USER MOD reduce.3.24.130724 H: found=0, std=0, add=1091, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1090 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 8 GLN : amide:sc= 0.0385 K(o=-2.1,f=-6.2) USER MOD Set 1.2: A 11 LYS NZ :NH3+ -111:sc= -2.09! (180deg=-4.2!) USER MOD Single : A 10 SER OG : rot 115:sc= 1.23 USER MOD Single : A 14 ASN : amide:sc= -5.92! C(o=-5.9!,f=-1.5!) USER MOD Single : A 20 LYS NZ :NH3+ -116:sc= -0.854 (180deg=-2.41!) USER MOD Single : A 22 SER OG : rot 69:sc= -2.49 USER MOD Single : A 25 CYS SG : rot 71:sc= 0.49 USER MOD Single : A 28 LYS NZ :NH3+ 135:sc= -3.18! (180deg=-5.73!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 76:sc= 0.904 USER MOD Single : A 37 HIS : no HD1:sc= -0.0089 K(o=-0.0089,f=-0.89) USER MOD Single : A 41 GLN : amide:sc= -0.0582 K(o=-0.058,f=-1.3!) USER MOD Single : A 42 THR OG1 : rot 101:sc= 1.17 USER MOD Single : A 45 GLN : amide:sc= -2.26! C(o=-2.3!,f=-2!) USER MOD Single : A 46 ASN : amide:sc= -7.66! C(o=-7.7!,f=-22!) USER MOD Single : A 48 CYS SG : rot -168:sc= -4.89! USER MOD Single : A 53 SER OG : rot 64:sc= 0.328! USER MOD Single : A 60 THR OG1 : rot -110:sc= -0.0152 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0065 USER MOD Single : A 63 ASN : amide:sc= -2! X(o=-2!,f=-2.3) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.23 X(o=-1.2,f=-0.98) USER MOD Single : A 72 SER OG : rot 180:sc= 0.102 USER MOD Single : A 74 GLN : amide:sc= -1.11! K(o=-1.1!,f=0) USER MOD Single : A 77 GLN : amide:sc= -0.0539 X(o=-0.054,f=0.37) USER MOD Single : A 79 GLN : amide:sc= -5.73! C(o=-5.7!,f=-3.5!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= -0.0697 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 178:sc= -2.35! (180deg=-2.45!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00107) USER MOD Single : A 101 MET CE :methyl -150:sc= -1.52 (180deg=-2.34!) USER MOD Single : A 104 ASN : amide:sc= -0.843 K(o=-0.84,f=-1.4!) USER MOD Single : A 107 CYS SG : rot -142:sc= -15.7! USER MOD Single : A 111 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0258) USER MOD Single : A 117 HIS : no HD1:sc= -7.07! C(o=-7.1!,f=-8.9!) USER MOD Single : A 122 MET CE :methyl 150:sc= -0.128 (180deg=-0.824) USER MOD Single : A 124 CYS SG : rot -50:sc= -0.942 USER MOD Single : A 133 GLN : amide:sc=-0.00325 K(o=-0.0033,f=-1.5!) USER MOD Single : A 134 GLN : amide:sc= -0.0256 K(o=-0.026,f=-0.96) USER MOD Single : A 140 GLN : amide:sc= -0.898 K(o=-0.9,f=-1.9!) USER MOD Single : A 141 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 -15.488 -22.123 -0.222 1.00 0.00 N ATOM 2 CA VAL A 4 -15.774 -22.445 -1.652 1.00 0.00 C ATOM 3 C VAL A 4 -15.006 -23.699 -2.055 1.00 0.00 C ATOM 4 O VAL A 4 -14.858 -24.631 -1.291 1.00 0.00 O ATOM 5 CB VAL A 4 -15.338 -21.274 -2.550 1.00 0.00 C ATOM 6 CG1 VAL A 4 -16.137 -21.299 -3.869 1.00 0.00 C ATOM 7 CG2 VAL A 4 -15.600 -19.959 -1.810 1.00 0.00 C ATOM 0 HA VAL A 4 -16.844 -22.614 -1.772 1.00 0.00 H new ATOM 0 HB VAL A 4 -14.276 -21.363 -2.781 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -15.824 -20.467 -4.500 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -15.952 -22.239 -4.389 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -17.201 -21.208 -3.652 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -15.295 -19.121 -2.437 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -16.663 -19.874 -1.584 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -15.029 -19.944 -0.882 1.00 0.00 H new ATOM 17 N VAL A 5 -14.505 -23.718 -3.252 1.00 0.00 N ATOM 18 CA VAL A 5 -13.743 -24.893 -3.719 1.00 0.00 C ATOM 19 C VAL A 5 -12.457 -25.033 -2.866 1.00 0.00 C ATOM 20 O VAL A 5 -11.698 -24.098 -2.751 1.00 0.00 O ATOM 21 CB VAL A 5 -13.402 -24.666 -5.200 1.00 0.00 C ATOM 22 CG1 VAL A 5 -12.769 -23.286 -5.411 1.00 0.00 C ATOM 23 CG2 VAL A 5 -12.447 -25.748 -5.671 1.00 0.00 C ATOM 0 H VAL A 5 -14.593 -22.962 -3.931 1.00 0.00 H new ATOM 0 HA VAL A 5 -14.320 -25.812 -3.615 1.00 0.00 H new ATOM 0 HB VAL A 5 -14.324 -24.711 -5.780 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -12.537 -23.150 -6.467 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -13.467 -22.513 -5.090 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -11.852 -23.213 -4.826 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.205 -25.587 -6.722 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -11.533 -25.710 -5.078 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -12.916 -26.725 -5.552 1.00 0.00 H new ATOM 33 N PRO A 6 -12.190 -26.183 -2.259 1.00 0.00 N ATOM 34 CA PRO A 6 -10.953 -26.369 -1.428 1.00 0.00 C ATOM 35 C PRO A 6 -9.664 -25.952 -2.144 1.00 0.00 C ATOM 36 O PRO A 6 -8.580 -26.169 -1.644 1.00 0.00 O ATOM 37 CB PRO A 6 -10.913 -27.877 -1.162 1.00 0.00 C ATOM 38 CG PRO A 6 -12.336 -28.321 -1.233 1.00 0.00 C ATOM 39 CD PRO A 6 -13.017 -27.414 -2.264 1.00 0.00 C ATOM 0 HA PRO A 6 -10.999 -25.748 -0.534 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -10.302 -28.392 -1.903 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -10.480 -28.094 -0.185 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -12.403 -29.367 -1.531 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -12.819 -28.235 -0.260 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -13.038 -27.877 -3.251 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -14.050 -27.202 -1.989 1.00 0.00 H new ATOM 47 N ASP A 7 -9.747 -25.391 -3.321 1.00 0.00 N ATOM 48 CA ASP A 7 -8.479 -25.016 -4.031 1.00 0.00 C ATOM 49 C ASP A 7 -7.932 -23.666 -3.535 1.00 0.00 C ATOM 50 O ASP A 7 -6.839 -23.272 -3.892 1.00 0.00 O ATOM 51 CB ASP A 7 -8.734 -24.966 -5.541 1.00 0.00 C ATOM 52 CG ASP A 7 -9.642 -23.788 -5.893 1.00 0.00 C ATOM 53 OD1 ASP A 7 -9.657 -22.819 -5.157 1.00 0.00 O ATOM 54 OD2 ASP A 7 -10.304 -23.879 -6.909 1.00 0.00 O ATOM 0 H ASP A 7 -10.613 -25.178 -3.816 1.00 0.00 H new ATOM 0 HA ASP A 7 -7.726 -25.774 -3.813 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.787 -24.874 -6.073 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -9.194 -25.898 -5.869 1.00 0.00 H new ATOM 59 N GLN A 8 -8.662 -22.966 -2.705 1.00 0.00 N ATOM 60 CA GLN A 8 -8.163 -21.660 -2.179 1.00 0.00 C ATOM 61 C GLN A 8 -7.135 -21.968 -1.083 1.00 0.00 C ATOM 62 O GLN A 8 -5.969 -21.648 -1.181 1.00 0.00 O ATOM 63 CB GLN A 8 -9.349 -20.916 -1.555 1.00 0.00 C ATOM 64 CG GLN A 8 -10.497 -20.781 -2.565 1.00 0.00 C ATOM 65 CD GLN A 8 -10.029 -19.956 -3.767 1.00 0.00 C ATOM 66 OE1 GLN A 8 -9.257 -19.030 -3.612 1.00 0.00 O ATOM 67 NE2 GLN A 8 -10.478 -20.236 -4.959 1.00 0.00 N ATOM 0 H GLN A 8 -9.584 -23.243 -2.368 1.00 0.00 H new ATOM 0 HA GLN A 8 -7.715 -21.056 -2.968 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -9.696 -21.451 -0.671 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -9.031 -19.927 -1.224 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.824 -21.768 -2.893 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.355 -20.301 -2.094 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -11.126 -21.013 -5.090 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -10.181 -19.678 -5.760 1.00 0.00 H new ATOM 76 N ARG A 9 -7.565 -22.607 -0.041 1.00 0.00 N ATOM 77 CA ARG A 9 -6.631 -22.974 1.059 1.00 0.00 C ATOM 78 C ARG A 9 -5.431 -23.776 0.528 1.00 0.00 C ATOM 79 O ARG A 9 -4.311 -23.606 0.966 1.00 0.00 O ATOM 80 CB ARG A 9 -7.389 -23.814 2.074 1.00 0.00 C ATOM 81 CG ARG A 9 -6.498 -24.054 3.295 1.00 0.00 C ATOM 82 CD ARG A 9 -7.261 -24.870 4.335 1.00 0.00 C ATOM 83 NE ARG A 9 -7.490 -26.244 3.818 1.00 0.00 N ATOM 84 CZ ARG A 9 -7.755 -27.214 4.654 1.00 0.00 C ATOM 85 NH1 ARG A 9 -7.704 -26.997 5.937 1.00 0.00 N ATOM 86 NH2 ARG A 9 -8.029 -28.408 4.213 1.00 0.00 N ATOM 0 H ARG A 9 -8.533 -22.896 0.102 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.250 -22.062 1.518 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.306 -23.306 2.372 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.682 -24.765 1.630 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -5.592 -24.582 2.998 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -6.186 -23.101 3.723 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.696 -24.910 5.267 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -8.214 -24.391 4.560 1.00 0.00 H new ATOM 0 HE ARG A 9 -7.441 -26.430 2.816 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -7.458 -26.072 6.288 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -7.910 -27.752 6.591 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.038 -28.592 3.210 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -8.235 -29.160 4.871 1.00 0.00 H new ATOM 100 N SER A 10 -5.665 -24.690 -0.376 1.00 0.00 N ATOM 101 CA SER A 10 -4.546 -25.521 -0.891 1.00 0.00 C ATOM 102 C SER A 10 -3.564 -24.670 -1.710 1.00 0.00 C ATOM 103 O SER A 10 -2.375 -24.652 -1.450 1.00 0.00 O ATOM 104 CB SER A 10 -5.136 -26.627 -1.758 1.00 0.00 C ATOM 105 OG SER A 