ATOM 733 OD1 ASN A 46 12.105 0.999 2.686 1.00 0.00 O ATOM 734 ND2 ASN A 46 13.699 1.862 1.379 1.00 0.00 N ATOM 0 H ASN A 46 10.418 2.985 3.775 1.00 0.00 H new ATOM 0 HA ASN A 46 12.786 2.166 5.024 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.137 3.940 2.650 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.798 3.691 3.149 1.00 0.00 H new ATOM 0 HD21 ASN A 46 13.765 1.008 0.826 1.00 0.00 H new ATOM 0 HD22 ASN A 46 14.294 2.660 1.158 1.00 0.00 H new ATOM 741 N THR A 47 12.006 5.310 5.488 1.00 0.00 N ATOM 742 CA THR A 47 12.369 6.514 6.223 1.00 0.00 C ATOM 743 C THR A 47 12.078 6.375 7.716 1.00 0.00 C ATOM 744 O THR A 47 12.903 6.740 8.554 1.00 0.00 O ATOM 745 CB THR A 47 11.630 7.750 5.676 1.00 0.00 C ATOM 746 OG1 THR A 47 10.229 7.470 5.563 1.00 0.00 O ATOM 747 CG2 THR A 47 12.183 8.159 4.318 1.00 0.00 C ATOM 0 H THR A 47 11.097 5.352 5.028 1.00 0.00 H new ATOM 0 HA THR A 47 13.442 6.648 6.086 1.00 0.00 H new ATOM 0 HB THR A 47 11.782 8.575 6.373 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.048 7.054 4.694 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.644 9.034 3.954 1.00 0.00 H new ATOM 0 HG22 THR A 47 13.242 8.399 4.414 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.059 7.337 3.612 1.00 0.00 H new ATOM 755 N SER A 48 10.910 5.838 8.043 1.00 0.00 N ATOM 756 CA SER A 48 10.492 5.721 9.432 1.00 0.00 C ATOM 757 C SER A 48 11.213 4.574 10.133 1.00 0.00 C ATOM 758 O SER A 48 11.733 4.739 11.237 1.00 0.00 O ATOM 759 CB SER A 48 8.979 5.515 9.508 1.00 0.00 C ATOM 760 OG SER A 48 8.293 6.550 8.822 1.00 0.00 O ATOM 0 H SER A 48 10.237 5.478 7.366 1.00 0.00 H new ATOM 0 HA SER A 48 10.756 6.647 9.943 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.717 4.550 9.074 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.663 5.492 10.551 1.00 0.00 H new ATOM 0 HG SER A 48 8.228 6.325 7.870 1.00 0.00 H new ATOM 766 N ILE A 49 11.259 3.422 9.483 1.00 0.00 N ATOM 767 CA ILE A 49 11.861 2.241 10.076 1.00 0.00 C ATOM 768 C ILE A 49 13.356 2.211 9.787 1.00 0.00 C ATOM 769 O ILE A 49 13.781 2.440 8.653 1.00 0.00 O ATOM 770 CB ILE A 49 11.202 0.942 9.549 1.00 0.00 C ATOM 771 CG1 ILE A 49 9.690 0.962 9.815 1.00 0.00 C ATOM 772 CG2 ILE A 49 11.839 -0.288 10.185 1.00 0.00 C ATOM 773 CD1 ILE A 49 9.329 1.084 11.281 1.00 0.00 C ATOM 0 H ILE A 49 10.886 3.281 8.544 1.00 0.00 H new ATOM 0 HA ILE A 49 11.698 2.293 11.153 1.00 0.00 H new ATOM 0 HB ILE A 49 11.366 0.890 8.473 1.00 0.00 H new ATOM 0 HG12 ILE A 49 9.246 1.795 9.270 1.00 0.00 H new ATOM 0 HG13 ILE A 49 9.248 0.049 9.416 1.00 0.00 H new ATOM 0 HG21 ILE A 49 11.359 -1.187 9.799 1.00 0.00 H new ATOM 0 HG22 ILE A 49 12.902 -0.312 9.945 1.00 0.00 H new ATOM 0 HG23 ILE A 49 11.712 -0.245 11.267 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.244 1.091 11.389 1.00 0.00 H new ATOM 0 HD12 ILE A 49 9.743 0.238 11.829 1.00 0.00 H new ATOM 0 HD13 ILE A 49 9.740 2.011 11.681 1.00 0.00 H new ATOM 785 N ALA A 50 14.138 1.940 10.822 1.00 0.00 N ATOM 786 CA ALA A 50 15.588 1.889 10.701 1.00 0.00 C ATOM 787 C ALA A 50 16.015 0.824 9.693 1.00 0.00 C ATOM 788 O ALA A 50 15.362 -0.218 9.570 1.00 0.00 O ATOM 789 CB ALA A 50 16.216 1.620 12.060 1.00 0.00 C ATOM 0 H ALA A 50 13.789 1.751 11.762 1.00 0.00 H new ATOM 0 HA ALA A 50 15.937 2.855 10.337 1.00 0.00 H new ATOM 0 HB1 ALA A 50 17.301 1.584 11.959 1.00 0.00 H new ATOM 0 HB2 ALA A 50 15.943 2.417 12.751 1.00 0.00 H new ATOM 0 HB3 ALA A 50 15.855 0.666 12.445 1.00 0.00 H new ATOM 795 N PRO A 51 17.104 1.085 8.948 1.00 0.00 N ATOM 796 CA PRO A 51 17.621 0.165 7.923 1.00 0.00 C ATOM 797 C PRO A 51 18.123 -1.156 8.506 1.00 0.00 C ATOM 798 O PRO A 51 19.329 -1.383 8.610 1.00 0.00 O ATOM 799 CB PRO A 51 18.785 0.942 7.286 1.00 0.00 C ATOM 800 CG PRO A 51 18.573 2.363 7.687 1.00 0.00 C ATOM 801 CD PRO A 51 17.913 2.310 9.032 1.00 0.00 C ATOM 0 HA PRO A 51 16.840 -0.118 7.217 1.00 0.00 H new ATOM 0 HB2 PRO A 51 19.747 0.572 7.641 1.00 0.00 H new ATOM 0 HB3 PRO A 51 18.783 0.835 6.201 1.00 0.00 H new ATOM 0 HG2 PRO A 51 19.519 2.901 7.736 1.00 0.00 H new ATOM 0 HG3 PRO A 51 17.947 2.885 6.964 1.00 0.00 H new ATOM 0 HD2 PRO A 51 18.643 2.258 9.839 1.00 0.00 H new ATOM 0 HD3 PRO A 51 17.297 3.190 9.216 1.00 0.00 H new ATOM 809 N ALA A 52 17.188 -2.014 8.890 1.00 0.00 N ATOM 810 CA ALA A 52 17.517 -3.321 9.433 1.00 0.00 C ATOM 811 C ALA A 52 16.320 -4.262 9.340 1.00 0.00 C ATOM 812 O ALA A 52 16.369 -5.281 8.649 1.00 0.00 O ATOM 813 CB ALA A 52 17.978 -3.195 10.878 1.00 0.00 C ATOM 0 H ALA A 52 16.187 -1.824 8.834 1.00 0.00 H new ATOM 0 HA ALA A 52 18.331 -3.741 8.842 1.00 0.00 H new ATOM 0 HB1 ALA A 52 18.221 -4.183 11.270 1.00 0.00 H new ATOM 0 HB2 ALA A 52 18.862 -2.559 10.924 1.00 0.00 H new ATOM 0 HB3 ALA A 52 17.182 -2.753 11.477 1.00 0.00 H new ATOM 819 N GLN A 53 15.234 -3.901 10.016 1.00 0.00 N ATOM 820 CA GLN A 53 14.059 -4.768 10.096 1.00 0.00 C ATOM 821 C GLN A 53 12.907 -4.247 9.234 1.00 0.00 C ATOM 822 O GLN A 53 11.736 -4.493 9.532 1.00 0.00 O ATOM 823 CB GLN A 53 13.594 -4.924 11.555 1.00 0.00 C ATOM 824 CG GLN A 53 13.201 -3.624 12.250 1.00 0.00 C ATOM 825 CD GLN A 53 14.391 -2.837 12.768 1.00 0.00 C ATOM 826 OE1 GLN A 53 15.426 -3.403 13.115 1.00 0.00 O ATOM 827 NE2 GLN A 53 14.247 -1.526 12.835 1.00 0.00 N ATOM 0 H GLN A 53 15.141 -3.017 10.516 1.00 0.00 H new ATOM 0 HA GLN A 53 14.354 -5.743 9.709 1.00 0.00 H new ATOM 0 HB2 GLN A 53 12.741 -5.603 11.578 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.393 -5.397 12.126 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.639 -3.003 11.553 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.535 -3.852 13.082 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.373 -1.093 12.538 1.00 0.00 H new ATOM 0 HE22 GLN A 53 15.010 -0.946 13.184 1.00 0.00 H new ATOM 836 N ARG A 54 13.233 -3.563 8.145 1.00 0.00 N ATOM 837 CA ARG A 54 12.208 -3.012 7.264 1.00 0.00 C ATOM 838 C ARG A 54 11.460 -4.130 6.545 1.00 0.00 C ATOM 839 O ARG A 54 10.261 -4.021 6.295 1.00 0.00 O ATOM 840 CB ARG A 54 12.812 -2.044 6.243 1.00 0.00 C ATOM 841 CG ARG A 54 13.562 -0.881 6.874 1.00 0.00 C ATOM 842 CD ARG A 54 13.883 0.201 5.854 1.00 0.00 C ATOM 843 NE ARG A 54 14.551 -0.335 4.668 1.00 0.00 N ATOM 844 CZ ARG A 54 15.717 0.108 4.202 1.00 0.00 C ATOM 845 NH1 ARG A 54 16.346 1.112 4.803 1.00 0.00 N ATOM 846 NH2 ARG A 54 16.241 -0.442 3.116 1.00 0.00 N ATOM 0 H ARG A 54 14.192 -3.377 7.851 1.00 0.00 H new ATOM 0 HA ARG A 54 11.504 -2.457 7.884 1.00 0.00 H new ATOM 0 HB2 ARG A 54 13.492 -2.594 5.592 1.00 0.00 H new ATOM 0 HB3 ARG A 54 12.015 -1.651 5.612 1.00 0.00 H new ATOM 0 HG2 ARG A 54 12.963 -0.456 7.679 1.00 0.00 H new ATOM 0 HG3 ARG A 54 14.487 -1.245 7.322 1.00 0.00 H new ATOM 0 HD2 ARG A 54 12.961 0.700 5.555 1.00 0.00 H new ATOM 0 HD3 ARG A 54 14.519 0.956 6.316 1.00 0.00 H new ATOM 0 HE ARG A 54 14.094 -1.097 4.166 1.00 0.00 H new ATOM 0 HH11 ARG A 54 15.936 1.550 5.628 1.00 0.00 H new ATOM 0 HH12 ARG A 54 17.239 1.445 4.439 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.751 -1.201 2.642 1.00 0.00 H new ATOM 0 HH22 ARG A 54 17.134 -0.107 2.755 1.00 0.00 H new ATOM 860 N GLN A 55 12.174 -5.210 6.227 1.00 0.00 N ATOM 861 CA GLN A 55 11.566 -6.375 5.588 1.00 0.00 C ATOM 862 C GLN A 55 10.456 -6.948 6.459 1.00 0.00 C ATOM 863 O GLN A 55 9.394 -7.318 5.959 1.00 0.00 O ATOM 864 CB GLN A 55 12.612 -7.458 5.321 1.00 0.00 C ATOM 865 CG GLN A 55 13.633 -7.086 4.261 1.00 0.00 C ATOM 866 CD GLN A 55 14.735 -8.120 4.139 1.00 0.00 C ATOM 867 OE1 GLN A 55 15.082 -8.786 5.111 1.00 0.00 O ATOM 868 NE2 GLN A 55 15.294 -8.262 2.950 1.00 0.00 N ATOM 0 H GLN A 55 13.175 -5.301 6.402 1.00 0.00 H new ATOM 0 HA GLN A 55 11.143 -6.048 4.638 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.135 -7.680 6.251 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.103 -8.372 5.015 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.132 -6.976 3.299 1.00 0.00 H new ATOM 0 HG3 GLN A 55 14.071 -6.118 4.505 1.00 0.00 H new ATOM 0 HE21 GLN A 55 14.978 -7.690 2.166 1.00 0.00 H new ATOM 0 HE22 GLN A 55 16.041 -8.943 2.816 1.00 0.00 H new ATOM 877 N ALA A 56 10.708 -7.007 7.764 1.00 0.00 N ATOM 878 CA ALA A 56 9.725 -7.515 8.712 1.00 0.00 C ATOM 879 C ALA A 56 8.471 -6.653 8.687 1.00 0.00 C ATOM 880 O ALA A 56 7.355 -7.162 8.582 1.00 0.00 O ATOM 881 CB ALA A 56 10.313 -7.561 10.116 1.00 0.00 C ATOM 0 H ALA A 56 11.586 -6.708 8.188 1.00 0.00 H new ATOM 0 HA ALA A 56 9.454 -8.529 8.420 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.565 -7.943 10.811 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.184 -8.216 10.124 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.611 -6.557 10.419 1.00 0.00 H new ATOM 887 N ILE A 57 8.671 -5.341 8.762 1.00 0.00 N ATOM 888 CA ILE A 57 7.570 -4.388 8.704 1.00 0.00 C ATOM 889 C ILE A 57 6.805 -4.529 7.388 1.00 0.00 C ATOM 890 O ILE A 57 5.574 -4.583 7.373 1.00 0.00 O ATOM 891 CB ILE A 57 8.078 -2.934 8.846 1.00 0.00 C ATOM 892 CG1 ILE A 57 8.840 -2.758 10.166 1.00 0.00 C ATOM 893 CG2 ILE A 57 6.923 -1.944 8.759 1.00 0.00 C ATOM 894 CD1 ILE A 57 8.017 -3.073 11.396 1.00 0.00 C ATOM 0 H ILE A 57 9.591 -4.913 8.864 1.00 0.00 H new ATOM 0 HA ILE A 57 6.903 -4.610 9.537 1.00 0.00 H new ATOM 0 HB ILE A 57 8.761 -2.731 8.022 1.00 0.00 H new ATOM 0 HG12 ILE A 57 9.720 -3.402 10.155 1.00 0.00 H new ATOM 0 HG13 ILE A 57 9.198 -1.731 10.233 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.306 -0.929 8.862 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.426 -2.049 7.795 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.210 -2.146 9.558 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.625 -2.925 12.288 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.151 -2.412 11.433 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.681 -4.109 11.354 1.00 0.00 H new ATOM 906 N ALA A 58 7.546 -4.610 6.289 1.00 0.00 N ATOM 907 CA ALA A 58 6.952 -4.762 4.969 1.00 0.00 C ATOM 908 C ALA A 58 6.095 -6.022 4.890 1.00 0.00 C ATOM 909 O ALA A 58 5.016 -6.010 4.303 1.00 0.00 O ATOM 910 CB ALA A 58 8.035 -4.790 3.901 1.00 0.00 C ATOM 0 H ALA A 58 8.565 -4.573 6.288 1.00 0.00 H new ATOM 0 HA ALA A 58 6.304 -3.904 4.791 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.575 -4.904 2.919 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.600 -3.858 3.931 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.707 -5.628 4.086 1.00 0.00 H new ATOM 916 N ASN A 59 6.567 -7.103 5.498 1.00 0.00 N ATOM 917 CA ASN A 59 5.833 -8.364 5.474 1.00 0.00 C ATOM 918 C ASN A 59 4.600 -8.310 6.363 1.00 0.00 C ATOM 919 O ASN A 59 3.557 -8.850 6.002 1.00 0.00 O ATOM 920 CB ASN A 59 6.724 -9.539 5.879 1.00 0.00 C ATOM 921 CG ASN A 59 7.508 -10.098 4.707 1.00 0.00 C ATOM 922 OD1 ASN A 59 7.040 -10.994 4.004 1.00 0.00 O ATOM 923 ND2 ASN A 59 8.707 -9.582 4.491 1.00 0.00 N ATOM 0 H ASN A 59 7.448 -7.134 6.011 1.00 0.00 H new ATOM 0 HA ASN A 59 5.506 -8.520 4.446 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.417 -9.216 6.656 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.108 -10.328 6.310 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.279 -9.926 3.719 1.00 0.00 H new ATOM 0 HD22 ASN A 59 9.060 -8.840 5.096 1.00 0.00 H new ATOM 930 N SER A 60 4.708 -7.661 7.520 1.00 0.00 N ATOM 931 CA SER A 60 3.555 -7.512 8.400 1.00 0.00 C ATOM 932 C SER A 60 2.481 -6.653 7.730 1.00 0.00 C ATOM 933 O SER A 60 1.285 -6.865 7.933 1.00 0.00 O ATOM 934 CB SER A 60 3.966 -6.923 9.757 1.00 0.00 C ATOM 935 OG SER A 60 4.647 -5.687 9.617 1.00 0.00 O ATOM 0 H SER A 60 5.569 -7.236 7.865 1.00 0.00 H new ATOM 0 HA SER A 60 3.137 -8.501 8.585 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.079 -6.780 10.373 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.607 -7.632 10.281 1.00 0.00 H new ATOM 0 HG SER A 60 4.784 -5.495 8.666 1.00 0.00 H new ATOM 941 N PHE A 61 2.918 -5.700 6.913 1.00 0.00 N ATOM 942 CA PHE A 61 1.999 -4.880 6.136 1.00 0.00 C ATOM 943 C PHE A 61 1.400 -5.707 5.002 1.00 0.00 C ATOM 944 O PHE A 61 0.195 -5.663 4.755 1.00 0.00 O ATOM 945 CB PHE A 61 2.726 -3.649 5.576 1.00 0.00 C ATOM 946 CG PHE A 61 1.852 -2.743 4.755 1.00 0.00 C ATOM 947 CD1 PHE A 61 1.034 -1.803 5.365 1.00 0.00 C ATOM 948 CD2 PHE A 61 1.848 -2.832 3.371 1.00 0.00 C ATOM 949 CE1 PHE A 61 0.230 -0.971 4.610 1.00 0.00 C ATOM 950 CE2 PHE A 61 1.045 -2.002 2.613 1.00 0.00 C ATOM 951 CZ PHE A 61 0.235 -1.071 3.234 1.00 0.00 C ATOM 0 H PHE A 61 3.903 -5.477 6.773 1.00 0.00 H new ATOM 0 HA PHE A 61 1.194 -4.537 6.786 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.145 -3.079 6.405 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.563 -3.982 4.963 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.026 -1.721 6.442 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.479 -3.558 2.881 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.402 -0.243 5.097 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.050 -2.081 1.536 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.394 -0.422 2.643 1.00 0.00 H new ATOM 961 N ALA A 62 2.254 -6.471 4.327 1.00 0.00 N ATOM 962 CA ALA A 62 1.827 -7.324 3.224 1.00 0.00 C ATOM 963 C ALA A 62 0.803 -8.354 3.687 1.00 0.00 C ATOM 964 O ALA A 62 -0.239 -8.526 3.063 1.00 0.00 O ATOM 965 CB ALA A 62 3.026 -8.015 2.593 1.00 0.00 C ATOM 0 H ALA A 62 3.253 -6.516 4.527 1.00 0.00 H new ATOM 0 HA ALA A 62 1.352 -6.691 2.475 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.690 -8.648 1.771 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.720 -7.265 2.213 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.528 -8.628 3.341 1.00 0.00 H new ATOM 971 N ARG A 63 1.095 -9.030 4.791 1.00 0.00 N ATOM 972 CA ARG A 63 0.183 -10.037 5.320 1.00 0.00 C ATOM 973 C ARG A 63 -1.133 -9.402 5.754 1.00 0.00 C ATOM 974 O ARG A 63 -2.195 -10.002 5.600 1.00 0.00 O ATOM 975 CB ARG A 63 0.822 -10.804 6.478 1.00 0.00 C ATOM 976 CG ARG A 63 1.985 -11.681 6.044 1.00 0.00 C ATOM 977 CD ARG A 63 1.589 -12.595 4.892 1.00 0.00 C ATOM 978 NE ARG A 63 2.698 -13.438 4.450 1.00 0.00 N ATOM 979 CZ ARG A 63 3.101 -13.541 3.182 1.00 0.00 C ATOM 980 NH1 ARG A 63 2.506 -12.833 2.228 1.00 0.00 N ATOM 981 NH2 ARG A 63 4.101 -14.353 2.868 1.00 0.00 N ATOM 0 H ARG A 63 1.949 -8.901 5.334 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.029 -10.749 4.522 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.171 -10.094 7.228 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.065 -11.426 6.956 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.823 -11.053 5.742 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.325 -12.282 6.888 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.756 -13.226 5.201 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.238 -11.991 4.055 1.00 0.00 H new ATOM 0 HE ARG A 63 3.195 -13.982 5.155 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.736 -12.206 2.463 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.819 -12.916 1.261 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.562 -14.899 3.596 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.409 -14.432 1.899 1.00 0.00 H new ATOM 995 N ALA A 64 -1.061 -8.183 6.277 1.00 0.00 N ATOM 996 CA ALA A 64 -2.263 -7.438 6.631 1.00 0.00 C ATOM 997 C ALA A 64 -3.056 -7.097 5.376 1.00 0.00 C ATOM 998 O ALA A 64 -4.289 -7.120 5.377 1.00 0.00 O ATOM 999 CB ALA A 64 -1.904 -6.171 7.393 1.00 0.00 C ATOM 0 H ALA A 64 -0.187 -7.692 6.464 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.880 -8.062 7.278 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.815 -5.629 7.648 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.371 -6.435 8.306 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.269 -5.540 6.771 1.00 0.00 H new ATOM 1005 N LEU A 65 -2.335 -6.795 4.302 1.00 0.00 N ATOM 1006 CA LEU A 65 -2.951 -6.505 3.017 1.00 0.00 C ATOM 1007 C LEU A 65 -3.680 -7.737 2.488 1.00 0.00 C ATOM 1008 O LEU A 65 -4.849 -7.659 2.130 1.00 0.00 O ATOM 1009 CB LEU A 65 -1.892 -6.041 2.010 1.00 0.00 C ATOM 1010 CG LEU A 65 -2.424 -5.669 0.624 1.00 0.00 C ATOM 1011 CD1 LEU A 65 -3.374 -4.484 0.711 1.00 0.00 C ATOM 1012 CD2 LEU A 65 -1.272 -5.361 -0.321 1.00 0.00 C ATOM 0 H LEU A 65 -1.316 -6.745 4.299 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.676 -5.703 3.153 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.373 -5.177 2.426 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.152 -6.833 1.896 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.978 -6.521 0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.740 -4.237 -0.286 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.216 -4.739 1.354 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.847 -3.625 1.127 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.667 -5.098 -1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.692 -4.526 0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.631 -6.238 -0.411 1.00 0.00 H new ATOM 1024 N GLN A 66 -2.992 -8.876 2.462 1.00 0.00 N ATOM 1025 CA GLN A 66 -3.598 -10.132 2.016 1.00 0.00 C ATOM 1026 C GLN A 66 -4.846 -10.468 2.833 1.00 0.00 C ATOM 1027 O GLN A 66 -5.826 -10.987 2.300 1.00 0.00 O ATOM 1028 CB GLN A 66 -2.598 -11.290 2.119 1.00 0.00 C ATOM 1029 CG GLN A 66 -2.067 -11.776 0.776 1.00 0.00 C ATOM 1030 CD GLN A 66 -1.148 -10.781 0.100 1.00 0.00 C ATOM 1031 OE1 GLN A 66 -0.455 -10.010 0.756 1.00 0.00 O ATOM 1032 NE2 GLN A 66 -1.123 -10.804 -1.221 1.00 0.00 N ATOM 0 H GLN A 66 -2.015 -8.957 2.744 1.00 0.00 H new ATOM 0 HA GLN A 66 -3.885 -9.997 0.973 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.757 -10.976 2.738 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.077 -12.124 2.632 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -1.531 -12.714 0.923 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.908 -11.990 0.116 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.714 -11.460 -1.731 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.512 -10.166 -1.731 1.00 0.00 H new ATOM 1041 N SER A 67 -4.809 -10.151 4.121 1.00 0.00 N ATOM 1042 CA SER A 67 -5.902 -10.493 5.024 1.00 0.00 C ATOM 1043 C SER A 67 -7.100 -9.556 4.847 1.00 0.00 C ATOM 1044 O SER A 67 -8.203 -9.855 5.311 1.00 0.00 O ATOM 1045 CB SER A 67 -5.412 -10.448 6.474 1.00 0.00 C ATOM 1046 OG SER A 67 -4.260 -11.257 6.644 1.00 0.00 O ATOM 0 H SER A 67 -4.034 -9.658 4.564 1.00 0.00 H new ATOM 0 HA SER A 67 -6.233 -11.502 4.779 1.00 0.00 H new ATOM 0 HB2 SER A 67 -5.183 -9.419 6.753 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.204 -10.791 7.140 1.00 0.00 H new ATOM 0 HG SER A 67 -3.532 -10.911 6.086 1.00 0.00 H new ATOM 1052 N SER A 68 -6.889 -8.430 4.175 1.00 0.00 N ATOM 1053 CA SER A 68 -7.949 -7.447 3.996 1.00 0.00 C ATOM 1054 C SER A 68 -8.418 -7.380 2.543 1.00 0.00 C ATOM 1055 O SER A 68 -9.605 -7.200 2.280 1.00 0.00 O ATOM 1056 CB SER A 68 -7.476 -6.070 4.472 1.00 0.00 C ATOM 1057 OG SER A 68 -6.204 -5.751 3.935 1.00 0.00 O ATOM 0 H SER A 68 -5.998 -8.177 3.747 1.00 0.00 H new ATOM 0 HA SER A 68 -8.801 -7.760 4.600 1.00 0.00 H new ATOM 0 HB2 SER A 68 -8.200 -5.311 4.175 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.428 -6.055 5.561 1.00 0.00 H new ATOM 0 HG SER A 68 -5.520 -6.310 4.360 1.00 0.00 H new ATOM 1063 N ILE A 69 -7.485 -7.543 1.607 1.00 0.00 N ATOM 1064 CA ILE A 69 -7.799 -7.461 0.183 1.00 0.00 C ATOM 1065 C ILE A 69 -8.697 -8.620 -0.246 1.00 0.00 C ATOM 1066 O ILE A 69 -9.330 -8.580 -1.301 1.00 0.00 O ATOM 1067 CB ILE A 69 -6.521 -7.433 -0.685 1.00 0.00 C ATOM 1068 CG1 ILE A 69 -6.866 -7.022 -2.117 1.00 0.00 C ATOM 1069 CG2 ILE A 69 -5.824 -8.792 -0.671 1.00 0.00 C ATOM 1070 CD1 ILE A 69 -5.661 -6.892 -3.015 1.00 0.00 C ATOM 0 H ILE A 69 -6.504 -7.733 1.810 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.333 -6.524 0.027 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.835 -6.698 -0.265 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -7.548 -7.758 -2.543 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.397 -6.070 -2.095 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.927 -8.747 -1.289 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.548 -9.049 0.352 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -6.499 -9.551 -1.066 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.982 -6.598 -4.014 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.988 -6.135 -2.613 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.142 -7.849 -3.068 1.00 0.00 H new ATOM 1082 N ASN A 70 -8.729 -9.662 0.569 1.00 0.00 N ATOM 1083 CA ASN A 70 -9.704 -10.718 0.393 1.00 0.00 C ATOM 1084 C ASN A 70 -10.889 -10.409 1.293 1.00 0.00 C ATOM 1085 O ASN A 70 -11.033 -10.978 2.378 1.00 0.00 O ATOM 1086 CB ASN A 70 -9.110 -12.087 0.734 1.00 0.00 C ATOM 1087 CG ASN A 70 -9.970 -13.233 0.236 1.00 0.00 C ATOM 1088 OD1 ASN A 70 -10.580 -13.059 -0.928 1.00 0.00 O flip ATOM 1089 ND2 ASN A 70 -10.073 -14.276 0.881 1.00 0.00 N flip ATOM 0 H ASN A 70 -8.093 -9.796 1.355 1.00 0.00 H new ATOM 0 HA ASN A 70 -10.018 -10.761 -0.650 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -8.115 -12.167 0.297 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.991 -12.169 1.814 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.589 -14.374 1.773 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -10.643 -15.043 0.523 1.00 0.00 H new ATOM 1096 N GLU A 71 -11.700 -9.455 0.859 1.00 0.00 N ATOM 1097 CA GLU A 71 -12.747 -8.896 1.695 1.00 0.00 C ATOM 1098 C GLU A 71 -13.899 -9.878 1.909 1.00 0.00 C ATOM 1099 O GLU A 71 -14.766 -10.071 1.052 1.00 0.00 O ATOM 1100 CB GLU A 71 -13.234 -7.541 1.133 1.00 0.00 C ATOM 1101 CG GLU A 71 -14.045 -7.594 -0.164 1.00 0.00 C ATOM 1102 CD GLU A 71 -13.367 -8.349 -1.291 1.00 0.00 C ATOM 1103 OE1 GLU A 71 -12.147 -8.188 -1.485 1.00 0.00 O ATOM 1104 OE2 GLU A 71 -14.060 -9.103 -2.001 1.00 0.00 O ATOM 0 H GLU A 71 -11.650 -9.050 -0.076 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.319 -8.710 2.680 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.841 -7.053 1.896 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.363 -6.908 0.966 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -15.009 -8.060 0.042 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -14.248 -6.575 -0.495 1.00 0.00 H new ATOM 1111 N ASP A 72 -13.866 -10.529 3.060 1.00 0.00 N ATOM 1112 CA ASP A 72 -14.933 -11.421 3.475 1.00 0.00 C ATOM 1113 C ASP A 72 -14.788 -11.768 4.943 1.00 0.00 C ATOM 1114 O ASP A 72 -13.993 -12.632 5.317 1.00 0.00 O ATOM 1115 CB ASP A 72 -14.954 -12.706 2.648 1.00 0.00 C ATOM 1116 CG ASP A 72 -15.990 -13.685 3.161 1.00 0.00 C ATOM 1117 OD1 ASP A 72 -17.156 -13.281 3.346 1.00 0.00 O ATOM 1118 OD2 ASP A 72 -15.649 -14.867 3.383 1.00 0.00 O ATOM 0 H ASP A 72 -13.101 -10.454 3.730 1.00 0.00 H new ATOM 0 HA ASP A 72 -15.874 -10.897 3.312 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -15.165 -12.465 1.606 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -13.969 -13.172 2.674 1.00 0.00 H new ATOM 1123 N LYS A 73 -15.530 -11.069 5.777 1.00 0.00 N ATOM 1124 CA LYS A 73 -15.577 -11.386 7.190 1.00 0.00 C ATOM 1125 C LYS A 73 -16.598 -12.492 7.400 1.00 0.00 C ATOM 1126 O LYS A 73 -16.259 -13.602 7.810 1.00 0.00 O ATOM 1127 CB LYS A 73 -15.950 -10.147 8.004 1.00 0.00 C ATOM 1128 CG LYS A 73 -15.791 -10.327 9.502 1.00 0.00 C ATOM 1129 CD LYS A 73 -16.258 -9.092 10.257 1.00 0.00 C ATOM 1130 CE LYS A 73 -15.976 -9.200 11.746 1.00 0.00 C ATOM 1131 NZ LYS A 73 -16.587 -10.416 12.344 1.00 0.00 N ATOM 0 H LYS A 73 -16.110 -10.277 5.501 1.00 0.00 H new ATOM 0 HA LYS A 73 -14.596 -11.721 7.528 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -15.330 -9.311 7.680 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -16.984 -9.879 7.787 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -16.364 -11.195 9.829 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.746 -10.527 9.738 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -15.758 -8.210 9.856 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -17.327 -8.952 10.099 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.899 -9.218 11.910 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.361 -8.315 12.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.533 -10.358 13.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -17.583 -10.483 12.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.073 -11.259 12.017 1.00 0.00 H new ATOM 1145 N ALA A 74 -17.845 -12.179 7.075 1.00 0.00 N ATOM 1146 CA ALA A 74 -18.934 -13.142 7.103 1.00 0.00 C ATOM 1147 C ALA A 74 -20.175 -12.518 6.485 1.00 0.00 C ATOM 1148 O ALA A 74 -20.986 -11.911 7.184 1.00 0.00 O ATOM 1149 CB ALA A 74 -19.224 -13.611 8.525 1.00 0.00 C ATOM 0 H ALA A 74 -18.130 -11.244 6.783 1.00 0.00 H new ATOM 0 HA ALA A 74 -18.640 -14.017 6.524 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -20.043 -14.330 8.511 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -18.334 -14.083 8.941 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -19.503 -12.756 9.141 1.00 0.00 H new ATOM 1155 N HIS A 75 -20.307 -12.630 5.167 1.00 0.00 N ATOM 1156 CA HIS A 75 -21.434 -12.009 4.480 1.00 0.00 C ATOM 1157 C HIS A 75 -22.687 -12.875 4.600 1.00 0.00 C ATOM 1158 O HIS A 75 -22.992 -13.699 3.739 1.00 0.00 O ATOM 1159 CB HIS A 75 -21.105 -11.654 3.009 1.00 0.00 C ATOM 1160 CG HIS A 75 -20.673 -12.790 2.117 1.00 0.00 C ATOM 1161 ND1 HIS A 75 -19.360 -13.183 1.978 1.00 0.00 N ATOM 1162 CD2 HIS A 75 -21.386 -13.578 1.273 1.00 0.00 C ATOM 1163 CE1 HIS A 75 -19.284 -14.155 1.088 1.00 0.00 C ATOM 1164 NE2 HIS A 75 -20.496 -14.413 0.645 1.00 0.00 N ATOM 0 H HIS A 75 -19.660 -13.136 4.562 1.00 0.00 H new ATOM 0 HA HIS A 75 -21.639 -11.061 4.977 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -21.986 -11.190 2.566 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -20.315 -10.903 3.009 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -18.569 -12.785 2.484 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -22.455 -13.553 1.123 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -18.379 -14.655 0.776 1.00 0.00 H new ATOM 1173 N LEU A 76 -23.385 -12.703 5.712 1.00 0.00 N ATOM 1174 CA LEU A 76 -24.615 -13.431 5.975 1.00 0.00 C ATOM 1175 C LEU A 76 -25.796 -12.646 5.422 1.00 0.00 C ATOM 1176 O LEU A 76 -26.008 -11.486 5.780 1.00 0.00 O ATOM 1177 CB LEU A 76 -24.764 -13.675 7.487 1.00 0.00 C ATOM 1178 CG LEU A 76 -25.933 -14.576 7.918 1.00 0.00 C ATOM 1179 CD1 LEU A 76 -25.623 -15.237 9.255 1.00 0.00 C ATOM 1180 CD2 LEU A 76 -27.225 -13.777 8.033 1.00 0.00 C ATOM 0 H LEU A 76 -23.116 -12.057 6.454 1.00 0.00 H new ATOM 0 HA LEU A 76 -24.585 -14.401 5.479 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -23.838 -14.116 7.856 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -24.876 -12.709 7.980 1.00 0.00 H new ATOM 0 HG LEU A 76 -26.064 -15.343 7.155 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -26.458 -15.872 9.549 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -24.722 -15.843 9.161 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -25.467 -14.469 10.013 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -28.036 -14.438 8.339 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -27.100 -12.988 8.775 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -27.465 -13.332 7.067 1.00 0.00 H new ATOM 1192 N GLU A 77 -26.551 -13.281 4.544 1.00 0.00 