10 -6.288 -27.151 -1.109 1.00 0.00 O ATOM 0 H SER A 10 -6.580 -24.894 -0.777 1.00 0.00 H new ATOM 0 HA SER A 10 -3.992 -25.950 -0.056 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.401 -26.236 -2.740 1.00 0.00 H new ATOM 0 HB3 SER A 10 -4.400 -27.416 -1.917 1.00 0.00 H new ATOM 0 HG SER A 10 -7.083 -26.958 -1.648 1.00 0.00 H new ATOM 111 N LYS A 11 -4.038 -23.952 -2.698 1.00 0.00 N ATOM 112 CA LYS A 11 -3.091 -23.122 -3.485 1.00 0.00 C ATOM 113 C LYS A 11 -2.451 -22.116 -2.543 1.00 0.00 C ATOM 114 O LYS A 11 -1.302 -21.765 -2.681 1.00 0.00 O ATOM 115 CB LYS A 11 -3.822 -22.409 -4.645 1.00 0.00 C ATOM 116 CG LYS A 11 -4.633 -21.205 -4.133 1.00 0.00 C ATOM 117 CD LYS A 11 -5.529 -20.650 -5.252 1.00 0.00 C ATOM 118 CE LYS A 11 -5.936 -19.208 -4.908 1.00 0.00 C ATOM 119 NZ LYS A 11 -6.329 -19.128 -3.471 1.00 0.00 N ATOM 0 H LYS A 11 -5.016 -23.907 -2.985 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.321 -23.752 -3.931 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.095 -22.074 -5.385 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.487 -23.112 -5.147 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.245 -21.506 -3.283 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.957 -20.426 -3.779 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.998 -20.673 -6.204 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.416 -21.273 -5.366 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.108 -18.528 -5.107 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.766 -18.893 -5.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.352 -18.957 -3.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.094 -20.023 -2.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.815 -18.348 -3.013 1.00 0.00 H new ATOM 133 N PHE A 12 -3.193 -21.654 -1.581 1.00 0.00 N ATOM 134 CA PHE A 12 -2.636 -20.668 -0.621 1.00 0.00 C ATOM 135 C PHE A 12 -1.434 -21.257 0.158 1.00 0.00 C ATOM 136 O PHE A 12 -0.407 -20.623 0.289 1.00 0.00 O ATOM 137 CB PHE A 12 -3.763 -20.226 0.342 1.00 0.00 C ATOM 138 CG PHE A 12 -3.182 -19.768 1.672 1.00 0.00 C ATOM 139 CD1 PHE A 12 -2.540 -18.522 1.788 1.00 0.00 C ATOM 140 CD2 PHE A 12 -3.252 -20.624 2.781 1.00 0.00 C ATOM 141 CE1 PHE A 12 -1.974 -18.149 3.018 1.00 0.00 C ATOM 142 CE2 PHE A 12 -2.694 -20.240 4.003 1.00 0.00 C ATOM 143 CZ PHE A 12 -2.053 -19.006 4.122 1.00 0.00 C ATOM 0 H PHE A 12 -4.165 -21.918 -1.418 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.262 -19.802 -1.167 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.337 -19.416 -0.108 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.454 -21.053 0.506 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.483 -17.858 0.938 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.739 -21.584 2.690 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.475 -17.196 3.113 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.759 -20.899 4.856 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.618 -18.712 5.066 1.00 0.00 H new ATOM 153 N GLU A 13 -1.567 -22.421 0.729 1.00 0.00 N ATOM 154 CA GLU A 13 -0.441 -22.972 1.544 1.00 0.00 C ATOM 155 C GLU A 13 0.767 -23.441 0.709 1.00 0.00 C ATOM 156 O GLU A 13 1.812 -23.709 1.270 1.00 0.00 O ATOM 157 CB GLU A 13 -0.963 -24.128 2.407 1.00 0.00 C ATOM 158 CG GLU A 13 -1.402 -25.295 1.518 1.00 0.00 C ATOM 159 CD GLU A 13 -1.993 -26.416 2.380 1.00 0.00 C ATOM 160 OE1 GLU A 13 -1.690 -26.457 3.561 1.00 0.00 O ATOM 161 OE2 GLU A 13 -2.740 -27.216 1.840 1.00 0.00 O ATOM 0 H GLU A 13 -2.396 -23.012 0.670 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.074 -22.155 2.165 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.185 -24.458 3.095 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.802 -23.788 3.014 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.142 -24.953 0.794 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.551 -25.671 0.951 1.00 0.00 H new ATOM 168 N ASN A 14 0.656 -23.565 -0.606 1.00 0.00 N ATOM 169 CA ASN A 14 1.842 -24.051 -1.418 1.00 0.00 C ATOM 170 C ASN A 14 2.196 -23.106 -2.586 1.00 0.00 C ATOM 171 O ASN A 14 2.983 -23.468 -3.440 1.00 0.00 O ATOM 172 CB ASN A 14 1.543 -25.453 -1.977 1.00 0.00 C ATOM 173 CG ASN A 14 0.616 -25.372 -3.187 1.00 0.00 C ATOM 174 OD1 ASN A 14 0.476 -26.331 -3.916 1.00 0.00 O ATOM 175 ND2 ASN A 14 -0.034 -24.271 -3.430 1.00 0.00 N ATOM 0 H ASN A 14 -0.185 -23.356 -1.144 1.00 0.00 H new ATOM 0 HA ASN A 14 2.700 -24.076 -0.746 