N ATOM 1193 CA GLU A 77 -27.672 -12.632 3.888 1.00 0.00 C ATOM 1194 C GLU A 77 -28.955 -13.405 4.180 1.00 0.00 C ATOM 1195 O GLU A 77 -28.920 -14.399 4.906 1.00 0.00 O ATOM 1196 CB GLU A 77 -27.407 -12.565 2.381 1.00 0.00 C ATOM 1197 CG GLU A 77 -27.624 -11.186 1.775 1.00 0.00 C ATOM 1198 CD GLU A 77 -29.085 -10.866 1.537 1.00 0.00 C ATOM 1199 OE1 GLU A 77 -29.785 -10.477 2.496 1.00 0.00 O ATOM 1200 OE2 GLU A 77 -29.542 -10.998 0.385 1.00 0.00 O ATOM 0 H GLU A 77 -26.407 -14.252 4.267 1.00 0.00 H new ATOM 0 HA GLU A 77 -27.788 -11.617 4.268 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -26.381 -12.878 2.189 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -28.058 -13.279 1.876 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -27.196 -10.433 2.437 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -27.085 -11.122 0.830 1.00 0.00 H new ATOM 1207 N HIS A 78 -30.070 -12.937 3.614 1.00 0.00 N ATOM 1208 CA HIS A 78 -31.380 -13.577 3.773 1.00 0.00 C ATOM 1209 C HIS A 78 -31.943 -13.313 5.162 1.00 0.00 C ATOM 1210 O HIS A 78 -31.575 -13.972 6.138 1.00 0.00 O ATOM 1211 CB HIS A 78 -31.315 -15.088 3.500 1.00 0.00 C ATOM 1212 CG HIS A 78 -30.859 -15.433 2.115 1.00 0.00 C ATOM 1213 ND1 HIS A 78 -29.602 -15.928 1.831 1.00 0.00 N ATOM 1214 CD2 HIS A 78 -31.503 -15.348 0.926 1.00 0.00 C ATOM 1215 CE1 HIS A 78 -29.496 -16.133 0.531 1.00 0.00 C ATOM 1216 NE2 HIS A 78 -30.634 -15.789 -0.039 1.00 0.00 N ATOM 0 H HIS A 78 -30.091 -12.101 3.030 1.00 0.00 H new ATOM 0 HA HIS A 78 -32.048 -13.136 3.033 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -30.639 -15.549 4.220 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -32.302 -15.521 3.666 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -32.512 -14.998 0.768 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -28.625 -16.517 0.021 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -30.836 -15.842 -1.037 1.00 0.00 H new ATOM 1225 N HIS A 79 -32.832 -12.335 5.247 1.00 0.00 N ATOM 1226 CA HIS A 79 -33.416 -11.954 6.524 1.00 0.00 C ATOM 1227 C HIS A 79 -34.617 -12.834 6.833 1.00 0.00 C ATOM 1228 O HIS A 79 -35.021 -12.968 7.987 1.00 0.00 O ATOM 1229 CB HIS A 79 -33.828 -10.478 6.520 1.00 0.00 C ATOM 1230 CG HIS A 79 -32.715 -9.543 6.155 1.00 0.00 C ATOM 1231 ND1 HIS A 79 -31.477 -9.565 6.760 1.00 0.00 N ATOM 1232 CD2 HIS A 79 -32.656 -8.565 5.224 1.00 0.00 C ATOM 1233 CE1 HIS A 79 -30.708 -8.639 6.218 1.00 0.00 C ATOM 1234 NE2 HIS A 79 -31.401 -8.022 5.284 1.00 0.00 N ATOM 0 H HIS A 79 -33.164 -11.792 4.450 1.00 0.00 H new ATOM 0 HA HIS A 79 -32.663 -12.094 7.300 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -34.650 -10.341 5.818 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -34.205 -10.212 7.508 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -33.451 -8.267 4.557 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -29.686 -8.424 6.493 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -31.057 -7.261 4.698 1.00 0.00 H new ATOM 1243 N HIS A 80 -35.183 -13.439 5.794 1.00 0.00 N ATOM 1244 CA HIS A 80 -36.287 -14.367 5.970 1.00 0.00 C ATOM 1245 C HIS A 80 -35.745 -15.767 6.193 1.00 0.00 C ATOM 1246 O HIS A 80 -35.200 -16.380 5.276 1.00 0.00 O ATOM 1247 CB HIS A 80 -37.218 -14.385 4.751 1.00 0.00 C ATOM 1248 CG HIS A 80 -37.979 -13.119 4.517 1.00 0.00 C ATOM 1249 ND1 HIS A 80 -38.514 -12.790 3.292 1.00 0.00 N ATOM 1250 CD2 HIS A 80 -38.317 -12.113 5.354 1.00 0.00 C ATOM 1251 CE1 HIS A 80 -39.147 -11.639 3.385 1.00 0.00 C ATOM 1252 NE2 HIS A 80 -39.042 -11.204 4.625 1.00 0.00 N ATOM 0 H HIS A 80 -34.894 -13.302 4.825 1.00 0.00 H new ATOM 0 HA HIS A 80 -36.861 -14.035 6.835 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -36.625 -14.604 3.863 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -37.930 -15.202 4.868 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -38.064 -12.038 6.401 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -39.665 -11.136 2.581 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -39.435 -10.334 4.984 1.00 0.00 H new ATOM 1261 N HIS A 81 -35.882 -16.273 7.401 1.00 0.00 N ATOM 1262 CA HIS A 81 -35.463 -17.636 7.685 1.00 0.00 C ATOM 1263 C HIS A 81 -36.592 -18.604 7.368 1.00 0.00 C ATOM 1264 O HIS A 81 -37.139 -19.275 8.245 1.00 0.00 O ATOM 1265 CB HIS A 81 -34.986 -17.780 9.128 1.00 0.00 C ATOM 1266 CG HIS A 81 -33.615 -17.213 9.347 1.00 0.00 C ATOM 1267 ND1 HIS A 81 -33.383 -15.967 9.889 1.00 0.00 N ATOM 1268 CD2 HIS A 81 -32.393 -17.734 9.077 1.00 0.00 C ATOM 1269 CE1 HIS A 81 -32.083 -15.745 9.938 1.00 0.00 C ATOM 1270 NE2 HIS A 81 -31.457 -16.801 9.453 1.00 0.00 N ATOM 0 H HIS A 81 -36.275 -15.770 8.196 1.00 0.00 H new ATOM 0 HA HIS A 81 -34.615 -17.880 7.045 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -35.691 -17.279 9.791 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -34.986 -18.835 9.402 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -32.192 -18.704 8.646 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -31.610 -14.849 10.312 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -30.446 -16.907 9.371 1.00 0.00 H new ATOM 1279 N HIS A 82 -36.946 -18.630 6.094 1.00 0.00 N ATOM 1280 CA HIS A 82 -37.996 -19.486 5.572 1.00 0.00 C ATOM 1281 C HIS A 82 -37.795 -19.620 4.071 1.00 0.00 C ATOM 1282 O HIS A 82 -37.451 -18.642 3.404 1.00 0.00 O ATOM 1283 CB HIS A 82 -39.378 -18.890 5.872 1.00 0.00 C ATOM 1284 CG HIS A 82 -40.517 -19.832 5.629 1.00 0.00 C ATOM 1285 ND1 HIS A 82 -41.059 -20.616 6.622 1.00 0.00 N ATOM 1286 CD2 HIS A 82 -41.224 -20.110 4.506 1.00 0.00 C ATOM 1287 CE1 HIS A 82 -42.048 -21.335 6.125 1.00 0.00 C ATOM 1288 NE2 HIS A 82 -42.169 -21.046 4.842 1.00 0.00 N ATOM 0 H HIS A 82 -36.504 -18.047 5.383 1.00 0.00 H new ATOM 0 HA HIS A 82 -37.946 -20.465 6.048 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -39.404 -18.566 6.913 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -39.519 -18.000 5.258 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -41.072 -19.676 3.529 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -42.655 -22.040 6.674 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -42.854 -21.453 4.205 1.00 0.00 H new ATOM 1297 N HIS A 83 -37.982 -20.815 3.544 1.00 0.00 N ATOM 1298 CA HIS A 83 -37.785 -21.047 2.123 1.00 0.00 C ATOM 1299 C HIS A 83 -39.133 -21.155 1.426 1.00 0.00 C ATOM 1300 O HIS A 83 -39.712 -20.104 1.082 1.00 0.00 O ATOM 1301 CB HIS A 83 -36.969 -22.322 1.895 1.00 0.00 C ATOM 1302 CG HIS A 83 -36.414 -22.439 0.508 1.00 0.00 C ATOM 1303 ND1 HIS A 83 -37.183 -22.725 -0.599 1.00 0.00 N ATOM 1304 CD2 HIS A 83 -35.149 -22.296 0.053 1.00 0.00 C ATOM 1305 CE1 HIS A 83 -36.415 -22.754 -1.670 1.00 0.00 C ATOM 1306 NE2 HIS A 83 -35.176 -22.496 -1.303 1.00 0.00 N ATOM 1307 OXT HIS A 83 -39.612 -22.291 1.235 1.00 0.00 O ATOM 0 H HIS A 83 -38.269 -21.638 4.074 1.00 0.00 H new ATOM 0 HA HIS A 83 -37.233 -20.206 1.704 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -36.147 -22.350 2.610 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -37.599 -23.188 2.100 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -38.190 -22.889 -0.591 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -34.278 -22.066 0.648 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -36.746 -22.955 -2.678 1.00 0.00 H new TER 1316 HIS A 83 ATOM 1317 N MET B 1 18.006 8.145 -13.987 1.00 0.00 N ATOM 1318 CA MET B 1 17.069 7.510 -13.029 1.00 0.00 C ATOM 1319 C MET B 1 17.249 5.995 -13.037 1.00 0.00 C ATOM 1320 O MET B 1 17.304 5.381 -14.102 1.00 0.00 O ATOM 1321 CB MET B 1 15.615 7.846 -13.387 1.00 0.00 C ATOM 1322 CG MET B 1 15.265 9.320 -13.271 1.00 0.00 C ATOM 1323 SD MET B 1 13.559 9.663 -13.746 1.00 0.00 S ATOM 1324 CE MET B 1 13.480 11.433 -13.481 1.00 0.00 C ATOM 0 H1 MET B 1 17.982 9.177 -13.863 1.00 0.00 H new ATOM 0 H2 MET B 1 18.970 7.797 -13.812 1.00 0.00 H new ATOM 0 H3 MET B 1 17.723 7.906 -14.959 1.00 0.00 H new ATOM 0 HA MET B 1 17.291 7.899 -12.035 1.00 0.00 H new ATOM 0 HB2 MET B 1 15.420 7.518 -14.408 1.00 0.00 H new ATOM 0 HB3 MET B 1 14.952 7.275 -12.737 1.00 0.00 H new ATOM 0 HG2 MET B 1 15.426 9.649 -12.244 1.00 0.00 H new ATOM 0 HG3 MET B 1 15.938 9.901 -13.901 1.00 0.00 H new ATOM 0 HE1 MET B 1 12.483 11.794 -13.732 1.00 0.00 H new ATOM 0 HE2 MET B 1 13.693 11.654 -12.435 1.00 0.00 H new ATOM 0 HE3 MET B 1 14.216 11.929 -14.114 1.00 0.00 H new ATOM 1336 N PRO B 2 17.346 5.366 -11.853 1.00 0.00 N ATOM 1337 CA PRO B 2 17.465 3.905 -11.741 1.00 0.00 C ATOM 1338 C PRO B 2 16.240 3.204 -12.319 1.00 0.00 C ATOM 1339 O PRO B 2 16.349 2.186 -13.007 1.00 0.00 O ATOM 1340 CB PRO B 2 17.571 3.658 -10.230 1.00 0.00 C ATOM 1341 CG PRO B 2 17.040 4.896 -9.591 1.00 0.00 C ATOM 1342 CD PRO B 2 17.349 6.022 -10.537 1.00 0.00 C ATOM 0 HA PRO B 2 18.318 3.514 -12.295 1.00 0.00 H new ATOM 0 HB2 PRO B 2 16.993 2.783 -9.933 1.00 0.00 H new ATOM 0 HB3 PRO B 2 18.603 3.474 -9.933 1.00 0.00 H new ATOM 0 HG2 PRO B 2 15.967 4.816 -9.419 1.00 0.00 H new ATOM 0 HG3 PRO B 2 17.507 5.064 -8.620 1.00 0.00 H new ATOM 0 HD2 PRO B 2 16.601 6.813 -10.480 1.00 0.00 H new ATOM 0 HD3 PRO B 2 18.314 6.479 -10.317 1.00 0.00 H new ATOM 1350 N GLN B 3 15.079 3.772 -12.039 1.00 0.00 N ATOM 1351 CA GLN B 3 13.822 3.310 -12.599 1.00 0.00 C ATOM 1352 C GLN B 3 13.128 4.491 -13.261 1.00 0.00 C ATOM 1353 O GLN B 3 12.997 5.552 -12.653 1.00 0.00 O ATOM 1354 CB GLN B 3 12.929 2.715 -11.507 1.00 0.00 C ATOM 1355 CG GLN B 3 13.492 1.455 -10.870 1.00 0.00 C ATOM 1356 CD GLN B 3 12.698 1.016 -9.657 1.00 0.00 C ATOM 1357 OE1 GLN B 3 12.134 1.838 -8.938 1.00 0.00 O ATOM 1358 NE2 GLN B 3 12.638 -0.283 -9.427 1.00 0.00 N ATOM 0 H GLN B 3 14.983 4.571 -11.413 1.00 0.00 H new ATOM 0 HA GLN B 3 14.014 2.528 -13.334 1.00 0.00 H new ATOM 0 HB2 GLN B 3 12.773 3.464 -10.731 1.00 0.00 H new ATOM 0 HB3 GLN B 3 11.952 2.489 -11.933 1.00 0.00 H new ATOM 0 HG2 GLN B 3 13.499 0.651 -11.606 1.00 0.00 H new ATOM 0 HG3 GLN B 3 14.528 1.630 -10.579 1.00 0.00 H new ATOM 0 HE21 GLN B 3 13.120 -0.934 -10.047 1.00 0.00 H new ATOM 0 HE22 GLN B 3 12.110 -0.636 -8.629 1.00 0.00 H new ATOM 1367 N ILE B 4 12.717 4.327 -14.508 1.00 0.00 N ATOM 1368 CA ILE B 4 12.098 5.424 -15.236 1.00 0.00 C ATOM 1369 C ILE B 4 10.589 5.246 -15.319 1.00 0.00 C ATOM 1370 O ILE B 4 10.088 4.136 -15.522 1.00 0.00 O ATOM 1371 CB ILE B 4 12.680 5.575 -16.660 1.00 0.00 C ATOM 1372 CG1 ILE B 4 12.495 4.283 -17.466 1.00 0.00 C ATOM 1373 CG2 ILE B 4 14.153 5.959 -16.590 1.00 0.00 C ATOM 1374 CD1 ILE B 4 12.923 4.404 -18.912 1.00 0.00 C ATOM 0 H ILE B 4 12.799 3.456 -15.033 1.00 0.00 H new ATOM 0 HA ILE B 4 12.321 6.333 -14.677 1.00 0.00 H new ATOM 0 HB ILE B 4 12.137 6.370 -17.171 1.00 0.00 H new ATOM 0 HG12 ILE B 4 13.066 3.484 -16.992 1.00 0.00 H new ATOM 0 HG13 ILE B 4 11.446 3.989 -17.430 1.00 0.00 H new ATOM 0 HG21 ILE B 4 14.551 6.062 -17.600 1.00 0.00 H new ATOM 0 HG22 ILE B 4 14.257 6.906 -16.060 1.00 0.00 H new ATOM 0 HG23 ILE B 4 14.706 5.184 -16.060 1.00 0.00 H new ATOM 0 HD11 ILE B 4 12.764 3.453 -19.419 1.00 0.00 H new ATOM 0 HD12 ILE B 4 12.334 5.180 -19.402 1.00 0.00 H new ATOM 0 HD13 ILE B 4 13.980 4.667 -18.958 1.00 0.00 H new ATOM 1386 N SER B 5 9.868 6.337 -15.140 1.00 0.00 N ATOM 1387 CA SER B 5 8.423 6.323 -15.250 1.00 0.00 C ATOM 1388 C SER B 5 7.996 6.638 -16.678 1.00 0.00 C ATOM 1389 O SER B 5 8.452 7.615 -17.266 1.00 0.00 O ATOM 1390 CB SER B 5 7.822 7.328 -14.266 1.00 0.00 C ATOM 1391 OG SER B 5 8.764 8.334 -13.915 1.00 0.00 O ATOM 0 H SER B 5 10.264 7.250 -14.916 1.00 0.00 H new ATOM 0 HA SER B 5 8.054 5.328 -15.001 1.00 0.00 H new ATOM 0 HB2 SER B 5 6.940 7.791 -14.709 1.00 0.00 H new ATOM 0 HB3 SER B 5 7.491 6.807 -13.367 1.00 0.00 H new ATOM 0 HG SER B 5 8.912 8.926 -14.682 1.00 0.00 H new ATOM 1397 N ARG B 6 7.142 5.787 -17.244 1.00 0.00 N ATOM 1398 CA ARG B 6 6.647 6.001 -18.601 1.00 0.00 C ATOM 1399 C ARG B 6 5.747 7.230 -18.646 1.00 0.00 C ATOM 1400 O ARG B 6 5.688 7.939 -19.648 1.00 0.00 O ATOM 1401 CB ARG B 6 5.880 4.780 -19.114 1.00 0.00 C ATOM 1402 CG ARG B 6 5.456 4.921 -20.566 1.00 0.00 C ATOM 1403 CD ARG B 6 4.611 3.751 -21.040 1.00 0.00 C ATOM 1404 NE ARG B 6 4.279 3.883 -22.457 1.00 0.00 N ATOM 1405 CZ ARG B 6 3.101 3.558 -22.987 1.00 0.00 C ATOM 1406 NH1 ARG B 6 2.131 3.063 -22.224 1.00 0.00 N ATOM 1407 NH2 ARG B 6 2.894 3.731 -24.287 1.00 0.00 N ATOM 0 H ARG B 6 6.781 4.949 -16.788 1.00 0.00 H new ATOM 0 HA ARG B 6 7.510 6.159 -19.248 1.00 0.00 H new ATOM 0 HB2 ARG B 6 6.504 3.893 -19.007 1.00 0.00 H new ATOM 0 HB3 ARG B 6 4.996 4.625 -18.495 1.00 0.00 H new ATOM 0 HG2 ARG B 6 4.892 5.846 -20.689 1.00 0.00 H new ATOM 0 HG3 ARG B 6 6.343 5.003 -21.194 1.00 0.00 H new ATOM 0 HD2 ARG B 6 5.150 2.818 -20.875 1.00 0.00 H new ATOM 0 HD3 ARG B 6 3.695 3.698 -20.452 1.00 0.00 H new ATOM 0 HE ARG B 6 4.997 4.248 -23.082 1.00 0.00 H new ATOM 0 HH11 ARG B 6 2.286 2.930 -21.225 1.00 0.00 H new ATOM 0 HH12 ARG B 6 1.232 2.817 -22.638 1.00 0.00 H new ATOM 0 HH21 ARG B 6 3.635 4.111 -24.875 1.00 0.00 H new ATOM 0 HH22 ARG B 6 1.994 3.484 -24.697 1.00 0.00 H new ATOM 1421 N TYR B 7 5.047 7.472 -17.545 1.00 0.00 N ATOM 1422 CA TYR B 7 4.221 8.662 -17.412 1.00 0.00 C ATOM 1423 C TYR B 7 5.107 9.869 -17.149 1.00 0.00 C ATOM 1424 O TYR B 7 6.325 9.731 -17.027 1.00 0.00 O ATOM 1425 CB TYR B 7 3.206 8.492 -16.278 1.00 0.00 C ATOM 1426 CG TYR B 7 2.208 7.382 -16.516 1.00 0.00 C ATOM 1427 CD1 TYR B 7 1.073 7.598 -17.286 1.00 0.00 C ATOM 1428 CD2 TYR B 7 2.398 6.120 -15.966 1.00 0.00 C ATOM 1429 CE1 TYR B 7 0.158 6.588 -17.506 1.00 0.00 C ATOM 1430 CE2 TYR B 7 1.488 5.104 -16.182 1.00 0.00 C ATOM 1431 CZ TYR B 7 0.369 5.344 -16.949 1.00 0.00 C ATOM 1432 OH TYR B 7 -0.542 4.335 -17.162 1.00 0.00 O ATOM 0 H TYR B 7 5.036 6.858 -16.731 1.00 0.00 H new ATOM 0 HA TYR B 7 3.670 8.815 -18.340 1.00 0.00 H new ATOM 0 HB2 TYR B 7 3.742 8.294 -15.350 1.00 0.00 H new ATOM 0 HB3 TYR B 7 2.667 9.430 -16.141 1.00 0.00 H new ATOM 0 HD1 TYR B 7 0.903 8.572 -17.720 1.00 0.00 H new ATOM 0 HD2 TYR B 7 3.272 5.931 -15.360 1.00 0.00 H new ATOM 0 HE1 TYR B 7 -0.718 6.771 -18.111 1.00 0.00 H new ATOM 0 HE2 TYR B 7 1.653 4.127 -15.752 1.00 0.00 H new ATOM 0 HH TYR B 7 -0.244 3.523 -16.701 1.00 0.00 H new ATOM 1442 N SER B 8 4.503 11.038 -17.056 1.00 0.00 N ATOM 1443 CA SER B 8 5.250 12.262 -16.834 1.00 0.00 C ATOM 1444 C SER B 8 5.950 12.224 -15.478 1.00 0.00 C ATOM 1445 O SER B 8 5.303 12.357 -14.439 1.00 0.00 O ATOM 1446 CB SER B 8 4.308 13.460 -16.918 1.00 0.00 C ATOM 1447 OG SER B 8 3.574 13.435 -18.132 1.00 0.00 O ATOM 0 H SER B 8 3.494 11.166 -17.131 1.00 0.00 H new ATOM 0 HA SER B 8 6.014 12.357 -17.606 1.00 0.00 H new ATOM 0 HB2 SER B 8 3.621 13.449 -16.072 1.00 0.00 H new ATOM 0 HB3 SER B 8 4.881 14.385 -16.852 1.00 0.00 H new ATOM 0 HG SER B 8 2.974 14.209 -18.168 1.00 0.00 H new ATOM 1453 N ASP B 9 7.268 12.025 -15.500 1.00 0.00 N ATOM 1454 CA ASP B 9 8.071 11.936 -14.277 1.00 0.00 C ATOM 1455 C ASP B 9 7.810 13.144 -13.393 1.00 0.00 C ATOM 1456 O ASP B 9 7.630 13.021 -12.183 1.00 0.00 O ATOM 1457 CB ASP B 9 9.567 11.877 -14.608 1.00 0.00 C ATOM 1458 CG ASP B 9 9.874 11.014 -15.813 1.00 0.00 C ATOM 1459 OD1 ASP B 9 10.092 9.798 -15.647 1.00 0.00 O ATOM 1460 OD2 ASP B 9 9.894 11.559 -16.941 1.00 0.00 O ATOM 0 H ASP B 9 7.808 11.921 -16.359 1.00 0.00 H new ATOM 0 HA ASP B 9 7.785 11.023 -13.754 1.00 0.00 H new ATOM 0 HB2 ASP B 9 9.933 12.888 -14.789 1.00 0.00 H new ATOM 0 HB3 ASP B 9 10.109 11.492 -13.745 1.00 0.00 H new ATOM 1465 N GLU B 10 7.781 14.309 -14.030 1.00 0.00 N ATOM 1466 CA GLU B 10 7.476 15.566 -13.360 1.00 0.00 C ATOM 1467 C GLU B 10 6.162 15.473 -12.591 1.00 0.00 C ATOM 1468 O GLU B 10 6.094 15.799 -11.407 1.00 0.00 O ATOM 1469 CB GLU B 10 7.391 16.681 -14.401 1.00 0.00 C ATOM 1470 CG GLU B 10 6.959 18.025 -13.844 1.00 0.00 C ATOM 1471 CD GLU B 10 6.829 19.067 -14.928 1.00 0.00 C ATOM 1472 OE1 GLU B 10 7.832 19.747 -15.221 1.00 0.00 O ATOM 1473 OE2 GLU B 10 5.734 19.193 -15.517 1.00 0.00 O ATOM 0 H GLU B 10 7.969 14.408 -15.028 1.00 0.00 H new ATOM 0 HA GLU B 10 8.270 15.784 -12.645 1.00 0.00 H new ATOM 0 HB2 GLU B 10 8.366 16.794 -14.875 1.00 0.00 H new ATOM 0 HB3 GLU B 10 6.690 16.382 -15.180 1.00 0.00 H new ATOM 0 HG2 GLU B 10 6.004 17.915 -13.330 1.00 0.00 H new ATOM 0 HG3 GLU B 10 7.684 18.361 -13.102 1.00 0.00 H new ATOM 1480 N GLN B 11 5.123 15.007 -13.270 1.00 0.00 N ATOM 1481 CA GLN B 11 3.801 14.928 -12.676 1.00 0.00 C ATOM 1482 C GLN B 11 3.773 13.870 -11.575 1.00 0.00 C ATOM 1483 O GLN B 11 3.132 14.061 -10.541 1.00 0.00 O ATOM 1484 CB GLN B 11 2.756 14.616 -13.747 1.00 0.00 C ATOM 1485 CG GLN B 11 1.335 14.927 -13.310 1.00 0.00 C ATOM 1486 CD GLN B 11 1.120 16.402 -13.011 1.00 0.00 C ATOM 1487 OE1 GLN B 11 0.318 16.759 -12.151 1.00 0.00 O ATOM 1488 NE2 GLN B 11 1.817 17.272 -13.727 1.00 0.00 N ATOM 0 H GLN B 11 5.173 14.678 -14.234 1.00 0.00 H new ATOM 0 HA GLN B 11 3.562 15.893 -12.230 1.00 0.00 H new ATOM 0 HB2 GLN B 11 2.985 15.188 -14.646 1.00 0.00 H new ATOM 0 HB3 GLN B 11 2.824 13.561 -14.014 1.00 0.00 H new ATOM 0 HG2 GLN B 11 0.643 14.615 -14.092 1.00 0.00 H new ATOM 0 HG3 GLN B 11 1.097 14.342 -12.421 1.00 0.00 H new ATOM 0 HE21 GLN B 11 2.474 16.941 -14.433 1.00 0.00 H new ATOM 0 HE22 GLN B 11 1.696 18.273 -13.572 1.00 0.00 H new ATOM 1497 N VAL B 12 4.486 12.767 -11.797 1.00 0.00 N ATOM 1498 CA VAL B 12 4.590 11.700 -10.806 1.00 0.00 C ATOM 1499 C VAL B 12 5.240 12.215 -9.526 1.00 0.00 C ATOM 1500 O VAL B 12 4.692 12.057 -8.434 1.00 0.00 O ATOM 1501 CB VAL B 12 5.405 10.495 -11.338 1.00 0.00 C ATOM 1502 CG1 VAL B 12 5.585 9.434 -10.255 1.00 0.00 C ATOM 1503 CG2 VAL B 12 4.734 9.894 -12.564 1.00 0.00 C ATOM 0 H VAL B 12 5.002 12.590 -12.659 1.00 0.00 H new ATOM 0 HA VAL B 12 3.574 11.365 -10.595 1.00 0.00 H new ATOM 0 HB VAL B 12 6.392 10.858 -11.625 1.00 0.00 H new ATOM 0 HG11 VAL B 12 6.161 8.599 -10.655 1.00 0.00 H new ATOM 0 HG12 VAL B 12 6.115 9.866 -9.406 1.00 0.00 H new ATOM 0 HG13 VAL B 12 4.608 9.078 -9.929 1.00 0.00 H new ATOM 0 HG21 VAL B 12 5.322 9.049 -12.923 1.00 0.00 H new ATOM 0 HG22 VAL B 12 3.732 9.554 -12.301 1.00 0.00 H new ATOM 0 HG23 VAL B 12 4.667 10.648 -13.348 1.00 0.00 H new ATOM 1513 N GLU B 13 6.402 12.846 -9.667 1.00 0.00 N ATOM 1514 CA GLU B 13 7.143 13.343 -8.514 1.00 0.00 C ATOM 1515 C GLU B 13 6.391 14.480 -7.827 1.00 0.00 C ATOM 1516 O GLU B 13 6.470 14.634 -6.607 1.00 0.00 O ATOM 1517 CB GLU B 13 8.546 13.802 -8.919 1.00 0.00 C ATOM 1518 CG GLU B 13 9.400 12.693 -9.514 1.00 0.00 C ATOM 1519 CD GLU B 13 10.850 13.099 -9.688 1.00 0.00 C ATOM 1520 OE1 GLU B 13 11.147 13.899 -10.600 1.00 0.00 O ATOM 1521 OE2 GLU B 13 11.701 12.612 -8.913 1.00 0.00 O ATOM 0 H GLU B 13 6.849 13.025 -10.566 1.00 0.00 H new ATOM 0 HA GLU B 13 7.242 12.520 -7.806 1.00 0.00 H new ATOM 0 HB2 GLU B 13 8.460 14.611 -9.644 1.00 0.00 H new ATOM 0 HB3 GLU B 13 9.053 14.210 -8.044 1.00 0.00 H new ATOM 0 HG2 GLU B 13 9.348 11.815 -8.870 1.00 0.00 H new ATOM 0 HG3 GLU B 13 8.990 12.404 -10.481 1.00 0.00 H new ATOM 1528 N GLN B 14 5.659 15.270 -8.605 1.00 0.00 N ATOM 1529 CA GLN B 14 4.847 16.341 -8.039 1.00 0.00 C ATOM 1530 C GLN B 14 3.695 15.755 -7.231 1.00 0.00 C ATOM 1531 O GLN B 14 3.458 16.159 -6.096 1.00 0.00 O ATOM 1532 CB GLN B 14 4.299 17.256 -9.133 1.00 0.00 C ATOM 1533 CG GLN B 14 3.591 18.485 -8.584 1.00 0.00 C ATOM 1534 CD GLN B 14 2.958 19.339 -9.662 1.00 0.00 C ATOM 1535 OE1 GLN B 14 2.489 18.704 -10.724 1.00 0.00 O flip ATOM 1536 NE2 GLN B 14 2.874 20.560 -9.533 1.00 0.00 N flip ATOM 0 H GLN B 14 5.611 15.190 -9.621 1.00 0.00 H new ATOM 0 HA GLN B 14 5.484 16.935 -7.383 1.00 0.00 H new ATOM 0 HB2 GLN B 14 5.119 17.574 -9.777 1.00 0.00 H new ATOM 0 HB3 GLN B 14 3.605 16.692 -9.756 1.00 0.00 H new ATOM 0 HG2 GLN B 14 2.821 18.169 -7.881 1.00 0.00 H new ATOM 0 HG3 GLN B 14 4.306 19.088 -8.024 1.00 0.00 H new ATOM 0 HE21 GLN B 14 3.248 21.012 -8.699 1.00 0.00 H new ATOM 0 HE22 GLN B 14 2.430 21.120 -10.261 1.00 0.00 H new ATOM 1545 N LEU B 15 2.992 14.791 -7.825 1.00 0.00 N ATOM 1546 CA LEU B 15 1.890 14.105 -7.153 1.00 0.00 C ATOM 1547 C LEU B 15 2.384 13.441 -5.873 1.00 0.00 C ATOM 1548 O LEU B 15 1.724 13.490 -4.833 1.00 0.00 O ATOM 1549 CB LEU B 15 1.275 13.058 -8.089 1.00 0.00 C ATOM 1550 CG LEU B 15 0.155 12.207 -7.485 1.00 0.00 C ATOM 1551 CD1 LEU B 15 -1.022 13.077 -7.074 1.00 0.00 C ATOM 1552 CD2 LEU B 15 -0.289 11.137 -8.472 1.00 0.00 C ATOM 0 H LEU B 15 3.168 14.466 -8.776 1.00 0.00 H new ATOM 0 HA LEU B 15 1.126 14.838 -6.893 1.00 0.00 H new ATOM 0 HB2 LEU B 15 0.884 13.569 -8.969 1.00 0.00 H new ATOM 0 HB3 LEU B 15 2.068 12.393 -8.432 1.00 0.00 H new ATOM 0 HG LEU B 15 0.541 11.716 -6.592 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.806 12.451 -6.647 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -0.695 13.805 -6.332 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.411 13.600 -7.948 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.086 10.540 -8.028 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.655 11.611 -9.382 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.556 10.492 -8.714 1.00 0.00 H new ATOM 1564 N LEU B 16 3.557 12.831 -5.965 1.00 0.00 N ATOM 1565 CA LEU B 16 4.199 12.206 -4.819 1.00 0.00 C ATOM 1566 C LEU B 16 4.425 13.250 -3.727 1.00 0.00 C ATOM 1567 O LEU B 16 4.131 13.018 -2.552 1.00 0.00 O ATOM 1568 CB LEU B 16 5.532 11.591 -5.265 1.00 0.00 C ATOM 1569 CG LEU B 16 6.049 10.401 -4.446 1.00 0.00 C ATOM 1570 CD1 LEU B 16 7.236 9.773 -5.153 1.00 0.00 C ATOM 1571 CD2 LEU B 16 6.448 10.825 -3.040 1.00 0.00 C ATOM 0 H LEU B 16 4.088 12.756 -6.833 1.00 0.00 H new ATOM 0 HA LEU B 16 3.562 11.418 -4.417 1.00 0.00 H new ATOM 0 HB2 LEU B 16 5.430 11.272 -6.302 1.00 0.00 H new ATOM 0 HB3 LEU B 16 6.291 12.373 -5.246 1.00 0.00 H new ATOM 0 HG LEU B 16 5.243 9.672 -4.360 1.00 0.00 H new ATOM 0 HD11 LEU B 16 7.602 8.928 -4.570 1.00 0.00 H new ATOM 0 HD12 LEU B 16 6.930 9.427 -6.140 1.00 0.00 H new ATOM 0 HD13 LEU B 16 8.030 10.512 -5.258 1.00 0.00 H new ATOM 0 HD21 LEU B 16 6.810 9.958 -2.487 1.00 0.00 H new ATOM 0 HD22 LEU B 16 7.237 11.574 -3.096 1.00 0.00 H new ATOM 0 HD23 LEU B 16 5.583 11.247 -2.528 1.00 0.00 H new ATOM 1583 N ALA B 17 4.927 14.410 -4.134 1.00 0.00 N ATOM 1584 CA ALA B 17 5.180 15.505 -3.209 1.00 0.00 C ATOM 1585 C ALA B 17 3.883 16.012 -2.590 1.00 0.00 C ATOM 1586 O ALA B 17 3.849 16.354 -1.414 1.00 0.00 O ATOM 1587 CB ALA B 17 5.914 16.637 -3.911 1.00 0.00 C ATOM 0 H ALA B 17 5.167 14.616 -5.104 1.00 0.00 H new ATOM 0 HA ALA B 17 5.811 15.127 -2.405 1.00 0.00 H new ATOM 0 HB1 ALA B 17 6.095 17.447 -3.204 1.00 0.00 H new ATOM 0 HB2 ALA B 17 6.866 16.271 -4.294 1.00 0.00 H new ATOM 0 HB3 ALA B 17 5.308 17.006 -4.738 1.00 0.00 H new ATOM 1593 N GLU B 18 2.816 16.050 -3.387 1.00 0.00 N ATOM 1594 CA GLU B 18 1.514 16.499 -2.903 1.00 0.00 C ATOM 1595 C GLU B 18 1.005 15.593 -1.790 1.00 0.00 C ATOM 1596 O GLU B 18 0.488 16.068 -0.779 1.00 0.00 O ATOM 1597 CB GLU B 18 0.493 16.538 -4.038 1.00 0.00 C ATOM 1598 CG GLU B 18 0.824 17.539 -5.128 1.00 0.00 C ATOM 1599 CD GLU B 18 -0.270 17.635 -6.165 1.00 0.00 C ATOM 1600 OE1 GLU B 18 -0.310 16.787 -7.073 1.00 0.00 O ATOM 1601 OE2 GLU B 18 -1.104 18.561 -6.072 1.00 0.00 O ATOM 0 H GLU B 18 2.829 15.775 -4.369 1.00 0.00 H new ATOM 0 HA GLU B 18 1.641 17.507 -2.508 1.00 0.00 H new ATOM 0 HB2 GLU B 18 0.418 15.545 -4.481 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -0.487 16.777 -3.624 1.00 0.00 H new ATOM 0 HG2 GLU B 18 0.986 18.520 -4.681 1.00 0.00 H new ATOM 0 HG3 GLU B 18 1.757 17.251 -5.612 1.00 0.00 H new ATOM 1608 N LEU B 19 1.160 14.290 -1.978 1.00 0.00 N ATOM 1609 CA LEU B 19 0.760 13.322 -0.965 1.00 0.00 C ATOM 1610 C LEU B 19 1.553 13.540 0.319 1.00 0.00 C ATOM 1611 O LEU B 19 1.006 13.475 1.422 1.00 0.00 O ATOM 1612 CB LEU B 19 0.962 11.894 -1.476 1.00 0.00 C ATOM 1613 CG LEU B 19 0.118 11.512 -2.694 1.00 0.00 C ATOM 1614 CD1 LEU B 19 0.433 10.091 -3.130 1.00 0.00 C ATOM 1615 CD2 LEU B 19 -1.364 11.656 -2.383 1.00 0.00 C ATOM 0 H LEU B 19 1.559 13.879 -2.822 1.00 0.00 H new ATOM 0 HA LEU B 19 -0.299 13.466 -0.751 1.00 0.00 H new ATOM 0 HB2 LEU B 19 2.014 11.761 -1.727 1.00 0.00 H new ATOM 0 HB3 LEU B 19 0.737 11.200 -0.666 1.00 0.00 H new ATOM 0 HG LEU B 19 0.365 12.189 -3.512 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -0.175 9.833 -3.997 1.00 0.00 H new ATOM 0 HD12 LEU B 19 1.489 10.016 -3.392 1.00 0.00 H new ATOM 0 HD13 LEU B 19 0.212 9.403 -2.314 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -1.948 11.380 -3.261 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -1.627 11.002 -1.552 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -1.580 12.690 -2.113 1.00 0.00 H new ATOM 1627 N LEU B 20 2.843 13.821 0.165 1.00 0.00 N ATOM 1628 CA LEU B 20 3.699 14.115 1.308 1.00 0.00 C ATOM 1629 C LEU B 20 3.297 15.439 1.944 1.00 0.00 C ATOM 1630 O LEU B 20 3.316 15.580 3.164 1.00 0.00 O ATOM 1631 CB LEU B 20 5.171 14.163 0.888 1.00 0.00 C ATOM 1632 CG LEU B 20 5.731 12.859 0.314 1.00 0.00 C ATOM 1633 CD1 LEU B 20 7.192 13.032 -0.071 1.00 0.00 C ATOM 1634 CD2 LEU B 20 5.577 11.722 1.313 1.00 0.00 C ATOM 0 H LEU B 20 3.317 13.851 -0.738 1.00 0.00 H new ATOM 0 HA LEU B 20 3.573 13.317 2.039 1.00 0.00 H new ATOM 0 HB2 LEU B 20 5.294 14.950 0.144 1.00 0.00 H new ATOM 0 HB3 LEU B 20 5.770 14.446 1.754 1.00 0.00 H new ATOM 0 HG LEU B 20 5.163 12.608 -0.582 1.00 0.00 H new ATOM 0 HD11 LEU B 20 7.575 12.096 -0.477 1.00 0.00 H new ATOM 0 HD12 LEU B 20 7.280 13.816 -0.823 1.00 0.00 H new ATOM 0 HD13 LEU B 20 7.770 13.308 0.811 1.00 0.00 H new ATOM 0 HD21 LEU B 20 5.981 10.805 0.885 1.00 0.00 H new ATOM 0 HD22 LEU B 20 6.118 11.965 2.227 1.00 0.00 H new ATOM 0 HD23 LEU B 20 4.521 11.580 1.543 1.00 0.00 H new ATOM 1646 N ASN B 21 2.925 16.402 1.107 1.00 0.00 N ATOM 1647 CA ASN B 21 2.454 17.701 1.578 1.00 0.00 C ATOM 1648 C ASN B 21 1.265 17.537 2.509 1.00 0.00 C ATOM 1649 O ASN B 21 1.231 18.121 3.588 1.00 0.00 O ATOM 1650 CB ASN B 21 2.055 18.609 0.408 1.00 0.00 C ATOM 1651 CG ASN B 21 3.237 19.226 -0.315 1.00 0.00 C ATOM 1652 OD1 ASN B 21 4.297 19.523 0.417 1.00 0.00 O flip ATOM 1653 ND2 ASN B 21 3.187 19.458 -1.523 1.00 0.00 N flip ATOM 0 H ASN B 21 2.941 16.306 0.092 1.00 0.00 H new ATOM 0 HA ASN B 21 3.278 18.166 2.119 1.00 0.00 H new ATOM 0 HB2 ASN B 21 1.466 18.031 -0.304 1.00 0.00 H new ATOM 0 HB3 ASN B 21 1.412 19.406 0.781 1.00 0.00 H new ATOM 0 HD21 ASN B 21 2.351 19.214 -2.055 1.00 0.00 H new ATOM 0 HD22 ASN B 21 3.981 19.894 -1.992 1.00 0.00 H new ATOM 1660 N VAL B 22 0.288 16.746 2.083 1.00 0.00 N ATOM 1661 CA VAL B 22 -0.889 16.484 2.901 1.00 0.00 C ATOM 1662 C VAL B 22 -0.498 15.741 4.174 1.00 0.00 C ATOM 1663 O VAL B 22 -0.946 16.085 5.272 1.00 0.00 O ATOM 1664 CB VAL B 22 -1.950 15.666 2.128 1.00 0.00 C ATOM 1665 CG1 VAL B 22 -3.180 15.419 2.991 1.00 0.00 C ATOM 1666 CG2 VAL B 22 -2.336 16.376 0.840 1.00 0.00 C ATOM 0 H VAL B 22 0.287 16.276 1.178 1.00 0.00 H new ATOM 0 HA VAL B 22 -1.325 17.448 3.162 1.00 0.00 H new ATOM 0 HB VAL B 22 -1.515 14.700 1.874 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -3.912 14.842 2.425 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -2.892 14.864 3.884 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -3.618 16.374 3.282 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -3.083 15.786 0.309 