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.475 -25.942 -2.260 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.083 -26.067 -1.203 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.661 -24.215 -4.233 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.083 -23.464 -2.817 1.00 0.00 H new ATOM 182 N GLU A 15 1.655 -21.918 -2.663 1.00 0.00 N ATOM 183 CA GLU A 15 2.035 -21.044 -3.820 1.00 0.00 C ATOM 184 C GLU A 15 3.442 -20.473 -3.563 1.00 0.00 C ATOM 185 O GLU A 15 3.696 -19.837 -2.571 1.00 0.00 O ATOM 186 CB GLU A 15 1.027 -19.896 -3.988 1.00 0.00 C ATOM 187 CG GLU A 15 1.161 -19.313 -5.394 1.00 0.00 C ATOM 188 CD GLU A 15 0.303 -18.051 -5.518 1.00 0.00 C ATOM 189 OE1 GLU A 15 -0.607 -17.899 -4.720 1.00 0.00 O ATOM 190 OE2 GLU A 15 0.566 -17.258 -6.411 1.00 0.00 O ATOM 0 H GLU A 15 0.988 -21.522 -2.001 1.00 0.00 H new ATOM 0 HA GLU A 15 2.030 -21.635 -4.736 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.012 -20.260 -3.827 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.210 -19.123 -3.242 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.205 -19.076 -5.601 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.849 -20.050 -6.134 1.00 0.00 H new ATOM 197 N GLU A 16 4.357 -20.719 -4.457 1.00 0.00 N ATOM 198 CA GLU A 16 5.762 -20.224 -4.294 1.00 0.00 C ATOM 199 C GLU A 16 5.812 -18.691 -4.217 1.00 0.00 C ATOM 200 O GLU A 16 6.743 -18.109 -3.695 1.00 0.00 O ATOM 201 CB GLU A 16 6.572 -20.695 -5.505 1.00 0.00 C ATOM 202 CG GLU A 16 6.757 -22.211 -5.445 1.00 0.00 C ATOM 203 CD GLU A 16 7.590 -22.678 -6.638 1.00 0.00 C ATOM 204 OE1 GLU A 16 7.907 -21.852 -7.478 1.00 0.00 O ATOM 205 OE2 GLU A 16 7.896 -23.857 -6.690 1.00 0.00 O ATOM 0 H GLU A 16 4.192 -21.252 -5.311 1.00 0.00 H new ATOM 0 HA GLU A 16 6.173 -20.618 -3.365 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.060 -20.418 -6.427 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.544 -20.201 -5.519 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.250 -22.490 -4.514 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.786 -22.706 -5.452 1.00 0.00 H new ATOM 212 N PHE A 17 4.843 -18.049 -4.785 1.00 0.00 N ATOM 213 CA PHE A 17 4.810 -16.555 -4.835 1.00 0.00 C ATOM 214 C PHE A 17 4.932 -15.876 -3.457 1.00 0.00 C ATOM 215 O PHE A 17 5.076 -14.669 -3.394 1.00 0.00 O ATOM 216 CB PHE A 17 3.502 -16.141 -5.548 1.00 0.00 C ATOM 217 CG PHE A 17 3.079 -14.738 -5.159 1.00 0.00 C ATOM 218 CD1 PHE A 17 3.858 -13.648 -5.544 1.00 0.00 C ATOM 219 CD2 PHE A 17 1.912 -14.537 -4.405 1.00 0.00 C ATOM 220 CE1 PHE A 17 3.479 -12.350 -5.175 1.00 0.00 C ATOM 221 CE2 PHE A 17 1.531 -13.241 -4.037 1.00 0.00 C ATOM 222 CZ PHE A 17 2.315 -12.148 -4.420 1.00 0.00 C ATOM 0 H PHE A 17 4.046 -18.502 -5.232 1.00 0.00 H new ATOM 0 HA PHE A 17 5.687 -16.213 -5.384 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.642 -16.194 -6.628 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.709 -16.845 -5.294 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.754 -13.804 -6.127 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.308 -15.382 -4.109 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.083 -11.506 -5.472 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.633 -13.085 -3.458 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.024 -11.148 -4.134 1.00 0.00 H new ATOM 232 N PHE A 18 4.873 -16.564 -2.354 1.00 0.00 N ATOM 233 CA PHE A 18 4.984 -15.798 -1.072 1.00 0.00 C ATOM 234 C PHE A 18 6.443 -15.404 -0.803 1.00 0.00 C ATOM 235 O PHE A 18 6.821 -14.259 -0.940 1.00 0.00 O ATOM 236 CB PHE A 18 4.495 -16.649 0.082 1.00 0.00 C ATOM 237 CG PHE A 18 3.164 -17.251 -0.266 1.00 0.00 C ATOM 238 CD1 PHE A 18 2.044 -16.425 -0.416 1.00 0.00 C ATOM 239 CD2 PHE A 18 3.043 -18.636 -0.417 1.00 0.00 C ATOM 240 CE1 PHE A 18 0.803 -16.983 -0.721 1.00 0.00 C ATOM 241 CE2 PHE A 18 1.794 -19.193 -0.721 1.00 0.00 C ATOM 242 CZ PHE A 18 0.677 -18.362 -0.871 1.00 0.00 C ATOM 0 H PHE A 18 4.759 -17.575 -2.276 1.00 0.00 H new ATOM 0 HA PHE A 18 4.374 -14.899 -1.161 1.00 0.00 H new ATOM 0 HB2 PHE A 18 5.217 -17.437 0.298 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.407 -16.042 0.983 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.141 -15.356 -0.296 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.908 -19.273 -0.300 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.061 -16.346 -0.841 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.693 -20.262 -0.839 