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -2.748 17.357 1.075 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -1.454 16.494 0.211 1.00 0.00 H new ATOM 1676 N LEU B 23 0.362 14.740 4.027 1.00 0.00 N ATOM 1677 CA LEU B 23 0.814 13.943 5.160 1.00 0.00 C ATOM 1678 C LEU B 23 1.546 14.796 6.191 1.00 0.00 C ATOM 1679 O LEU B 23 1.222 14.748 7.373 1.00 0.00 O ATOM 1680 CB LEU B 23 1.715 12.799 4.689 1.00 0.00 C ATOM 1681 CG LEU B 23 1.107 11.398 4.814 1.00 0.00 C ATOM 1682 CD1 LEU B 23 0.843 11.056 6.274 1.00 0.00 C ATOM 1683 CD2 LEU B 23 -0.177 11.298 4.007 1.00 0.00 C ATOM 0 H LEU B 23 0.761 14.461 3.131 1.00 0.00 H new ATOM 0 HA LEU B 23 -0.072 13.524 5.638 1.00 0.00 H new ATOM 0 HB2 LEU B 23 1.979 12.972 3.646 1.00 0.00 H new ATOM 0 HB3 LEU B 23 2.642 12.828 5.262 1.00 0.00 H new ATOM 0 HG LEU B 23 1.823 10.679 4.415 1.00 0.00 H new ATOM 0 HD11 LEU B 23 0.411 10.057 6.341 1.00 0.00 H new ATOM 0 HD12 LEU B 23 1.780 11.084 6.830 1.00 0.00 H new ATOM 0 HD13 LEU B 23 0.148 11.781 6.698 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -0.593 10.296 4.109 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -0.896 12.029 4.376 1.00 0.00 H new ATOM 0 HD23 LEU B 23 0.037 11.497 2.957 1.00 0.00 H new ATOM 1695 N GLU B 24 2.512 15.590 5.744 1.00 0.00 N ATOM 1696 CA GLU B 24 3.305 16.413 6.655 1.00 0.00 C ATOM 1697 C GLU B 24 2.528 17.639 7.121 1.00 0.00 C ATOM 1698 O GLU B 24 2.967 18.351 8.025 1.00 0.00 O ATOM 1699 CB GLU B 24 4.610 16.861 5.997 1.00 0.00 C ATOM 1700 CG GLU B 24 5.512 15.718 5.567 1.00 0.00 C ATOM 1701 CD GLU B 24 6.866 16.203 5.090 1.00 0.00 C ATOM 1702 OE1 GLU B 24 6.911 17.028 4.153 1.00 0.00 O ATOM 1703 OE2 GLU B 24 7.893 15.764 5.654 1.00 0.00 O ATOM 0 H GLU B 24 2.766 15.683 4.760 1.00 0.00 H new ATOM 0 HA GLU B 24 3.535 15.794 7.522 1.00 0.00 H new ATOM 0 HB2 GLU B 24 4.374 17.471 5.125 1.00 0.00 H new ATOM 0 HB3 GLU B 24 5.156 17.498 6.693 1.00 0.00 H new ATOM 0 HG2 GLU B 24 5.648 15.031 6.402 1.00 0.00 H new ATOM 0 HG3 GLU B 24 5.028 15.156 4.768 1.00 0.00 H new ATOM 1710 N LYS B 25 1.389 17.899 6.492 1.00 0.00 N ATOM 1711 CA LYS B 25 0.538 19.008 6.896 1.00 0.00 C ATOM 1712 C LYS B 25 -0.290 18.613 8.109 1.00 0.00 C ATOM 1713 O LYS B 25 -0.560 19.429 8.986 1.00 0.00 O ATOM 1714 CB LYS B 25 -0.387 19.424 5.752 1.00 0.00 C ATOM 1715 CG LYS B 25 -0.362 20.913 5.462 1.00 0.00 C ATOM 1716 CD LYS B 25 -1.333 21.282 4.351 1.00 0.00 C ATOM 1717 CE LYS B 25 -0.992 20.586 3.043 1.00 0.00 C ATOM 1718 NZ LYS B 25 0.304 21.055 2.484 1.00 0.00 N ATOM 0 H LYS B 25 1.035 17.358 5.703 1.00 0.00 H new ATOM 0 HA LYS B 25 1.175 19.854 7.154 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -0.102 18.882 4.850 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -1.407 19.126 5.994 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -0.616 21.465 6.367 1.00 0.00 H new ATOM 0 HG3 LYS B 25 0.647 21.212 5.179 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -2.346 21.014 4.651 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -1.320 22.362 4.202 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -0.948 19.509 3.206 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -1.786 20.767 2.318 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 0.238 21.102 1.447 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 0.523 22.000 2.860 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 1.059 20.392 2.754 1.00 0.00 H new ATOM 1732 N HIS B 26 -0.693 17.350 8.142 1.00 0.00 N ATOM 1733 CA HIS B 26 -1.457 16.818 9.262 1.00 0.00 C ATOM 1734 C HIS B 26 -0.525 16.193 10.290 1.00 0.00 C ATOM 1735 O HIS B 26 -0.820 16.183 11.484 1.00 0.00 O ATOM 1736 CB HIS B 26 -2.468 15.775 8.781 1.00 0.00 C ATOM 1737 CG HIS B 26 -3.620 16.346 8.008 1.00 0.00 C ATOM 1738 ND1 HIS B 26 -4.881 16.481 8.535 1.00 0.00 N ATOM 1739 CD2 HIS B 26 -3.701 16.794 6.733 1.00 0.00 C ATOM 1740 CE1 HIS B 26 -5.686 16.985 7.622 1.00 0.00 C ATOM 1741 NE2 HIS B 26 -4.999 17.184 6.514 1.00 0.00 N ATOM 0 H HIS B 26 -0.503 16.673 7.403 1.00 0.00 H new ATOM 0 HA HIS B 26 -1.998 17.643 9.725 1.00 0.00 H new ATOM 0 HB2 HIS B 26 -1.952 15.046 8.156 1.00 0.00 H new ATOM 0 HB3 HIS B 26 -2.856 15.236 9.645 1.00 0.00 H new ATOM 0 HD1 HIS B 26 -5.152 16.230 9.486 1.00 0.00 H new ATOM 0 HD2 HIS B 26 -2.892 16.837 6.019 1.00 0.00 H new ATOM 0 HE1 HIS B 26 -6.736 17.200 7.758 1.00 0.00 H new ATOM 0 HE2 HIS B 26 -5.369 17.563 5.642 1.00 0.00 H new ATOM 1750 N LYS B 27 0.602 15.685 9.804 1.00 0.00 N ATOM 1751 CA LYS B 27 1.588 14.988 10.623 1.00 0.00 C ATOM 1752 C LYS B 27 0.959 13.845 11.409 1.00 0.00 C ATOM 1753 O LYS B 27 0.651 13.973 12.595 1.00 0.00 O ATOM 1754 CB LYS B 27 2.338 15.944 11.553 1.00 0.00 C ATOM 1755 CG LYS B 27 3.298 16.852 10.808 1.00 0.00 C ATOM 1756 CD LYS B 27 4.390 17.379 11.719 1.00 0.00 C ATOM 1757 CE LYS B 27 5.480 18.075 10.922 1.00 0.00 C ATOM 1758 NZ LYS B 27 6.688 18.335 11.747 1.00 0.00 N ATOM 0 H LYS B 27 0.860 15.746 8.819 1.00 0.00 H new ATOM 0 HA LYS B 27 2.318 14.559 9.937 1.00 0.00 H new ATOM 0 HB2 LYS B 27 1.618 16.553 12.099 1.00 0.00 H new ATOM 0 HB3 LYS B 27 2.891 15.365 12.293 1.00 0.00 H new ATOM 0 HG2 LYS B 27 3.748 16.305 9.979 1.00 0.00 H new ATOM 0 HG3 LYS B 27 2.748 17.689 10.377 1.00 0.00 H new ATOM 0 HD2 LYS B 27 3.962 18.075 12.440 1.00 0.00 H new ATOM 0 HD3 LYS B 27 4.821 16.556 12.289 1.00 0.00 H new ATOM 0 HE2 LYS B 27 5.752 17.460 10.064 1.00 0.00 H new ATOM 0 HE3 LYS B 27 5.098 19.018 10.530 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 7.408 18.811 11.167 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 6.434 18.943 12.552 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 7.068 17.434 12.100 1.00 0.00 H new ATOM 1772 N ALA B 28 0.756 12.735 10.721 1.00 0.00 N ATOM 1773 CA ALA B 28 0.210 11.540 11.334 1.00 0.00 C ATOM 1774 C ALA B 28 1.303 10.493 11.492 1.00 0.00 C ATOM 1775 O ALA B 28 2.127 10.320 10.594 1.00 0.00 O ATOM 1776 CB ALA B 28 -0.934 10.995 10.492 1.00 0.00 C ATOM 0 H ALA B 28 0.964 12.638 9.727 1.00 0.00 H new ATOM 0 HA ALA B 28 -0.178 11.791 12.321 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -1.336 10.098 10.962 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -1.719 11.747 10.414 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -0.567 10.749 9.495 1.00 0.00 H new ATOM 1782 N PRO B 29 1.337 9.805 12.645 1.00 0.00 N ATOM 1783 CA PRO B 29 2.319 8.746 12.912 1.00 0.00 C ATOM 1784 C PRO B 29 2.328 7.679 11.820 1.00 0.00 C ATOM 1785 O PRO B 29 1.300 7.415 11.195 1.00 0.00 O ATOM 1786 CB PRO B 29 1.841 8.148 14.237 1.00 0.00 C ATOM 1787 CG PRO B 29 1.087 9.248 14.896 1.00 0.00 C ATOM 1788 CD PRO B 29 0.429 10.015 13.787 1.00 0.00 C ATOM 0 HA PRO B 29 3.338 9.131 12.945 1.00 0.00 H new ATOM 0 HB2 PRO B 29 1.207 7.276 14.073 1.00 0.00 H new ATOM 0 HB3 PRO B 29 2.681 7.821 14.850 1.00 0.00 H new ATOM 0 HG2 PRO B 29 0.346 8.853 15.591 1.00 0.00 H new ATOM 0 HG3 PRO B 29 1.754 9.889 15.472 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -0.573 9.641 13.578 1.00 0.00 H new ATOM 0 HD3 PRO B 29 0.330 11.072 14.033 1.00 0.00 H new ATOM 1796 N THR B 30 3.488 7.067 11.606 1.00 0.00 N ATOM 1797 CA THR B 30 3.658 6.073 10.554 1.00 0.00 C ATOM 1798 C THR B 30 2.636 4.941 10.683 1.00 0.00 C ATOM 1799 O THR B 30 2.075 4.490 9.689 1.00 0.00 O ATOM 1800 CB THR B 30 5.079 5.486 10.583 1.00 0.00 C ATOM 1801 OG1 THR B 30 6.039 6.547 10.693 1.00 0.00 O ATOM 1802 CG2 THR B 30 5.362 4.674 9.328 1.00 0.00 C ATOM 0 H THR B 30 4.331 7.245 12.153 1.00 0.00 H new ATOM 0 HA THR B 30 3.497 6.580 9.602 1.00 0.00 H new ATOM 0 HB THR B 30 5.157 4.825 11.446 1.00 0.00 H new ATOM 0 HG1 THR B 30 6.644 6.522 9.922 1.00 0.00 H new ATOM 0 HG21 THR B 30 6.374 4.271 9.376 1.00 0.00 H new ATOM 0 HG22 THR B 30 4.648 3.854 9.257 1.00 0.00 H new ATOM 0 HG23 THR B 30 5.268 5.315 8.451 1.00 0.00 H new ATOM 1810 N ASP B 31 2.392 4.499 11.915 1.00 0.00 N ATOM 1811 CA ASP B 31 1.393 3.465 12.183 1.00 0.00 C ATOM 1812 C ASP B 31 0.016 3.902 11.701 1.00 0.00 C ATOM 1813 O ASP B 31 -0.649 3.184 10.954 1.00 0.00 O ATOM 1814 CB ASP B 31 1.350 3.151 13.679 1.00 0.00 C ATOM 1815 CG ASP B 31 0.122 2.352 14.077 1.00 0.00 C ATOM 1816 OD1 ASP B 31 -0.038 1.216 13.593 1.00 0.00 O ATOM 1817 OD2 ASP B 31 -0.685 2.861 14.885 1.00 0.00 O ATOM 0 H ASP B 31 2.874 4.842 12.746 1.00 0.00 H new ATOM 0 HA ASP B 31 1.677 2.565 11.637 1.00 0.00 H new ATOM 0 HB2 ASP B 31 2.245 2.594 13.955 1.00 0.00 H new ATOM 0 HB3 ASP B 31 1.369 4.084 14.242 1.00 0.00 H new ATOM 1822 N LEU B 32 -0.392 5.093 12.118 1.00 0.00 N ATOM 1823 CA LEU B 32 -1.673 5.651 11.712 1.00 0.00 C ATOM 1824 C LEU B 32 -1.728 5.803 10.193 1.00 0.00 C ATOM 1825 O LEU B 32 -2.722 5.452 9.562 1.00 0.00 O ATOM 1826 CB LEU B 32 -1.896 7.008 12.390 1.00 0.00 C ATOM 1827 CG LEU B 32 -3.217 7.705 12.051 1.00 0.00 C ATOM 1828 CD1 LEU B 32 -4.401 6.859 12.493 1.00 0.00 C ATOM 1829 CD2 LEU B 32 -3.276 9.078 12.700 1.00 0.00 C ATOM 0 H LEU B 32 0.149 5.693 12.740 1.00 0.00 H new ATOM 0 HA LEU B 32 -2.465 4.970 12.022 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -1.846 6.868 13.470 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -1.075 7.671 12.116 1.00 0.00 H new ATOM 0 HG LEU B 32 -3.269 7.829 10.969 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -5.329 7.373 12.243 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -4.371 5.896 11.983 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -4.353 6.701 13.570 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -4.221 9.559 12.449 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -3.199 8.973 13.782 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -2.450 9.689 12.335 1.00 0.00 H new ATOM 1841 N SER B 33 -0.641 6.306 9.622 1.00 0.00 N ATOM 1842 CA SER B 33 -0.548 6.512 8.184 1.00 0.00 C ATOM 1843 C SER B 33 -0.675 5.182 7.436 1.00 0.00 C ATOM 1844 O SER B 33 -1.506 5.049 6.541 1.00 0.00 O ATOM 1845 CB SER B 33 0.776 7.203 7.838 1.00 0.00 C ATOM 1846 OG SER B 33 0.838 7.554 6.467 1.00 0.00 O ATOM 0 H SER B 33 0.195 6.581 10.139 1.00 0.00 H new ATOM 0 HA SER B 33 -1.371 7.154 7.870 1.00 0.00 H new ATOM 0 HB2 SER B 33 0.890 8.098 8.449 1.00 0.00 H new ATOM 0 HB3 SER B 33 1.607 6.542 8.083 1.00 0.00 H new ATOM 0 HG SER B 33 1.694 7.994 6.280 1.00 0.00 H new ATOM 1852 N LEU B 34 0.127 4.193 7.826 1.00 0.00 N ATOM 1853 CA LEU B 34 0.110 2.883 7.177 1.00 0.00 C ATOM 1854 C LEU B 34 -1.246 2.202 7.330 1.00 0.00 C ATOM 1855 O LEU B 34 -1.676 1.455 6.450 1.00 0.00 O ATOM 1856 CB LEU B 34 1.209 1.977 7.742 1.00 0.00 C ATOM 1857 CG LEU B 34 2.641 2.389 7.393 1.00 0.00 C ATOM 1858 CD1 LEU B 34 3.638 1.470 8.078 1.00 0.00 C ATOM 1859 CD2 LEU B 34 2.849 2.365 5.886 1.00 0.00 C ATOM 0 H LEU B 34 0.798 4.274 8.590 1.00 0.00 H new ATOM 0 HA LEU B 34 0.296 3.048 6.116 1.00 0.00 H new ATOM 0 HB2 LEU B 34 1.111 1.949 8.827 1.00 0.00 H new ATOM 0 HB3 LEU B 34 1.042 0.962 7.380 1.00 0.00 H new ATOM 0 HG LEU B 34 2.804 3.406 7.749 1.00 0.00 H new ATOM 0 HD11 LEU B 34 4.652 1.776 7.820 1.00 0.00 H new ATOM 0 HD12 LEU B 34 3.505 1.529 9.158 1.00 0.00 H new ATOM 0 HD13 LEU B 34 3.474 0.444 7.748 1.00 0.00 H new ATOM 0 HD21 LEU B 34 3.872 2.661 5.655 1.00 0.00 H new ATOM 0 HD22 LEU B 34 2.668 1.358 5.510 1.00 0.00 H new ATOM 0 HD23 LEU B 34 2.155 3.059 5.412 1.00 0.00 H new ATOM 1871 N MET B 35 -1.917 2.452 8.448 1.00 0.00 N ATOM 1872 CA MET B 35 -3.242 1.891 8.675 1.00 0.00 C ATOM 1873 C MET B 35 -4.245 2.494 7.696 1.00 0.00 C ATOM 1874 O MET B 35 -5.002 1.771 7.044 1.00 0.00 O ATOM 1875 CB MET B 35 -3.687 2.130 10.123 1.00 0.00 C ATOM 1876 CG MET B 35 -5.010 1.466 10.473 1.00 0.00 C ATOM 1877 SD MET B 35 -5.427 1.618 12.222 1.00 0.00 S ATOM 1878 CE MET B 35 -5.517 3.397 12.397 1.00 0.00 C ATOM 0 H MET B 35 -1.567 3.036 9.207 1.00 0.00 H new ATOM 0 HA MET B 35 -3.198 0.815 8.506 1.00 0.00 H new ATOM 0 HB2 MET B 35 -2.915 1.759 10.797 1.00 0.00 H new ATOM 0 HB3 MET B 35 -3.772 3.203 10.295 1.00 0.00 H new ATOM 0 HG2 MET B 35 -5.805 1.912 9.875 1.00 0.00 H new ATOM 0 HG3 MET B 35 -4.964 0.410 10.206 1.00 0.00 H new ATOM 0 HE1 MET B 35 -6.333 3.655 13.071 1.00 0.00 H new ATOM 0 HE2 MET B 35 -4.578 3.770 12.805 1.00 0.00 H new ATOM 0 HE3 MET B 35 -5.695 3.850 11.422 1.00 0.00 H new ATOM 1888 N VAL B 36 -4.225 3.818 7.574 1.00 0.00 N ATOM 1889 CA VAL B 36 -5.100 4.516 6.642 1.00 0.00 C ATOM 1890 C VAL B 36 -4.758 4.144 5.201 1.00 0.00 C ATOM 1891 O VAL B 36 -5.639 3.777 4.421 1.00 0.00 O ATOM 1892 CB VAL B 36 -5.006 6.050 6.812 1.00 0.00 C ATOM 1893 CG1 VAL B 36 -5.905 6.764 5.813 1.00 0.00 C ATOM 1894 CG2 VAL B 36 -5.368 6.456 8.233 1.00 0.00 C ATOM 0 H VAL B 36 -3.610 4.429 8.111 1.00 0.00 H new ATOM 0 HA VAL B 36 -6.121 4.206 6.865 1.00 0.00 H new ATOM 0 HB VAL B 36 -3.975 6.347 6.618 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -5.821 7.842 5.953 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -5.600 6.505 4.799 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -6.939 6.457 5.970 1.00 0.00 H new ATOM 0 HG21 VAL B 36 -5.296 7.539 8.332 1.00 0.00 H new ATOM 0 HG22 VAL B 36 -6.387 6.139 8.454 1.00 0.00 H new ATOM 0 HG23 VAL B 36 -4.681 5.981 8.933 1.00 0.00 H new ATOM 1904 N LEU B 37 -3.472 4.220 4.863 1.00 0.00 N ATOM 1905 CA LEU B 37 -2.999 3.889 3.521 1.00 0.00 C ATOM 1906 C LEU B 37 -3.349 2.454 3.156 1.00 0.00 C ATOM 1907 O LEU B 37 -3.829 2.191 2.058 1.00 0.00 O ATOM 1908 CB LEU B 37 -1.486 4.095 3.412 1.00 0.00 C ATOM 1909 CG LEU B 37 -1.019 5.550 3.466 1.00 0.00 C ATOM 1910 CD1 LEU B 37 0.498 5.621 3.414 1.00 0.00 C ATOM 1911 CD2 LEU B 37 -1.627 6.345 2.320 1.00 0.00 C ATOM 0 H LEU B 37 -2.735 4.510 5.505 1.00 0.00 H new ATOM 0 HA LEU B 37 -3.499 4.559 2.822 