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.286 -18.792 -1.104 1.00 0.00 H new ATOM 252 N ARG A 19 7.264 -16.339 -0.424 1.00 0.00 N ATOM 253 CA ARG A 19 8.694 -16.008 -0.159 1.00 0.00 C ATOM 254 C ARG A 19 9.400 -15.460 -1.413 1.00 0.00 C ATOM 255 O ARG A 19 10.364 -14.724 -1.302 1.00 0.00 O ATOM 256 CB ARG A 19 9.443 -17.216 0.480 1.00 0.00 C ATOM 257 CG ARG A 19 8.715 -18.549 0.214 1.00 0.00 C ATOM 258 CD ARG A 19 8.602 -18.852 -1.275 1.00 0.00 C ATOM 259 NE ARG A 19 9.886 -19.459 -1.744 1.00 0.00 N ATOM 260 CZ ARG A 19 9.923 -20.129 -2.860 1.00 0.00 C ATOM 261 NH1 ARG A 19 8.817 -20.355 -3.502 1.00 0.00 N ATOM 262 NH2 ARG A 19 11.056 -20.589 -3.323 1.00 0.00 N ATOM 0 H ARG A 19 7.010 -17.317 -0.286 1.00 0.00 H new ATOM 0 HA ARG A 19 8.719 -15.201 0.573 1.00 0.00 H new ATOM 0 HB2 ARG A 19 10.455 -17.269 0.079 1.00 0.00 H new ATOM 0 HB3 ARG A 19 9.533 -17.060 1.555 1.00 0.00 H new ATOM 0 HG2 ARG A 19 9.250 -19.359 0.709 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.718 -18.511 0.653 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.773 -19.535 -1.459 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.392 -17.938 -1.831 1.00 0.00 H new ATOM 0 HE ARG A 19 10.734 -19.348 -1.189 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.932 -20.009 -3.131 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.833 -20.879 -4.377 1.00 0.00 H new ATOM 0 HH21 ARG A 19 11.921 -20.424 -2.809 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.074 -21.113 -4.198 1.00 0.00 H new ATOM 276 N LYS A 20 8.942 -15.785 -2.598 1.00 0.00 N ATOM 277 CA LYS A 20 9.614 -15.239 -3.806 1.00 0.00 C ATOM 278 C LYS A 20 9.467 -13.714 -3.853 1.00 0.00 C ATOM 279 O LYS A 20 10.399 -13.015 -4.201 1.00 0.00 O ATOM 280 CB LYS A 20 9.008 -15.841 -5.072 1.00 0.00 C ATOM 281 CG LYS A 20 9.435 -17.307 -5.202 1.00 0.00 C ATOM 282 CD LYS A 20 8.919 -17.871 -6.533 1.00 0.00 C ATOM 283 CE LYS A 20 9.590 -17.153 -7.723 1.00 0.00 C ATOM 284 NZ LYS A 20 8.727 -16.014 -8.159 1.00 0.00 N ATOM 0 H LYS A 20 8.144 -16.395 -2.774 1.00 0.00 H new ATOM 0 HA LYS A 20 10.671 -15.500 -3.754 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.921 -15.771 -5.035 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.335 -15.278 -5.946 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.521 -17.386 -5.157 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.038 -17.888 -4.370 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.123 -18.941 -6.585 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.837 -17.750 -6.591 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.576 -16.788 -7.434 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.737 -17.850 -8.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.389 -16.186 -9.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.913 -15.930 -7.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.278 -15.132 -8.136 1.00 0.00 H new ATOM 298 N LEU A 21 8.302 -13.186 -3.516 1.00 0.00 N ATOM 299 CA LEU A 21 8.099 -11.694 -3.560 1.00 0.00 C ATOM 300 C LEU A 21 7.414 -11.192 -2.282 1.00 0.00 C ATOM 301 O LEU A 21 7.619 -10.069 -1.869 1.00 0.00 O ATOM 302 CB LEU A 21 7.205 -11.342 -4.755 1.00 0.00 C ATOM 303 CG LEU A 21 7.892 -11.729 -6.063 1.00 0.00 C ATOM 304 CD1 LEU A 21 6.912 -11.502 -7.220 1.00 0.00 C ATOM 305 CD2 LEU A 21 9.161 -10.871 -6.267 1.00 0.00 C ATOM 0 H LEU A 21 7.489 -13.723 -3.214 1.00 0.00 H new ATOM 0 HA LEU A 21 9.076 -11.220 -3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.251 -11.862 -4.670 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.987 -10.274 -4.753 1.00 0.00 H new ATOM 0 HG LEU A 21 8.186 -12.778 -6.030 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.390 -11.775 -8.161 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.025 -12.118 -7.072 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.623 -10.452 -7.251 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.645 -11.153 -7.202 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.885 -9.817 -6.305 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.849 -11.036 -5.438 1.00 0.00 H new ATOM 317 N SER A 22 6.595 -11.986 -1.658 1.00 0.00 N ATOM 318 CA SER A 22 5.906 -11.496 -0.425 1.00 0.00 C ATOM 319 C SER A 22 6.866 -11.538 0.759 1.00 0.00 C ATOM 320 O SER A 22 6.669 -12.254 1.720 1.00 0.00 O ATOM 321 CB SER A 22 4.681 -12.360 -0.134 1.00 0.00 C ATOM 322 OG SER A 22 5.084 -13.522 0.573 1.00 0.00 O ATOM 0 H SER A 22 6.371 -12.941 -1.939 1.00 0.00 