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -1.002 3.545 4.219 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -1.143 3.655 2.476 1.00 0.00 H new ATOM 0 HG LEU B 37 -1.354 5.987 4.407 1.00 0.00 H new ATOM 0 HD11 LEU B 37 0.815 6.663 3.453 1.00 0.00 H new ATOM 0 HD12 LEU B 37 0.917 5.082 4.264 1.00 0.00 H new ATOM 0 HD13 LEU B 37 0.852 5.169 2.487 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -1.285 7.379 2.372 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -1.318 5.908 1.370 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -2.714 6.318 2.395 1.00 0.00 H new ATOM 1923 N GLY B 38 -3.111 1.532 4.084 1.00 0.00 N ATOM 1924 CA GLY B 38 -3.427 0.135 3.848 1.00 0.00 C ATOM 1925 C GLY B 38 -4.887 -0.067 3.500 1.00 0.00 C ATOM 1926 O GLY B 38 -5.209 -0.686 2.489 1.00 0.00 O ATOM 0 H GLY B 38 -2.704 1.729 4.998 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -2.805 -0.245 3.037 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -3.183 -0.447 4.737 1.00 0.00 H new ATOM 1930 N ASN B 39 -5.766 0.487 4.328 1.00 0.00 N ATOM 1931 CA ASN B 39 -7.205 0.405 4.097 1.00 0.00 C ATOM 1932 C ASN B 39 -7.572 1.064 2.769 1.00 0.00 C ATOM 1933 O ASN B 39 -8.411 0.559 2.018 1.00 0.00 O ATOM 1934 CB ASN B 39 -7.955 1.074 5.257 1.00 0.00 C ATOM 1935 CG ASN B 39 -9.461 1.090 5.064 1.00 0.00 C ATOM 1936 OD1 ASN B 39 -10.155 0.140 5.424 1.00 0.00 O ATOM 1937 ND2 ASN B 39 -9.978 2.180 4.517 1.00 0.00 N ATOM 0 H ASN B 39 -5.506 1.001 5.170 1.00 0.00 H new ATOM 0 HA ASN B 39 -7.497 -0.644 4.046 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -7.719 0.551 6.184 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -7.598 2.098 5.370 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -10.986 2.253 4.381 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -9.368 2.946 4.232 1.00 0.00 H new ATOM 1944 N MET B 40 -6.920 2.182 2.481 1.00 0.00 N ATOM 1945 CA MET B 40 -7.144 2.916 1.244 1.00 0.00 C ATOM 1946 C MET B 40 -6.755 2.071 0.032 1.00 0.00 C ATOM 1947 O MET B 40 -7.510 1.980 -0.936 1.00 0.00 O ATOM 1948 CB MET B 40 -6.350 4.225 1.260 1.00 0.00 C ATOM 1949 CG MET B 40 -6.440 5.019 -0.032 1.00 0.00 C ATOM 1950 SD MET B 40 -5.489 6.549 0.033 1.00 0.00 S ATOM 1951 CE MET B 40 -5.717 7.156 -1.634 1.00 0.00 C ATOM 0 H MET B 40 -6.224 2.604 3.096 1.00 0.00 H new ATOM 0 HA MET B 40 -8.206 3.148 1.167 1.00 0.00 H new ATOM 0 HB2 MET B 40 -6.709 4.845 2.081 1.00 0.00 H new ATOM 0 HB3 MET B 40 -5.303 4.000 1.464 1.00 0.00 H new ATOM 0 HG2 MET B 40 -6.080 4.406 -0.858 1.00 0.00 H new ATOM 0 HG3 MET B 40 -7.484 5.252 -0.240 1.00 0.00 H new ATOM 0 HE1 MET B 40 -5.187 8.101 -1.753 1.00 0.00 H new ATOM 0 HE2 MET B 40 -5.324 6.428 -2.343 1.00 0.00 H new ATOM 0 HE3 MET B 40 -6.779 7.310 -1.823 1.00 0.00 H new ATOM 1961 N VAL B 41 -5.583 1.444 0.096 1.00 0.00 N ATOM 1962 CA VAL B 41 -5.102 0.596 -0.992 1.00 0.00 C ATOM 1963 C VAL B 41 -6.047 -0.582 -1.213 1.00 0.00 C ATOM 1964 O VAL B 41 -6.410 -0.889 -2.351 1.00 0.00 O ATOM 1965 CB VAL B 41 -3.668 0.075 -0.727 1.00 0.00 C ATOM 1966 CG1 VAL B 41 -3.227 -0.894 -1.816 1.00 0.00 C ATOM 1967 CG2 VAL B 41 -2.687 1.234 -0.634 1.00 0.00 C ATOM 0 H VAL B 41 -4.948 1.507 0.891 1.00 0.00 H new ATOM 0 HA VAL B 41 -5.076 1.211 -1.891 1.00 0.00 H new ATOM 0 HB VAL B 41 -3.678 -0.458 0.224 1.00 0.00 H new ATOM 0 HG11 VAL B 41 -2.217 -1.244 -1.604 1.00 0.00 H new ATOM 0 HG12 VAL B 41 -3.907 -1.745 -1.843 1.00 0.00 H new ATOM 0 HG13 VAL B 41 -3.241 -0.388 -2.781 1.00 0.00 H new ATOM 0 HG21 VAL B 41 -1.685 0.848 -0.447 1.00 0.00 H new ATOM 0 HG22 VAL B 41 -2.693 1.792 -1.571 1.00 0.00 H new ATOM 0 HG23 VAL B 41 -2.980 1.894 0.183 1.00 0.00 H new ATOM 1977 N THR B 42 -6.458 -1.223 -0.123 1.00 0.00 N ATOM 1978 CA THR B 42 -7.409 -2.323 -0.195 1.00 0.00 C ATOM 1979 C THR B 42 -8.684 -1.893 -0.922 1.00 0.00 C ATOM 1980 O THR B 42 -9.110 -2.538 -1.881 1.00 0.00 O ATOM 1981 CB THR B 42 -7.762 -2.837 1.214 1.00 0.00 C ATOM 1982 OG1 THR B 42 -6.565 -3.222 1.901 1.00 0.00 O ATOM 1983 CG2 THR B 42 -8.714 -4.021 1.141 1.00 0.00 C ATOM 0 H THR B 42 -6.146 -0.998 0.821 1.00 0.00 H new ATOM 0 HA THR B 42 -6.939 -3.131 -0.756 1.00 0.00 H new ATOM 0 HB THR B 42 -8.256 -2.033 1.759 1.00 0.00 H new ATOM 0 HG1 THR B 42 -6.081 -2.420 2.189 1.00 0.00 H new ATOM 0 HG21 THR B 42 -8.946 -4.364 2.149 1.00 0.00 H new ATOM 0 HG22 THR B 42 -9.633 -3.718 0.640 1.00 0.00 H new ATOM 0 HG23 THR B 42 -8.245 -4.831 0.582 1.00 0.00 H new ATOM 1991 N ASN B 43 -9.260 -0.774 -0.491 1.00 0.00 N ATOM 1992 CA ASN B 43 -10.493 -0.266 -1.097 1.00 0.00 C ATOM 1993 C ASN B 43 -10.268 0.110 -2.555 1.00 0.00 C ATOM 1994 O ASN B 43 -11.124 -0.134 -3.409 1.00 0.00 O ATOM 1995 CB ASN B 43 -11.025 0.948 -0.330 1.00 0.00 C ATOM 1996 CG ASN B 43 -11.736 0.580 0.962 1.00 0.00 C ATOM 1997 OD1 ASN B 43 -11.320 -0.504 1.596 1.00 0.00 O flip ATOM 1998 ND2 ASN B 43 -12.659 1.275 1.388 1.00 0.00 N flip ATOM 0 H ASN B 43 -8.897 -0.202 0.272 1.00 0.00 H new ATOM 0 HA ASN B 43 -11.233 -1.065 -1.047 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -10.195 1.617 -0.102 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -11.713 1.500 -0.970 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -12.953 2.104 0.872 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -13.129 1.021 2.257 1.00 0.00 H new ATOM 2005 N LEU B 44 -9.113 0.699 -2.835 1.00 0.00 N ATOM 2006 CA LEU B 44 -8.767 1.103 -4.191 1.00 0.00 C ATOM 2007 C LEU B 44 -8.731 -0.108 -5.116 1.00 0.00 C ATOM 2008 O LEU B 44 -9.294 -0.082 -6.208 1.00 0.00 O ATOM 2009 CB LEU B 44 -7.415 1.821 -4.206 1.00 0.00 C ATOM 2010 CG LEU B 44 -7.005 2.417 -5.557 1.00 0.00 C ATOM 2011 CD1 LEU B 44 -7.965 3.524 -5.971 1.00 0.00 C ATOM 2012 CD2 LEU B 44 -5.580 2.945 -5.494 1.00 0.00 C ATOM 0 H LEU B 44 -8.398 0.908 -2.138 1.00 0.00 H new ATOM 0 HA LEU B 44 -9.532 1.792 -4.550 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -7.439 2.622 -3.467 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.645 1.118 -3.889 1.00 0.00 H new ATOM 0 HG LEU B 44 -7.050 1.627 -6.307 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -7.655 3.933 -6.933 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -8.973 3.118 -6.057 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -7.955 4.314 -5.220 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -5.304 3.365 -6.461 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -5.512 3.719 -4.730 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -4.901 2.130 -5.245 1.00 0.00 H new ATOM 2024 N ILE B 45 -8.085 -1.177 -4.668 1.00 0.00 N ATOM 2025 CA ILE B 45 -7.990 -2.396 -5.457 1.00 0.00 C ATOM 2026 C ILE B 45 -9.359 -3.070 -5.579 1.00 0.00 C ATOM 2027 O ILE B 45 -9.715 -3.571 -6.642 1.00 0.00 O ATOM 2028 CB ILE B 45 -6.963 -3.381 -4.855 1.00 0.00 C ATOM 2029 CG1 ILE B 45 -5.576 -2.731 -4.802 1.00 0.00 C ATOM 2030 CG2 ILE B 45 -6.915 -4.667 -5.668 1.00 0.00 C ATOM 2031 CD1 ILE B 45 -4.511 -3.603 -4.167 1.00 0.00 C ATOM 0 H ILE B 45 -7.619 -1.223 -3.762 1.00 0.00 H new ATOM 0 HA ILE B 45 -7.646 -2.116 -6.452 1.00 0.00 H new ATOM 0 HB ILE B 45 -7.273 -3.628 -3.840 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -5.266 -2.477 -5.816 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -5.645 -1.796 -4.246 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -6.186 -5.348 -5.229 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -7.899 -5.137 -5.665 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -6.626 -4.438 -6.694 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -3.559 -3.073 -4.167 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -4.796 -3.837 -3.141 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -4.411 -4.528 -4.735 1.00 0.00 H new ATOM 2043 N ASN B 46 -10.132 -3.045 -4.496 1.00 0.00 N ATOM 2044 CA ASN B 46 -11.482 -3.618 -4.493 1.00 0.00 C ATOM 2045 C ASN B 46 -12.373 -2.968 -5.546 1.00 0.00 C ATOM 2046 O ASN B 46 -13.279 -3.604 -6.086 1.00 0.00 O ATOM 2047 CB ASN B 46 -12.144 -3.447 -3.120 1.00 0.00 C ATOM 2048 CG ASN B 46 -11.689 -4.464 -2.090 1.00 0.00 C ATOM 2049 OD1 ASN B 46 -11.413 -5.682 -2.528 1.00 0.00 O flip ATOM 2050 ND2 ASN B 46 -11.618 -4.159 -0.899 1.00 0.00 N flip ATOM 0 H ASN B 46 -9.849 -2.634 -3.606 1.00 0.00 H new ATOM 0 HA ASN B 46 -11.373 -4.678 -4.724 1.00 0.00 H new ATOM 0 HB2 ASN B 46 -11.931 -2.445 -2.747 1.00 0.00 H new ATOM 0 HB3 ASN B 46 -13.225 -3.521 -3.237 1.00 0.00 H new ATOM 0 HD21 ASN B 46 -11.839 -3.209 -0.602 1.00 0.00 H new ATOM 0 HD22 ASN B 46 -11.338 -4.857 -0.210 1.00 0.00 H new ATOM 2057 N THR B 47 -12.119 -1.699 -5.831 1.00 0.00 N ATOM 2058 CA THR B 47 -12.972 -0.942 -6.734 1.00 0.00 C ATOM 2059 C THR B 47 -12.379 -0.823 -8.139 1.00 0.00 C ATOM 2060 O THR B 47 -13.104 -0.891 -9.131 1.00 0.00 O ATOM 2061 CB THR B 47 -13.239 0.463 -6.167 1.00 0.00 C ATOM 2062 OG1 THR B 47 -12.020 1.019 -5.653 1.00 0.00 O ATOM 2063 CG2 THR B 47 -14.285 0.413 -5.064 1.00 0.00 C ATOM 0 H THR B 47 -11.332 -1.174 -5.451 1.00 0.00 H new ATOM 0 HA THR B 47 -13.909 -1.493 -6.817 1.00 0.00 H new ATOM 0 HB THR B 47 -13.617 1.093 -6.973 1.00 0.00 H new ATOM 0 HG1 THR B 47 -11.897 0.734 -4.724 1.00 0.00 H new ATOM 0 HG21 THR B 47 -14.456 1.418 -4.679 1.00 0.00 H new ATOM 0 HG22 THR B 47 -15.217 0.014 -5.464 1.00 0.00 H new ATOM 0 HG23 THR B 47 -13.932 -0.229 -4.257 1.00 0.00 H new ATOM 2071 N SER B 48 -11.065 -0.658 -8.224 1.00 0.00 N ATOM 2072 CA SER B 48 -10.411 -0.419 -9.506 1.00 0.00 C ATOM 2073 C SER B 48 -9.994 -1.725 -10.181 1.00 0.00 C ATOM 2074 O SER B 48 -9.894 -1.798 -11.405 1.00 0.00 O ATOM 2075 CB SER B 48 -9.191 0.477 -9.298 1.00 0.00 C ATOM 2076 OG SER B 48 -9.536 1.624 -8.540 1.00 0.00 O ATOM 0 H SER B 48 -10.432 -0.685 -7.424 1.00 0.00 H new ATOM 0 HA SER B 48 -11.126 0.076 -10.163 1.00 0.00 H new ATOM 0 HB2 SER B 48 -8.407 -0.081 -8.786 1.00 0.00 H new ATOM 0 HB3 SER B 48 -8.788 0.781 -10.264 1.00 0.00 H new ATOM 0 HG SER B 48 -9.539 1.397 -7.587 1.00 0.00 H new ATOM 2082 N ILE B 49 -9.757 -2.755 -9.382 1.00 0.00 N ATOM 2083 CA ILE B 49 -9.347 -4.048 -9.907 1.00 0.00 C ATOM 2084 C ILE B 49 -10.503 -5.036 -9.808 1.00 0.00 C ATOM 2085 O ILE B 49 -11.277 -4.994 -8.850 1.00 0.00 O ATOM 2086 CB ILE B 49 -8.116 -4.601 -9.143 1.00 0.00 C ATOM 2087 CG1 ILE B 49 -6.927 -3.644 -9.274 1.00 0.00 C ATOM 2088 CG2 ILE B 49 -7.736 -5.994 -9.636 1.00 0.00 C ATOM 2089 CD1 ILE B 49 -6.463 -3.430 -10.699 1.00 0.00 C ATOM 0 H ILE B 49 -9.842 -2.720 -8.366 1.00 0.00 H new ATOM 0 HA ILE B 49 -9.066 -3.916 -10.952 1.00 0.00 H new ATOM 0 HB ILE B 49 -8.386 -4.681 -8.090 1.00 0.00 H new ATOM 0 HG12 ILE B 49 -7.200 -2.681 -8.843 1.00 0.00 H new ATOM 0 HG13 ILE B 49 -6.095 -4.032 -8.686 1.00 0.00 H new ATOM 0 HG21 ILE B 49 -6.870 -6.353 -9.080 1.00 0.00 H new ATOM 0 HG22 ILE B 49 -8.573 -6.675 -9.483 1.00 0.00 H new ATOM 0 HG23 ILE B 49 -7.493 -5.951 -10.698 1.00 0.00 H new ATOM 0 HD11 ILE B 49 -5.619 -2.741 -10.707 1.00 0.00 H new ATOM 0 HD12 ILE B 49 -6.157 -4.384 -11.129 1.00 0.00 H new ATOM 0 HD13 ILE B 49 -7.279 -3.011 -11.288 1.00 0.00 H new ATOM 2101 N ALA B 50 -10.632 -5.899 -10.814 1.00 0.00 N ATOM 2102 CA ALA B 50 -11.682 -6.912 -10.833 1.00 0.00 C ATOM 2103 C ALA B 50 -11.660 -7.756 -9.561 1.00 0.00 C ATOM 2104 O ALA B 50 -10.603 -8.251 -9.151 1.00 0.00 O ATOM 2105 CB ALA B 50 -11.541 -7.805 -12.057 1.00 0.00 C ATOM 0 H ALA B 50 -10.019 -5.916 -11.629 1.00 0.00 H new ATOM 0 HA ALA B 50 -12.641 -6.395 -10.881 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -12.333 -8.554 -12.054 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -11.618 -7.199 -12.960 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -10.571 -8.302 -12.035 1.00 0.00 H new ATOM 2111 N PRO B 51 -12.830 -7.923 -8.923 1.00 0.00 N ATOM 2112 CA PRO B 51 -12.977 -8.654 -7.652 1.00 0.00 C ATOM 2113 C PRO B 51 -12.769 -10.166 -7.792 1.00 0.00 C ATOM 2114 O PRO B 51 -13.593 -10.963 -7.344 1.00 0.00 O ATOM 2115 CB PRO B 51 -14.423 -8.351 -7.227 1.00 0.00 C ATOM 2116 CG PRO B 51 -14.863 -7.219 -8.091 1.00 0.00 C ATOM 2117 CD PRO B 51 -14.116 -7.382 -9.377 1.00 0.00 C ATOM 0 HA PRO B 51 -12.224 -8.341 -6.929 1.00 0.00 H new ATOM 0 HB2 PRO B 51 -15.063 -9.222 -7.365 1.00 0.00 H new ATOM 0 HB3 PRO B 51 -14.474 -8.082 -6.172 1.00 0.00 H new ATOM 0 HG2 PRO B 51 -15.940 -7.248 -8.257 1.00 0.00 H new ATOM 0 HG3 PRO B 51 -14.638 -6.260 -7.625 1.00 0.00 H new ATOM 0 HD2 PRO B 51 -14.625 -8.062 -10.060 1.00 0.00 H new ATOM 0 HD3 PRO B 51 -13.996 -6.434 -9.901 1.00 0.00 H new ATOM 2125 N ALA B 52 -11.656 -10.555 -8.399 1.00 0.00 N ATOM 2126 CA ALA B 52 -11.298 -11.960 -8.521 1.00 0.00 C ATOM 2127 C ALA B 52 -9.818 -12.156 -8.218 1.00 0.00 C ATOM 2128 O ALA B 52 -9.445 -12.513 -7.102 1.00 0.00 O ATOM 2129 CB ALA B 52 -11.640 -12.484 -9.907 1.00 0.00 C ATOM 0 H ALA B 52 -10.983 -9.913 -8.816 1.00 0.00 H new ATOM 0 HA ALA B 52 -11.877 -12.529 -7.794 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -11.364 -13.536 -9.976 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -12.710 -12.377 -10.082 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -11.091 -11.915 -10.657 1.00 0.00 H new ATOM 2135 N GLN B 53 -8.973 -11.856 -9.198 1.00 0.00 N ATOM 2136 CA GLN B 53 -7.533 -12.066 -9.071 1.00 0.00 C ATOM 2137 C GLN B 53 -6.861 -10.900 -8.337 1.00 0.00 C ATOM 2138 O GLN B 53 -5.650 -10.702 -8.434 1.00 0.00 O ATOM 2139 CB GLN B 53 -6.902 -12.269 -10.458 1.00 0.00 C ATOM 2140 CG GLN B 53 -6.756 -11.005 -11.305 1.00 0.00 C ATOM 2141 CD GLN B 53 -8.072 -10.338 -11.670 1.00 0.00 C ATOM 2142 OE1 GLN B 53 -9.115 -10.986 -11.785 1.00 0.00 O ATOM 2143 NE2 GLN B 53 -8.027 -9.031 -11.870 1.00 0.00 N ATOM 0 H GLN B 53 -9.261 -11.464 -10.095 1.00 0.00 H new ATOM 0 HA GLN B 53 -7.373 -12.966 -8.477 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -5.916 -12.714 -10.328 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -7.506 -12.988 -11.011 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -6.138 -10.289 -10.764 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -6.223 -11.256 -12.222 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -7.145 -8.529 -11.765 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -8.874 -8.525 -12.129 1.00 0.00 H new ATOM 2152 N ARG B 54 -7.655 -10.161 -7.571 1.00 0.00 N ATOM 2153 CA ARG B 54 -7.165 -8.992 -6.847 1.00 0.00 C ATOM 2154 C ARG B 54 -6.093 -9.374 -5.826 1.00 0.00 C ATOM 2155 O ARG B 54 -5.154 -8.615 -5.591 1.00 0.00 O ATOM 2156 CB ARG B 54 -8.332 -8.268 -6.162 1.00 0.00 C ATOM 2157 CG ARG B 54 -9.062 -9.102 -5.118 1.00 0.00 C ATOM 2158 CD ARG B 54 -10.417 -8.499 -4.783 1.00 0.00 C ATOM 2159 NE ARG B 54 -11.169 -9.277 -3.793 1.00 0.00 N ATOM 2160 CZ ARG B 54 -11.615 -10.525 -3.976 1.00 0.00 C ATOM 2161 NH1 ARG B 54 -11.273 -11.222 -5.050 1.00 0.00 N ATOM 2162 NH2 ARG B 54 -12.410 -11.082 -3.074 1.00 0.00 N ATOM 0 H ARG B 54 -8.648 -10.352 -7.434 1.00 0.00 H new ATOM 0 HA ARG B 54 -6.704 -8.317 -7.568 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -7.954 -7.363 -5.687 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -9.046 -7.954 -6.923 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -9.195 -10.118 -5.488 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -8.457 -9.169 -4.214 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -10.273 -7.486 -4.406 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -11.007 -8.419 -5.696 1.00 0.00 H new ATOM 0 HE ARG B 54 -11.367 -8.833 -2.896 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -10.661 -10.808 -5.753 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -11.622 -12.172 -5.174 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -12.681 -10.559 -2.241 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -12.751 -12.033 -3.213 1.00 0.00 H new ATOM 2176 N GLN B 55 -6.215 -10.564 -5.246 1.00 0.00 N ATOM 2177 CA GLN B 55 -5.263 -11.017 -4.239 1.00 0.00 C ATOM 2178 C GLN B 55 -3.929 -11.344 -4.897 1.00 0.00 C ATOM 2179 O GLN B 55 -2.865 -11.038 -4.358 1.00 0.00 O ATOM 2180 CB GLN B 55 -5.803 -12.242 -3.498 1.00 0.00 C ATOM 2181 CG GLN B 55 -4.931 -12.689 -2.334 1.00 0.00 C ATOM 2182 CD GLN B 55 -5.453 -13.941 -1.656 1.00 0.00 C ATOM 2183 OE1 GLN B 55 -6.764 -14.131 -1.685 1.00 0.00 O flip ATOM 2184 NE2 GLN B 55 -4.684 -14.731 -1.112 1.00 0.00 N flip ATOM 0 H GLN B 55 -6.960 -11.229 -5.455 1.00 0.00 H new ATOM 0 HA GLN B 55 -5.115 -10.217 -3.514 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -6.803 -12.018 -3.126 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -5.902 -13.067 -4.203 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -3.918 -12.871 -2.694 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -4.869 -11.884 -1.602 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -3.681 -14.548 -1.112 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -5.049 -15.570 -0.661 1.00 0.00 H new ATOM 2193 N ALA B 56 -4.001 -11.947 -6.080 1.00 0.00 N ATOM 2194 CA ALA B 56 -2.809 -12.261 -6.859 1.00 0.00 C ATOM 2195 C ALA B 56 -2.053 -10.987 -7.219 1.00 0.00 C ATOM 2196 O ALA B 56 -0.824 -10.980 -7.306 1.00 0.00 O ATOM 2197 CB ALA B 56 -3.186 -13.030 -8.115 1.00 0.00 C ATOM 0 H ALA B 56 -4.877 -12.229 -6.521 1.00 0.00 H new ATOM 0 HA ALA B 56 -2.155 -12.887 -6.252 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -2.286 -13.257 -8.686 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -3.684 -13.959 -7.837 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -3.859 -12.426 -8.723 1.00 0.00 H new ATOM 2203 N ILE B 57 -2.801 -9.909 -7.431 1.00 0.00 N ATOM 2204 CA ILE B 57 -2.211 -8.603 -7.695 1.00 0.00 C ATOM 2205 C ILE B 57 -1.434 -8.123 -6.473 1.00 0.00 C ATOM 2206 O ILE B 57 -0.307 -7.635 -6.589 1.00 0.00 O ATOM 2207 CB ILE B 57 -3.287 -7.555 -8.065 1.00 0.00 C ATOM 2208 CG1 ILE B 57 -4.058 -7.993 -9.314 1.00 0.00 C ATOM 2209 CG2 ILE B 57 -2.659 -6.184 -8.278 1.00 0.00 C ATOM 2210 CD1 ILE B 57 -3.189 -8.165 -10.543 1.00 0.00 C ATOM 0 H ILE B 57 -3.821 -9.915 -7.425 1.00 0.00 H new ATOM 0 HA ILE B 57 -1.536 -8.712 -8.544 1.00 0.00 H new ATOM 0 HB ILE B 57 -3.989 -7.482 -7.234 1.00 0.00 H new ATOM 0 HG12 ILE B 57 -4.565 -8.935 -9.105 1.00 0.00 H new ATOM 0 HG13 ILE B 57 -4.832 -7.256 -9.528 1.00 0.00 H new ATOM 0 HG21 ILE B 57 -3.436 -5.464 -8.537 1.00 0.00 H new ATOM 0 HG22 ILE B 57 -2.160 -5.866 -7.362 1.00 0.00 H new ATOM 0 HG23 ILE B 57 -1.931 -6.239 -9.087 1.00 0.00 H new ATOM 0 HD11 ILE B 57 -3.807 -8.476 -11.385 1.00 0.00 H new ATOM 0 HD12 ILE B 57 -2.702 -7.219 -10.780 1.00 0.00 H new ATOM 0 HD13 ILE B 57 -2.431 -8.924 -10.349 1.00 0.00 H new ATOM 2222 N ALA B 58 -2.035 -8.287 -5.298 1.00 0.00 N ATOM 2223 CA ALA B 58 -1.393 -7.899 -4.048 1.00 0.00 C ATOM 2224 C ALA B 58 -0.130 -8.717 -3.807 1.00 0.00 C ATOM 2225 O ALA B 58 0.855 -8.207 -3.279 1.00 0.00 O ATOM 2226 CB ALA B 58 -2.355 -8.059 -2.881 1.00 0.00 C ATOM 0 H ALA B 58 -2.967 -8.687 -5.186 1.00 0.00 H new ATOM 0 HA ALA B 58 -1.111 -6.849 -4.127 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -1.858 -7.765 -1.957 1.00 0.00 H new ATOM 0 HB2 ALA B 58 -3.229 -7.427 -3.040 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -2.669 -9.100 -2.808 1.00 0.00 H new ATOM 2232 N ASN B 59 -0.163 -9.988 -4.199 1.00 0.00 N ATOM 2233 CA ASN B 59 1.010 -10.850 -4.089 1.00 0.00 C ATOM 2234 C ASN B 59 2.164 -10.290 -4.903 1.00 0.00 C ATOM 2235 O ASN B 59 3.263 -10.110 -4.383 1.00 0.00 O ATOM 2236 CB ASN B 59 0.699 -12.280 -4.540 1.00 0.00 C ATOM 2237 CG ASN B 59 0.142 -13.138 -3.419 1.00 0.00 C ATOM 2238 OD1 ASN B 59 -1.068 -13.204 -3.212 1.00 0.00 O ATOM 2239 ND2 ASN B 59 1.027 -13.797 -2.681 1.00 0.00 N ATOM 0 H ASN B 59 -0.986 -10.442 -4.594 1.00 0.00 H new ATOM 0 HA ASN B 59 1.297 -10.879 -3.038 1.00 0.00 H new ATOM 0 HB2 ASN B 59 -0.018 -12.250 -5.360 1.00 0.00 H new ATOM 0 HB3 ASN B 59 1.608 -12.740 -4.928 1.00 0.00 H new ATOM 0 HD21 ASN B 59 0.711 -14.385 -1.910 1.00 0.00 H new ATOM 0 HD22 ASN B 59 2.023 -13.716 -2.885 1.00 0.00 H new ATOM 2246 N SER B 60 1.909 -9.987 -6.174 1.00 0.00 N ATOM 2247 CA SER B 60 2.940 -9.429 -7.039 1.00 0.00 C ATOM 2248 C SER B 60 3.373 -8.046 -6.552 1.00 0.00 C ATOM 2249 O SER B 60 4.530 -7.654 -6.710 1.00 0.00 O ATOM 2250 CB SER B 60 2.450 -9.370 -8.490 1.00 0.00 C ATOM 2251 OG SER B 60 1.129 -8.855 -8.572 1.00 0.00 O ATOM 0 H SER B 60 1.003 -10.118 -6.623 1.00 0.00 H new ATOM 0 HA SER B 60 3.810 -10.084 -6.999 1.00 0.00 H new ATOM 0 HB2 SER B 60 3.123 -8.745 -9.077 1.00 0.00 H new ATOM 0 HB3 SER B 60 2.480 -10.368 -8.926 1.00 0.00 H new ATOM 0 HG SER B 60 0.906 -8.391 -7.738 1.00 0.00 H new ATOM 2257 N PHE B 61 2.445 -7.323 -5.934 1.00 0.00 N ATOM 2258 CA PHE B 61 2.750 -6.026 -5.349 1.00 0.00 C ATOM 2259 C PHE B 61 3.711 -6.198 -4.178 1.00 0.00 C ATOM 2260 O PHE B 61 4.679 -5.452 -4.040 1.00 0.00 O ATOM 2261 CB PHE B 61 1.461 -5.334 -4.887 1.00 0.00 C ATOM 2262 CG PHE B 61 1.683 -3.968 -4.297 1.00 0.00 C ATOM 2263 CD1 PHE B 61 1.913 -2.876 -5.118 1.00 0.00 C ATOM 2264 CD2 PHE B 61 1.659 -3.777 -2.924 1.00 0.00 C ATOM 2265 CE1 PHE B 61 2.114 -1.619 -4.581 1.00 0.00 C ATOM 2266 CE2 PHE B 61 1.860 -2.523 -2.382 1.00 0.00 C ATOM 2267 CZ PHE B 61 2.088 -1.443 -3.211 1.00 0.00 C ATOM 0 H PHE B 61 1.474 -7.616 -5.826 1.00 0.00 H new ATOM 0 HA PHE B 61 3.225 -5.400 -6.104 1.00 0.00 H new ATOM 0 HB2 PHE B 61 0.782 -5.247 -5.735 1.00 0.00 H new ATOM 0 HB3 PHE B 61 0.967 -5.963 -4.147 1.00 0.00 H new ATOM 0 HD1 PHE B 61 1.935 -3.009 -6.190 1.00 0.00 H new ATOM 0 HD2 PHE B 61 1.481 -4.619 -2.271 1.00 0.00 H new ATOM 0 HE1 PHE B 61 2.291 -0.775 -5.231 1.00 0.00 H new ATOM 0 HE2 PHE B 61 1.839 -2.387 -1.311 1.00 0.00 H new ATOM 0 HZ PHE B 61 2.246 -0.461 -2.789 1.00 0.00 H new ATOM 2277 N ALA B 62 3.443 -7.199 -3.347 1.00 0.00 N ATOM 2278 CA ALA B 62 4.306 -7.513 -2.216 1.00 0.00 C ATOM 2279 C ALA B 62 5.690 -7.934 -2.695 1.00 0.00 C ATOM 2280 O ALA B 62 6.697 -7.604 -2.071 1.00 0.00 O ATOM 2281 CB ALA B 62 3.682 -8.605 -1.358 1.00 0.00 C ATOM 0 H ALA B 62 2.631 -7.809 -3.437 1.00 0.00 H new ATOM 0 HA ALA B 62 4.414 -6.615 -1.608 1.00 0.00 H new ATOM 0 HB1 ALA B 62 4.339 -8.828 -0.518 1.00 0.00 H new ATOM 0 HB2 ALA B 62 2.716 -8.266 -0.983 1.00 0.00 H new ATOM 0 HB3 ALA B 62 3.543 -9.504 -1.958 1.00 0.00 H new ATOM 2287 N ARG B 63 5.732 -8.652 -3.814 1.00 0.00 N ATOM 2288 CA ARG B 63 6.997 -9.083 -4.404 1.00 0.00 C ATOM 2289 C ARG B 63 7.827 -7.875 -4.819 1.00 0.00 C ATOM 2290 O ARG B 63 9.027 -7.808 -4.548 1.00 0.00 O ATOM 2291 CB ARG B 63 6.759 -9.984 -5.620 1.00 0.00 C ATOM 2292 CG ARG B 63 5.890 -11.196 -5.332 1.00 0.00 C ATOM 2293 CD ARG B 63 6.455 -12.051 -4.206 1.00 0.00 C ATOM 2294 NE ARG B 63 7.806 -12.529 -4.501 1.00 0.00 N ATOM 2295 CZ ARG B 63 8.079 -13.520 -5.351 1.00 0.00 C ATOM 2296 NH1 ARG B 63 7.097 -14.142 -6.000 1.00 0.00 N ATOM 2297 NH2 ARG B 63 9.336 -13.900 -5.543 1.00 0.00 N ATOM 0 H ARG B 63 4.904 -8.948 -4.331 1.00 0.00 H new ATOM 0 HA ARG B 63 7.540 -9.653 -3.650 1.00 0.00 H new ATOM 0 HB2 ARG B 63 6.292 -9.395 -6.410 1.00 0.00 H new ATOM 0 HB3 ARG B 63 7.722 -10.323 -6.002 1.00 0.00 H new ATOM 0 HG2 ARG B 63 4.885 -10.867 -5.067 1.00 0.00 H new ATOM 0 HG3 ARG B 63 5.800 -11.800 -6.235 1.00 0.00 H new ATOM 0 HD2 ARG B 63 6.470 -11.471 -3.284 1.00 0.00 H new ATOM 0 HD3 ARG B 63 5.799 -12.904 -4.035 1.00 0.00 H new ATOM 0 HE ARG B 63 8.588 -12.076 -4.027 1.00 0.00 H new ATOM 0 HH11 ARG B 63 6.128 -13.862 -5.849 1.00 0.00 H new ATOM 0 HH12 ARG B 63 7.314 -14.899 -6.648 1.00 0.00 H new ATOM 0 HH21 ARG B 63 10.092 -13.434 -5.041 1.00 0.00 H new ATOM 0 HH22 ARG B 63 9.546 -14.658 -6.193 1.00 0.00 H new ATOM 2311 N ALA B 64 7.176 -6.917 -5.472 1.00 0.00 N ATOM 2312 CA ALA B 64 7.831 -5.678 -5.858 1.00 0.00 C ATOM 2313 C ALA B 64 8.269 -4.909 -4.617 1.00 0.00 C ATOM 2314 O ALA B 64 9.374 -4.365 -4.565 1.00 0.00 O ATOM 2315 CB ALA B 64 6.902 -4.833 -6.713 1.00 0.00 C ATOM 0 H ALA B 64 6.195 -6.978 -5.744 1.00 0.00 H new ATOM 0 HA ALA B 64 8.716 -5.916 -6.448 1.00 0.00 H new ATOM 0 HB1 ALA B 64 7.407 -3.909 -6.994 1.00 0.00 H new ATOM 0 HB2 ALA B 64 6.631 -5.386 -7.612 1.00 0.00 H new ATOM 0 HB3 ALA B 64 6.001 -4.597 -6.147 1.00 0.00 H new ATOM 2321 N LEU B 65 7.398 -4.893 -3.613 1.00 0.00 N ATOM 2322 CA LEU B 65 7.689 -4.250 -2.337 1.00 0.00 C ATOM 2323 C LEU B 65 8.945 -4.844 -1.705 1.00 0.00 C ATOM 2324 O LEU B 65 9.804 -4.114 -1.218 1.00 0.00 O ATOM 2325 CB LEU B 65 6.498 -4.407 -1.386 1.00 0.00 C ATOM 2326 CG LEU B 65 6.676 -3.791 0.004 1.00 0.00 C ATOM 2327 CD1 LEU B 65 6.853 -2.285 -0.096 1.00 0.00 C ATOM 2328 CD2 LEU B 65 5.489 -4.132 0.895 1.00 0.00 C ATOM 0 H LEU B 65 6.475 -5.323 -3.661 1.00 0.00 H new ATOM 0 HA LEU B 65 7.864 -3.190 -2.519 1.00 0.00 H new ATOM 0 HB2 LEU B 65 5.621 -3.958 -1.853 1.00 0.00 H new ATOM 0 HB3 LEU B 65 6.287 -5.470 -1.268 1.00 0.00 H new ATOM 0 HG LEU B 65 7.576 -4.212 0.453 1.00 0.00 H new ATOM 0 HD11 LEU B 65 6.978 -1.866 0.903 1.00 0.00 H new ATOM 0 HD12 LEU B 65 7.735 -2.061 -0.696 1.00 0.00 H new ATOM 0 HD13 LEU B 65 5.973 -1.846 -0.566 1.00 0.00 H new ATOM 0 HD21 LEU B 65 5.633 -3.686 1.879 1.00 0.00 H new ATOM 0 HD22 LEU B 65 4.575 -3.740 0.449 1.00 0.00 H new ATOM 0 HD23 LEU B 65 5.409 -5.214 0.996 1.00 0.00 H new ATOM 2340 N GLN B 66 9.058 -6.167 -1.733 1.00 0.00 N ATOM 2341 CA GLN B 66 10.212 -6.852 -1.153 1.00 0.00 C ATOM 2342 C GLN B 66 11.509 -6.431 -1.838 1.00 0.00 C ATOM 2343 O GLN B 66 12.550 -6.317 -1.192 1.00 0.00 O ATOM 2344 CB GLN B 66 10.050 -8.371 -1.244 1.00 0.00 C ATOM 2345 CG GLN B 66 8.935 -8.925 -0.372 1.00 0.00 C ATOM 2346 CD GLN B 66 9.107 -8.577 1.093 1.00 0.00 C ATOM 2347 OE1 GLN B 66 9.750 -9.307 1.846 1.00 0.00 O ATOM 2348 NE2 GLN B 66 8.528 -7.461 1.509 1.00 0.00 N ATOM 0 H GLN B 66 8.366 -6.789 -2.151 1.00 0.00 H new ATOM 0 HA GLN B 66 10.265 -6.564 -0.103 1.00 0.00 H new ATOM 0 HB2 GLN B 66 9.857 -8.644 -2.281 1.00 0.00 H new ATOM 0 HB3 GLN B 66 10.990 -8.844 -0.960 1.00 0.00 H new ATOM 0 HG2 GLN B 66 7.979 -8.537 -0.723 1.00 0.00 H new ATOM 0 HG3 GLN B 66 8.899 -10.009 -0.481 1.00 0.00 H new ATOM 0 HE21 GLN B 66 8.003 -6.883 0.852 1.00 0.00 H new ATOM 0 HE22 GLN B 66 8.607 -7.179 2.486 1.00 0.00 H new ATOM 2357 N SER B 67 11.447 -6.190 -3.139 1.00 0.00 N ATOM 2358 CA SER B 67 12.632 -5.801 -3.889 1.00 0.00 C ATOM 2359 C SER B 67 12.894 -4.295 -3.785 1.00 0.00 C ATOM 2360 O SER B 67 13.955 -3.812 -4.180 1.00 0.00 O ATOM 2361 CB SER B 67 12.495 -6.225 -5.354 1.00 0.00 C ATOM 2362 OG SER B 67 11.292 -5.737 -5.933 1.00 0.00 O ATOM 0 H SER B 67 10.594 -6.256 -3.695 1.00 0.00 H new ATOM 0 HA SER B 67 13.489 -6.314 -3.452 1.00 0.00 H new ATOM 0 HB2 SER B 67 13.348 -5.854 -5.921 1.00 0.00 H new ATOM 0 HB3 SER B 67 12.516 -7.313 -5.421 1.00 0.00 H new ATOM 0 HG SER B 67 10.830 -5.159 -5.290 1.00 0.00 H new ATOM 2368 N SER B 68 11.933 -3.558 -3.248 1.00 0.00 N ATOM 2369 CA SER B 68 12.059 -2.109 -3.144 1.00 0.00 C ATOM 2370 C SER B 68 12.281 -1.677 -1.693 1.00 0.00 C ATOM 2371 O SER B 68 12.700 -0.548 -1.432 1.00 0.00 O ATOM 2372 CB SER B 68 10.807 -1.432 -3.714 1.00 0.00 C ATOM 2373 OG SER B 68 10.953 -0.021 -3.749 1.00 0.00 O ATOM 0 H SER B 68 11.061 -3.936 -2.879 1.00 0.00 H new ATOM 0 HA SER B 68 12.929 -1.799 -3.724 1.00 0.00 H new ATOM 0 HB2 SER B 68 10.616 -1.805 -4.720 1.00 0.00 H new ATOM 0 HB3 SER B 68 9.941 -1.695 -3.107 1.00 0.00 H new ATOM 0 HG SER B 68 10.140 0.383 -4.118 1.00 0.00 H new ATOM 2379 N ILE B 69 12.013 -2.585 -0.758 