H new ATOM 0 HA SER A 22 5.584 -10.467 -0.584 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.956 -11.797 0.453 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.189 -12.640 -1.066 1.00 0.00 H new ATOM 0 HG SER A 22 5.382 -13.271 1.472 1.00 0.00 H new ATOM 328 N ARG A 23 7.909 -10.762 0.692 1.00 0.00 N ATOM 329 CA ARG A 23 8.909 -10.727 1.795 1.00 0.00 C ATOM 330 C ARG A 23 9.444 -9.284 1.877 1.00 0.00 C ATOM 331 O ARG A 23 8.988 -8.421 1.149 1.00 0.00 O ATOM 332 CB ARG A 23 10.014 -11.749 1.466 1.00 0.00 C ATOM 333 CG ARG A 23 10.730 -12.193 2.739 1.00 0.00 C ATOM 334 CD ARG A 23 11.811 -13.210 2.372 1.00 0.00 C ATOM 335 NE ARG A 23 12.414 -13.800 3.603 1.00 0.00 N ATOM 336 CZ ARG A 23 13.138 -14.880 3.502 1.00 0.00 C ATOM 337 NH1 ARG A 23 13.304 -15.436 2.332 1.00 0.00 N ATOM 338 NH2 ARG A 23 13.690 -15.406 4.560 1.00 0.00 N ATOM 0 H ARG A 23 8.115 -10.141 -0.091 1.00 0.00 H new ATOM 0 HA ARG A 23 8.487 -10.995 2.763 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.579 -12.614 0.966 1.00 0.00 H new ATOM 0 HB3 ARG A 23 10.731 -11.308 0.774 1.00 0.00 H new ATOM 0 HG2 ARG A 23 11.176 -11.334 3.240 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.019 -12.635 3.437 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.381 -14.000 1.756 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.586 -12.727 1.776 1.00 0.00 H new ATOM 0 HE ARG A 23 12.262 -13.364 4.512 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.869 -15.025 1.506 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.869 -16.281 2.244 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.557 -14.973 5.474 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.255 -16.251 4.474 1.00 0.00 H new ATOM 352 N GLU A 24 10.355 -8.985 2.765 1.00 0.00 N ATOM 353 CA GLU A 24 10.859 -7.576 2.848 1.00 0.00 C ATOM 354 C GLU A 24 11.407 -7.164 1.467 1.00 0.00 C ATOM 355 O GLU A 24 12.360 -7.736 0.975 1.00 0.00 O ATOM 356 CB GLU A 24 11.956 -7.490 3.921 1.00 0.00 C ATOM 357 CG GLU A 24 13.256 -8.121 3.401 1.00 0.00 C ATOM 358 CD GLU A 24 14.175 -8.466 4.577 1.00 0.00 C ATOM 359 OE1 GLU A 24 13.806 -8.165 5.699 1.00 0.00 O ATOM 360 OE2 GLU A 24 15.228 -9.027 4.330 1.00 0.00 O ATOM 0 H GLU A 24 10.768 -9.641 3.428 1.00 0.00 H new ATOM 0 HA GLU A 24 10.053 -6.897 3.126 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.131 -6.448 4.190 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.631 -8.003 4.826 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.030 -9.021 2.829 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.760 -7.431 2.724 1.00 0.00 H new ATOM 367 N CYS A 25 10.797 -6.188 0.821 1.00 0.00 N ATOM 368 CA CYS A 25 11.275 -5.752 -0.535 1.00 0.00 C ATOM 369 C CYS A 25 11.379 -4.224 -0.600 1.00 0.00 C ATOM 370 O CYS A 25 10.660 -3.508 0.066 1.00 0.00 O ATOM 371 CB CYS A 25 10.290 -6.243 -1.590 1.00 0.00 C ATOM 372 SG CYS A 25 10.389 -8.049 -1.710 1.00 0.00 S ATOM 0 H CYS A 25 9.989 -5.677 1.177 1.00 0.00 H new ATOM 0 HA CYS A 25 12.262 -6.175 -0.720 1.00 0.00 H new ATOM 0 HB2 CYS A 25 9.277 -5.940 -1.327 1.00 0.00 H new ATOM 0 HB3 CYS A 25 10.518 -5.790 -2.555 1.00 0.00 H new ATOM 0 HG CYS A 25 9.877 -8.584 -0.642 1.00 0.00 H new ATOM 378 N GLU A 26 12.263 -3.728 -1.421 1.00 0.00 N ATOM 379 CA GLU A 26 12.427 -2.251 -1.564 1.00 0.00 C ATOM 380 C GLU A 26 11.198 -1.669 -2.262 1.00 0.00 C ATOM 381 O GLU A 26 10.628 -2.300 -3.128 1.00 0.00 O ATOM 382 CB GLU A 26 13.673 -1.963 -2.397 1.00 0.00 C ATOM 383 CG GLU A 26 14.912 -2.409 -1.621 1.00 0.00 C ATOM 384 CD GLU A 26 16.178 -2.123 -2.442 1.00 0.00 C ATOM 385 OE1 GLU A 26 16.250 -2.594 -3.566 1.00 0.00 O ATOM 386 OE2 GLU A 26 17.052 -1.438 -1.933 1.00 0.00 O ATOM 0 H GLU A 26 12.885 -4.287 -2.005 1.00 0.00 H new ATOM 0 HA GLU A 26 12.533 -1.795 -0.580 1.00 0.00 H new ATOM 0 HB2 GLU A 26 13.617 -2.489 -3.350 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.735 -0.899 -2.624 1.00 0.00 H new ATOM 0 HG2 GLU A 26 14.962 -1.885 -0.667 1.00 0.00 H new ATOM 0 HG3 GLU A 26 14.847 -3.474 -1.397 1.00 0.00 H new ATOM 393 N ILE A 27 10.771 -0.472 -1.895 1.00 0.00 N ATOM 394 CA ILE A 27 9.560 0.120 -2.558 1.00 0.00 C ATOM 395 C ILE A 27 9.750 1.631 -2.813 1.00 0.00 C ATOM 396 O ILE A 27 10.375 2.347 -2.030 1.00 0.00 O ATOM 397 CB ILE A 27 8.329 -0.116 -1.669 1.00 0.00 C ATOM 398 CG1 ILE A 27 8.359 0.791 -0.428 1.00 0.00 C ATOM 399 CG2 ILE A 27 8.308 -1.569 -1.199 1.00 0.00 C ATOM 400 CD1 ILE A 27 7.094 0.555 0.408 