1.00 0.00 N ATOM 2380 CA ILE B 69 12.139 -2.287 0.667 1.00 0.00 C ATOM 2381 C ILE B 69 13.611 -2.225 1.084 1.00 0.00 C ATOM 2382 O ILE B 69 13.948 -1.847 2.210 1.00 0.00 O ATOM 2383 CB ILE B 69 11.388 -3.341 1.523 1.00 0.00 C ATOM 2384 CG1 ILE B 69 11.164 -2.826 2.946 1.00 0.00 C ATOM 2385 CG2 ILE B 69 12.144 -4.661 1.551 1.00 0.00 C ATOM 2386 CD1 ILE B 69 10.234 -1.635 3.013 1.00 0.00 C ATOM 0 H ILE B 69 11.706 -3.536 -0.962 1.00 0.00 H new ATOM 0 HA ILE B 69 11.686 -1.311 0.842 1.00 0.00 H new ATOM 0 HB ILE B 69 10.416 -3.514 1.061 1.00 0.00 H new ATOM 0 HG12 ILE B 69 10.756 -3.632 3.556 1.00 0.00 H new ATOM 0 HG13 ILE B 69 12.125 -2.552 3.381 1.00 0.00 H new ATOM 0 HG21 ILE B 69 11.596 -5.382 2.158 1.00 0.00 H new ATOM 0 HG22 ILE B 69 12.245 -5.044 0.536 1.00 0.00 H new ATOM 0 HG23 ILE B 69 13.134 -4.504 1.980 1.00 0.00 H new ATOM 0 HD11 ILE B 69 10.119 -1.321 4.050 1.00 0.00 H new ATOM 0 HD12 ILE B 69 10.651 -0.814 2.430 1.00 0.00 H new ATOM 0 HD13 ILE B 69 9.260 -1.910 2.607 1.00 0.00 H new ATOM 2398 N ASN B 70 14.489 -2.590 0.166 1.00 0.00 N ATOM 2399 CA ASN B 70 15.917 -2.548 0.420 1.00 0.00 C ATOM 2400 C ASN B 70 16.637 -1.890 -0.747 1.00 0.00 C ATOM 2401 O ASN B 70 16.499 -2.316 -1.894 1.00 0.00 O ATOM 2402 CB ASN B 70 16.468 -3.952 0.665 1.00 0.00 C ATOM 2403 CG ASN B 70 17.960 -3.940 0.931 1.00 0.00 C ATOM 2404 OD1 ASN B 70 18.763 -4.062 0.010 1.00 0.00 O ATOM 2405 ND2 ASN B 70 18.343 -3.797 2.191 1.00 0.00 N ATOM 0 H ASN B 70 14.236 -2.920 -0.765 1.00 0.00 H new ATOM 0 HA ASN B 70 16.090 -1.956 1.319 1.00 0.00 H new ATOM 0 HB2 ASN B 70 15.952 -4.400 1.514 1.00 0.00 H new ATOM 0 HB3 ASN B 70 16.260 -4.579 -0.202 1.00 0.00 H new ATOM 0 HD21 ASN B 70 19.336 -3.785 2.424 1.00 0.00 H new ATOM 0 HD22 ASN B 70 17.645 -3.698 2.928 1.00 0.00 H new ATOM 2412 N GLU B 71 17.403 -0.857 -0.439 1.00 0.00 N ATOM 2413 CA GLU B 71 18.092 -0.070 -1.453 1.00 0.00 C ATOM 2414 C GLU B 71 19.582 -0.396 -1.502 1.00 0.00 C ATOM 2415 O GLU B 71 20.355 0.302 -2.158 1.00 0.00 O ATOM 2416 CB GLU B 71 17.894 1.433 -1.193 1.00 0.00 C ATOM 2417 CG GLU B 71 17.762 1.821 0.282 1.00 0.00 C ATOM 2418 CD GLU B 71 18.838 1.224 1.171 1.00 0.00 C ATOM 2419 OE1 GLU B 71 20.008 1.652 1.075 1.00 0.00 O ATOM 2420 OE2 GLU B 71 18.508 0.310 1.959 1.00 0.00 O ATOM 0 H GLU B 71 17.566 -0.540 0.517 1.00 0.00 H new ATOM 0 HA GLU B 71 17.658 -0.329 -2.419 1.00 0.00 H new ATOM 0 HB2 GLU B 71 18.737 1.975 -1.622 1.00 0.00 H new ATOM 0 HB3 GLU B 71 17.000 1.764 -1.722 1.00 0.00 H new ATOM 0 HG2 GLU B 71 17.795 2.907 0.367 1.00 0.00 H new ATOM 0 HG3 GLU B 71 16.785 1.503 0.646 1.00 0.00 H new ATOM 2427 N ASP B 72 19.977 -1.462 -0.820 1.00 0.00 N ATOM 2428 CA ASP B 72 21.382 -1.839 -0.750 1.00 0.00 C ATOM 2429 C ASP B 72 21.835 -2.487 -2.052 1.00 0.00 C ATOM 2430 O ASP B 72 21.513 -3.641 -2.332 1.00 0.00 O ATOM 2431 CB ASP B 72 21.637 -2.786 0.427 1.00 0.00 C ATOM 2432 CG ASP B 72 23.086 -3.223 0.516 1.00 0.00 C ATOM 2433 OD1 ASP B 72 23.919 -2.441 1.018 1.00 0.00 O ATOM 2434 OD2 ASP B 72 23.405 -4.351 0.081 1.00 0.00 O ATOM 0 H ASP B 72 19.347 -2.080 -0.309 1.00 0.00 H new ATOM 0 HA ASP B 72 21.962 -0.930 -0.594 1.00 0.00 H new ATOM 0 HB2 ASP B 72 21.352 -2.291 1.356 1.00 0.00 H new ATOM 0 HB3 ASP B 72 21.001 -3.665 0.326 1.00 0.00 H new ATOM 2439 N LYS B 73 22.545 -1.719 -2.858 1.00 0.00 N ATOM 2440 CA LYS B 73 23.142 -2.228 -4.079 1.00 0.00 C ATOM 2441 C LYS B 73 24.653 -2.244 -3.927 1.00 0.00 C ATOM 2442 O LYS B 73 25.212 -1.417 -3.202 1.00 0.00 O ATOM 2443 CB LYS B 73 22.761 -1.353 -5.277 1.00 0.00 C ATOM 2444 CG LYS B 73 21.279 -1.348 -5.613 1.00 0.00 C ATOM 2445 CD LYS B 73 20.790 -2.727 -6.025 1.00 0.00 C ATOM 2446 CE LYS B 73 19.414 -2.659 -6.668 1.00 0.00 C ATOM 2447 NZ LYS B 73 19.442 -1.944 -7.976 1.00 0.00 N ATOM 0 H LYS B 73 22.723 -0.730 -2.686 1.00 0.00 H new ATOM 0 HA LYS B 73 22.771 -3.238 -4.255 1.00 0.00 H new ATOM 0 HB2 LYS B 73 23.078 -0.329 -5.078 1.00 0.00 H new ATOM 0 HB3 LYS B 73 23.317 -1.694 -6.150 1.00 0.00 H new ATOM 0 HG2 LYS B 73 20.711 -1.004 -4.748 1.00 0.00 H new ATOM 0 HG3 LYS B 73 21.091 -0.640 -6.420 1.00 0.00 H new ATOM 0 HD2 LYS B 73 21.498 -3.172 -6.724 1.00 0.00 H new ATOM 0 HD3 LYS B 73 20.753 -3.378 -5.151 1.00 0.00 H new ATOM 0 HE2 LYS B 73 19.033 -3.669 -6.816 1.00 0.00 H new ATOM 0 HE3 LYS B 73 18.723 -2.153 -5.993 1.00 0.00 H new ATOM 0 HZ1 LYS B 73 18.593 -2.189 -8.524 1.00 0.00 H new ATOM 0 HZ2 LYS B 73 19.463 -0.918 -7.810 1.00 0.00 H new ATOM 0 HZ3 LYS B 73 20.290 -2.226 -8.508 1.00 0.00 H new ATOM 2461 N ALA B 74 25.311 -3.175 -4.597 1.00 0.00 N ATOM 2462 CA ALA B 74 26.760 -3.225 -4.588 1.00 0.00 C ATOM 2463 C ALA B 74 27.316 -2.062 -5.397 1.00 0.00 C ATOM 2464 O ALA B 74 27.480 -2.153 -6.615 1.00 0.00 O ATOM 2465 CB ALA B 74 27.260 -4.555 -5.134 1.00 0.00 C ATOM 0 H ALA B 74 24.864 -3.904 -5.153 1.00 0.00 H new ATOM 0 HA ALA B 74 27.111 -3.139 -3.560 1.00 0.00 H new ATOM 0 HB1 ALA B 74 28.350 -4.569 -5.117 1.00 0.00 H new ATOM 0 HB2 ALA B 74 26.877 -5.368 -4.517 1.00 0.00 H new ATOM 0 HB3 ALA B 74 26.911 -4.682 -6.159 1.00 0.00 H new ATOM 2471 N HIS B 75 27.573 -0.957 -4.719 1.00 0.00 N ATOM 2472 CA HIS B 75 28.014 0.253 -5.386 1.00 0.00 C ATOM 2473 C HIS B 75 29.467 0.545 -5.058 1.00 0.00 C ATOM 2474 O HIS B 75 29.861 0.601 -3.890 1.00 0.00 O ATOM 2475 CB HIS B 75 27.113 1.449 -5.025 1.00 0.00 C ATOM 2476 CG HIS B 75 27.043 1.780 -3.559 1.00 0.00 C ATOM 2477 ND1 HIS B 75 26.126 1.211 -2.704 1.00 0.00 N ATOM 2478 CD2 HIS B 75 27.759 2.650 -2.806 1.00 0.00 C ATOM 2479 CE1 HIS B 75 26.279 1.714 -1.496 1.00 0.00 C ATOM 2480 NE2 HIS B 75 27.262 2.592 -1.526 1.00 0.00 N ATOM 0 H HIS B 75 27.483 -0.874 -3.706 1.00 0.00 H new ATOM 0 HA HIS B 75 27.933 0.094 -6.461 1.00 0.00 H new ATOM 0 HB2 HIS B 75 27.470 2.327 -5.563 1.00 0.00 H new ATOM 0 HB3 HIS B 75 26.104 1.244 -5.383 1.00 0.00 H new ATOM 0 HD1 HIS B 75 25.435 0.508 -2.966 1.00 0.00 H new ATOM 0 HD2 HIS B 75 28.571 3.274 -3.149 1.00 0.00 H new ATOM 0 HE1 HIS B 75 25.696 1.451 -0.626 1.00 0.00 H new ATOM 2489 N LEU B 76 30.262 0.701 -6.099 1.00 0.00 N ATOM 2490 CA LEU B 76 31.661 1.040 -5.942 1.00 0.00 C ATOM 2491 C LEU B 76 31.808 2.534 -5.703 1.00 0.00 C ATOM 2492 O LEU B 76 31.813 3.331 -6.643 1.00 0.00 O ATOM 2493 CB LEU B 76 32.459 0.613 -7.177 1.00 0.00 C ATOM 2494 CG LEU B 76 33.948 0.975 -7.153 1.00 0.00 C ATOM 2495 CD1 LEU B 76 34.631 0.362 -5.938 1.00 0.00 C ATOM 2496 CD2 LEU B 76 34.626 0.514 -8.435 1.00 0.00 C ATOM 0 H LEU B 76 29.959 0.597 -7.068 1.00 0.00 H new ATOM 0 HA LEU B 76 32.058 0.505 -5.079 1.00 0.00 H new ATOM 0 HB2 LEU B 76 32.367 -0.467 -7.293 1.00 0.00 H new ATOM 0 HB3 LEU B 76 32.006 1.068 -8.057 1.00 0.00 H new ATOM 0 HG LEU B 76 34.037 2.059 -7.084 1.00 0.00 H new ATOM 0 HD11 LEU B 76 35.687 0.631 -5.940 1.00 0.00 H new ATOM 0 HD12 LEU B 76 34.162 0.738 -5.029 1.00 0.00 H new ATOM 0 HD13 LEU B 76 34.533 -0.723 -5.974 1.00 0.00 H new ATOM 0 HD21 LEU B 76 35.683 0.778 -8.403 1.00 0.00 H new ATOM 0 HD22 LEU B 76 34.525 -0.567 -8.532 1.00 0.00 H new ATOM 0 HD23 LEU B 76 34.156 1.000 -9.290 1.00 0.00 H new ATOM 2508 N GLU B 77 31.885 2.909 -4.439 1.00 0.00 N ATOM 2509 CA GLU B 77 32.083 4.296 -4.073 1.00 0.00 C ATOM 2510 C GLU B 77 33.572 4.576 -4.018 1.00 0.00 C ATOM 2511 O GLU B 77 34.048 5.544 -4.614 1.00 0.00 O ATOM 2512 CB GLU B 77 31.429 4.586 -2.712 1.00 0.00 C ATOM 2513 CG GLU B 77 31.301 6.069 -2.361 1.00 0.00 C ATOM 2514 CD GLU B 77 32.633 6.781 -2.186 1.00 0.00 C ATOM 2515 OE1 GLU B 77 33.352 6.486 -1.207 1.00 0.00 O ATOM 2516 OE2 GLU B 77 32.961 7.649 -3.025 1.00 0.00 O ATOM 0 H GLU B 77 31.813 2.269 -3.648 1.00 0.00 H new ATOM 0 HA GLU B 77 31.617 4.944 -4.815 1.00 0.00 H new ATOM 0 HB2 GLU B 77 30.435 4.138 -2.700 1.00 0.00 H new ATOM 0 HB3 GLU B 77 32.011 4.092 -1.933 1.00 0.00 H new ATOM 0 HG2 GLU B 77 30.734 6.570 -3.145 1.00 0.00 H new ATOM 0 HG3 GLU B 77 30.726 6.165 -1.440 1.00 0.00 H new ATOM 2523 N HIS B 78 34.297 3.687 -3.333 1.00 0.00 N ATOM 2524 CA HIS B 78 35.713 3.888 -3.036 1.00 0.00 C ATOM 2525 C HIS B 78 36.489 4.328 -4.271 1.00 0.00 C ATOM 2526 O HIS B 78 36.735 3.540 -5.185 1.00 0.00 O ATOM 2527 CB HIS B 78 36.333 2.612 -2.454 1.00 0.00 C ATOM 2528 CG HIS B 78 37.694 2.829 -1.856 1.00 0.00 C ATOM 2529 ND1 HIS B 78 37.946 2.733 -0.506 1.00 0.00 N ATOM 2530 CD2 HIS B 78 38.879 3.152 -2.432 1.00 0.00 C ATOM 2531 CE1 HIS B 78 39.219 2.990 -0.277 1.00 0.00 C ATOM 2532 NE2 HIS B 78 39.809 3.250 -1.429 1.00 0.00 N ATOM 0 H HIS B 78 33.918 2.812 -2.971 1.00 0.00 H new ATOM 0 HA HIS B 78 35.778 4.684 -2.294 1.00 0.00 H new ATOM 0 HB2 HIS B 78 35.668 2.210 -1.689 1.00 0.00 H new ATOM 0 HB3 HIS B 78 36.405 1.861 -3.240 1.00 0.00 H new ATOM 0 HD2 HIS B 78 39.057 3.304 -3.486 1.00 0.00 H new ATOM 0 HE1 HIS B 78 39.698 2.988 0.691 1.00 0.00 H new ATOM 0 HE2 HIS B 78 40.794 3.485 -1.553 1.00 0.00 H new ATOM 2541 N HIS B 79 36.855 5.596 -4.287 1.00 0.00 N ATOM 2542 CA HIS B 79 37.645 6.146 -5.371 1.00 0.00 C ATOM 2543 C HIS B 79 39.122 6.078 -5.023 1.00 0.00 C ATOM 2544 O HIS B 79 39.506 6.328 -3.881 1.00 0.00 O ATOM 2545 CB HIS B 79 37.211 7.583 -5.704 1.00 0.00 C ATOM 2546 CG HIS B 79 37.042 8.482 -4.514 1.00 0.00 C ATOM 2547 ND1 HIS B 79 35.820 8.716 -3.919 1.00 0.00 N ATOM 2548 CD2 HIS B 79 37.941 9.219 -3.822 1.00 0.00 C ATOM 2549 CE1 HIS B 79 35.975 9.559 -2.917 1.00 0.00 C ATOM 2550 NE2 HIS B 79 37.253 9.878 -2.836 1.00 0.00 N ATOM 0 H HIS B 79 36.616 6.267 -3.557 1.00 0.00 H new ATOM 0 HA HIS B 79 37.474 5.546 -6.265 1.00 0.00 H new ATOM 0 HB2 HIS B 79 37.949 8.025 -6.373 1.00 0.00 H new ATOM 0 HB3 HIS B 79 36.268 7.545 -6.250 1.00 0.00 H new ATOM 0 HD2 HIS B 79 39.003 9.277 -4.011 1.00 0.00 H new ATOM 0 HE1 HIS B 79 35.190 9.926 -2.272 1.00 0.00 H new ATOM 0 HE2 HIS B 79 37.663 10.512 -2.150 1.00 0.00 H new ATOM 2559 N HIS B 80 39.927 5.723 -6.019 1.00 0.00 N ATOM 2560 CA HIS B 80 41.356 5.465 -5.852 1.00 0.00 C ATOM 2561 C HIS B 80 41.582 4.128 -5.163 1.00 0.00 C ATOM 2562 O HIS B 80 41.677 4.054 -3.938 1.00 0.00 O ATOM 2563 CB HIS B 80 42.082 6.581 -5.083 1.00 0.00 C ATOM 2564 CG HIS B 80 42.346 7.813 -5.891 1.00 0.00 C ATOM 2565 ND1 HIS B 80 42.211 9.087 -5.386 1.00 0.00 N ATOM 2566 CD2 HIS B 80 42.779 7.961 -7.165 1.00 0.00 C ATOM 2567 CE1 HIS B 80 42.542 9.963 -6.315 1.00 0.00 C ATOM 2568 NE2 HIS B 80 42.891 9.307 -7.403 1.00 0.00 N ATOM 0 H HIS B 80 39.602 5.604 -6.979 1.00 0.00 H new ATOM 0 HA HIS B 80 41.783 5.437 -6.855 1.00 0.00 H new ATOM 0 HB2 HIS B 80 41.486 6.853 -4.211 1.00 0.00 H new ATOM 0 HB3 HIS B 80 43.031 6.193 -4.712 1.00 0.00 H new ATOM 0 HD2 HIS B 80 42.996 7.167 -7.864 1.00 0.00 H new ATOM 0 HE1 HIS B 80 42.529 11.037 -6.203 1.00 0.00 H new ATOM 0 HE2 HIS B 80 43.195 9.731 -8.279 1.00 0.00 H new ATOM 2577 N HIS B 81 41.630 3.067 -5.955 1.00 0.00 N ATOM 2578 CA HIS B 81 41.986 1.753 -5.444 1.00 0.00 C ATOM 2579 C HIS B 81 43.466 1.739 -5.102 1.00 0.00 C ATOM 2580 O HIS B 81 44.318 1.669 -5.990 1.00 0.00 O ATOM 2581 CB HIS B 81 41.666 0.660 -6.469 1.00 0.00 C ATOM 2582 CG HIS B 81 40.202 0.390 -6.630 1.00 0.00 C ATOM 2583 ND1 HIS B 81 39.395 -0.496 -6.003 1.00 0.00 N flip ATOM 2584 CD2 HIS B 81 39.405 1.057 -7.532 1.00 0.00 C flip ATOM 2585 CE1 HIS B 81 38.138 -0.352 -6.533 1.00 0.00 C flip ATOM 2586 NE2 HIS B 81 38.172 0.594 -7.454 1.00 0.00 N flip ATOM 0 H HIS B 81 41.427 3.091 -6.954 1.00 0.00 H new ATOM 0 HA HIS B 81 41.400 1.549 -4.548 1.00 0.00 H new ATOM 0 HB2 HIS B 81 42.081 0.949 -7.435 1.00 0.00 H new ATOM 0 HB3 HIS B 81 42.165 -0.262 -6.170 1.00 0.00 H new ATOM 0 HD1 HIS B 81 39.670 -1.151 -5.271 1.00 0.00 H new ATOM 0 HD2 HIS B 81 39.737 1.838 -8.200 1.00 0.00 H new ATOM 0 HE1 HIS B 81 37.265 -0.919 -6.245 1.00 0.00 H new ATOM 2595 N HIS B 82 43.770 1.839 -3.822 1.00 0.00 N ATOM 2596 CA HIS B 82 45.144 1.993 -3.381 1.00 0.00 C ATOM 2597 C HIS B 82 45.386 1.230 -2.087 1.00 0.00 C ATOM 2598 O HIS B 82 44.590 1.310 -1.150 1.00 0.00 O ATOM 2599 CB HIS B 82 45.449 3.480 -3.189 1.00 0.00 C ATOM 2600 CG HIS B 82 46.892 3.788 -2.935 1.00 0.00 C ATOM 2601 ND1 HIS B 82 47.828 3.871 -3.941 1.00 0.00 N ATOM 2602 CD2 HIS B 82 47.555 4.050 -1.783 1.00 0.00 C ATOM 2603 CE1 HIS B 82 49.002 4.173 -3.422 1.00 0.00 C ATOM 2604 NE2 HIS B 82 48.863 4.286 -2.117 1.00 0.00 N ATOM 0 H HIS B 82 43.083 1.816 -3.068 1.00 0.00 H new ATOM 0 HA HIS B 82 45.809 1.581 -4.140 1.00 0.00 H new ATOM 0 HB2 HIS B 82 45.125 4.022 -4.077 1.00 0.00 H new ATOM 0 HB3 HIS B 82 44.858 3.855 -2.354 1.00 0.00 H new ATOM 0 HD2 HIS B 82 47.133 4.069 -0.789 1.00 0.00 H new ATOM 0 HE1 HIS B 82 49.921 4.305 -3.973 1.00 0.00 H new ATOM 0 HE2 HIS B 82 49.610 4.513 -1.460 1.00 0.00 H new ATOM 2613 N HIS B 83 46.485 0.494 -2.048 1.00 0.00 N ATOM 2614 CA HIS B 83 46.875 -0.243 -0.857 1.00 0.00 C ATOM 2615 C HIS B 83 47.667 0.662 0.078 1.00 0.00 C ATOM 2616 O HIS B 83 47.087 1.143 1.070 1.00 0.00 O ATOM 2617 CB HIS B 83 47.701 -1.476 -1.244 1.00 0.00 C ATOM 2618 CG HIS B 83 48.172 -2.288 -0.076 1.00 0.00 C ATOM 2619 ND1 HIS B 83 49.491 -2.341 0.318 1.00 0.00 N ATOM 2620 CD2 HIS B 83 47.496 -3.094 0.775 1.00 0.00 C ATOM 2621 CE1 HIS B 83 49.605 -3.145 1.356 1.00 0.00 C ATOM 2622 NE2 HIS B 83 48.410 -3.616 1.655 1.00 0.00 N ATOM 2623 OXT HIS B 83 48.858 0.906 -0.199 1.00 0.00 O ATOM 0 H HIS B 83 47.127 0.391 -2.834 1.00 0.00 H new ATOM 0 HA HIS B 83 45.978 -0.580 -0.337 1.00 0.00 H new ATOM 0 HB2 HIS B 83 47.102 -2.111 -1.896 1.00 0.00 H new ATOM 0 HB3 HIS B 83 48.567 -1.153 -1.821 1.00 0.00 H new ATOM 0 HD2 HIS B 83 46.434 -3.290 0.764 1.00 0.00 H new ATOM 0 HE1 HIS B 83 50.523 -3.379 1.875 1.00 0.00 H new ATOM 0 HE2 HIS B 83 48.200 -4.262 2.416 1.00 0.00 H new TER 2632 HIS B 83