1.00 0.00 C ATOM 0 H ILE A 27 11.204 0.109 -1.177 1.00 0.00 H new ATOM 0 HA ILE A 27 9.415 -0.366 -3.523 1.00 0.00 H new ATOM 0 HB ILE A 27 7.441 0.113 -2.259 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.247 0.580 0.168 1.00 0.00 H new ATOM 0 HG13 ILE A 27 8.419 1.837 -0.730 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.434 -1.735 -0.569 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.262 -2.231 -2.064 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.212 -1.780 -0.628 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.114 1.198 1.288 1.00 0.00 H new ATOM 0 HD12 ILE A 27 6.213 0.788 -0.191 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.054 -0.488 0.721 1.00 0.00 H new ATOM 412 N LYS A 28 9.172 2.122 -3.890 1.00 0.00 N ATOM 413 CA LYS A 28 9.272 3.578 -4.218 1.00 0.00 C ATOM 414 C LYS A 28 7.904 4.063 -4.727 1.00 0.00 C ATOM 415 O LYS A 28 7.313 3.465 -5.617 1.00 0.00 O ATOM 416 CB LYS A 28 10.313 3.796 -5.340 1.00 0.00 C ATOM 417 CG LYS A 28 11.584 2.984 -5.057 1.00 0.00 C ATOM 418 CD LYS A 28 12.763 3.510 -5.899 1.00 0.00 C ATOM 419 CE LYS A 28 12.406 3.496 -7.387 1.00 0.00 C ATOM 420 NZ LYS A 28 11.527 4.656 -7.687 1.00 0.00 N ATOM 0 H LYS A 28 8.633 1.569 -4.557 1.00 0.00 H new ATOM 0 HA LYS A 28 9.573 4.128 -3.327 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.890 3.499 -6.300 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.560 4.855 -5.415 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.832 3.044 -3.997 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.408 1.933 -5.284 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.015 4.524 -5.589 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.645 2.894 -5.725 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.312 3.544 -7.991 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.901 2.565 -7.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.851 5.120 -8.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.548 4.327 -7.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.566 5.334 -6.899 1.00 0.00 H new ATOM 434 N TYR A 29 7.413 5.152 -4.183 1.00 0.00 N ATOM 435 CA TYR A 29 6.096 5.703 -4.630 1.00 0.00 C ATOM 436 C TYR A 29 6.185 6.077 -6.114 1.00 0.00 C ATOM 437 O TYR A 29 7.240 6.430 -6.609 1.00 0.00 O ATOM 438 CB TYR A 29 5.768 6.944 -3.794 1.00 0.00 C ATOM 439 CG TYR A 29 4.507 7.614 -4.302 1.00 0.00 C ATOM 440 CD1 TYR A 29 4.583 8.576 -5.315 1.00 0.00 C ATOM 441 CD2 TYR A 29 3.265 7.285 -3.744 1.00 0.00 C ATOM 442 CE1 TYR A 29 3.419 9.203 -5.776 1.00 0.00 C ATOM 443 CE2 TYR A 29 2.101 7.916 -4.206 1.00 0.00 C ATOM 444 CZ TYR A 29 2.180 8.871 -5.223 1.00 0.00 C ATOM 445 OH TYR A 29 1.034 9.489 -5.671 1.00 0.00 O ATOM 0 H TYR A 29 7.872 5.685 -3.444 1.00 0.00 H new ATOM 0 HA TYR A 29 5.310 4.959 -4.496 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.640 6.661 -2.749 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.601 7.646 -3.834 1.00 0.00 H new ATOM 0 HD1 TYR A 29 5.541 8.835 -5.742 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.204 6.546 -2.959 1.00 0.00 H new ATOM 0 HE1 TYR A 29 3.479 9.944 -6.560 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.143 7.664 -3.776 1.00 0.00 H new ATOM 0 HH TYR A 29 0.261 9.140 -5.180 1.00 0.00 H new ATOM 455 N THR A 30 5.095 5.980 -6.840 1.00 0.00 N ATOM 456 CA THR A 30 5.144 6.308 -8.293 1.00 0.00 C ATOM 457 C THR A 30 5.006 7.814 -8.503 1.00 0.00 C ATOM 458 O THR A 30 3.959 8.391 -8.301 1.00 0.00 O ATOM 459 CB THR A 30 4.006 5.597 -9.018 1.00 0.00 C ATOM 460 OG1 THR A 30 4.040 4.222 -8.673 1.00 0.00 O ATOM 461 CG2 THR A 30 4.171 5.747 -10.537 1.00 0.00 C ATOM 0 H THR A 30 4.183 5.690 -6.488 1.00 0.00 H new ATOM 0 HA THR A 30 6.103 5.977 -8.692 1.00 0.00 H new ATOM 0 HB THR A 30 3.053 6.038 -8.724 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.682 4.103 -7.769 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.353 5.235 -11.044 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.158 6.804 -10.802 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.120 5.308 -10.845 1.00 0.00 H new ATOM 469 N GLY A 31 6.056 8.451 -8.926 1.00 0.00 N ATOM 470 CA GLY A 31 5.993 9.922 -9.167 1.00 0.00 C ATOM 471 C GLY A 31 7.218 10.339 -9.976 1.00 0.00 C ATOM 472 O GLY A 31 8.107 9.546 -10.210 1.00 0.00 O ATOM 0 H GLY A 31 6.960 8.019 -9.117 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.080 10.178 -9.705 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.966 10.459 -8.219 1.00 0.00 H new ATOM 476 N PHE A 32 7.274 11.577 -10.419 1.00 0.00 N ATOM 477 CA PHE A 32 8.454 12.024 -11.224 1.00 0.00 C ATOM 478 C PHE A 32 9.502 12.675 -10.316 1.00 0.00 C ATOM 479 O PHE A 32 9.404 13.829 -9.948 1.00 0.00 O ATOM 480 CB PHE A 32 8.004 13.022 -12.307 1.00 0.00 C ATOM 481 CG PHE A 32 7.250 12.284 -13.405 1.00 0.00 C ATOM 482 CD1 PHE A 32 7.901 11.313 -14.180 1.00 0.00 C ATOM 483 CD2 PHE A 32 5.897 12.576 -13.649 1.00 0.00 C ATOM 484 CE1 PHE A 32 7.201 10.635 -15.190 1.00 0.00 C ATOM 485 CE2 PHE A 32 5.203 11.898 -14.660 1.00 0.00 C ATOM 486 CZ PHE A 32 5.855 10.929 -15.429 1.00 0.00 C ATOM 0 H PHE A 32 6.560 12.288 -10.259 1.00 0.00 H new ATOM 0 HA PHE A 32 8.900 11.153 -11.705 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.366 13.788 -11.866 1.00 0.00 H new ATOM 0 HB3 PHE A 32 8.871 13.532 -12.728 1.00 0.00 H new ATOM 0 HD1 PHE A 32 8.942 11.087 -13.999 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.391 13.324 -13.056 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.703 9.885 -15.784 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.163 12.124 -14.846 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.319 10.407 -16.208 1.00 0.00 H new ATOM 496 N ARG A 33 10.525 11.942 -9.988 1.00 0.00 N ATOM 497 CA ARG A 33 11.621 12.498 -9.152 1.00 0.00 C ATOM 498 C ARG A 33 12.299 13.635 -9.917 1.00 0.00 C ATOM 499 O ARG A 33 13.228 14.255 -9.432 1.00 0.00 O ATOM 500 CB ARG A 33 12.640 11.406 -8.845 1.00 0.00 C ATOM 501 CG ARG A 33 11.980 10.325 -7.987 1.00 0.00 C ATOM 502 CD ARG A 33 13.048 9.340 -7.511 1.00 0.00 C ATOM 503 NE ARG A 33 13.724 8.715 -8.695 1.00 0.00 N ATOM 504 CZ ARG A 33 13.067 8.013 -9.575 1.00 0.00 C ATOM 505 NH1 ARG A 33 11.812 7.714 -9.388 1.00 0.00 N ATOM 506 NH2 ARG A 33 13.693 7.565 -10.627 1.00 0.00 N ATOM 0 H ARG A 33 10.650 10.969 -10.267 1.00 0.00 H new ATOM 0 HA ARG A 33 11.213 12.875 -8.214 1.00 0.00 H new ATOM 0 HB2 ARG A 33 13.015 10.972 -9.772 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.497 11.829 -8.321 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.479 10.778 -7.132 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.217 9.802 -8.563 1.00 0.00 H new ATOM 0 HD2 ARG A 33 13.782 9.856 -6.892 1.00 0.00 H new ATOM 0 HD3 ARG A 33 12.593 8.568 -6.890 1.00 0.00 H new ATOM 0 HE ARG A 33 14.729 8.843 -8.815 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.333 8.030 -8.545 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.309 7.164 -10.085 1.00 0.00 H new ATOM 0 HH21 ARG A 33 14.685 7.765 -10.754 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.191 7.014 -11.323 1.00 0.00 H new ATOM 520 N ASP A 34 11.877 13.899 -11.129 1.00 0.00 N ATOM 521 CA ASP A 34 12.543 14.972 -11.912 1.00 0.00 C ATOM 522 C ASP A 34 12.125 16.319 -11.338 1.00 0.00 C ATOM 523 O ASP A 34 12.659 17.350 -11.691 1.00 0.00 O ATOM 524 CB ASP A 34 12.135 14.875 -13.386 1.00 0.00 C ATOM 525 CG ASP A 34 12.580 13.526 -13.955 1.00 0.00 C ATOM 526 OD1 ASP A 34 12.917 12.656 -13.168 1.00 0.00 O ATOM 527 OD2 ASP A 34 12.556 13.376 -15.167 1.00 0.00 O ATOM 0 H ASP A 34 11.109 13.422 -11.601 1.00 0.00 H new ATOM 0 HA ASP A 34 13.626 14.863 -11.849 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.055 14.983 -13.482 1.00 0.00 H new ATOM 0 HB3 ASP A 34 12.589 15.688 -13.953 1.00 0.00 H new ATOM 532 N ARG A 35 11.207 16.316 -10.410 1.00 0.00 N ATOM 533 CA ARG A 35 10.802 17.595 -9.766 1.00 0.00 C ATOM 534 C ARG A 35 11.777 17.858 -8.610 1.00 0.00 C ATOM 535 O ARG A 35 12.192 16.928 -7.948 1.00 0.00 O ATOM 536 CB ARG A 35 9.368 17.474 -9.222 1.00 0.00 C ATOM 537 CG ARG A 35 8.352 17.810 -10.317 1.00 0.00 C ATOM 538 CD ARG A 35 8.518 16.860 -11.507 1.00 0.00 C ATOM 539 NE ARG A 35 7.440 17.137 -12.503 1.00 0.00 N ATOM 540 CZ ARG A 35 7.535 16.653 -13.712 1.00 0.00 C ATOM 541 NH1 ARG A 35 8.578 15.949 -14.040 1.00 0.00 N ATOM 542 NH2 ARG A 35 6.593 16.867 -14.597 1.00 0.00 N ATOM 0 H ARG A 35 10.722 15.485 -10.072 1.00 0.00 H new ATOM 0 HA ARG A 35 10.828 18.413 -10.485 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.196 16.462 -8.855 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.235 18.147 -8.375 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.340 17.732 -9.920 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.488 18.841 -10.644 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.498 16.997 -11.965 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.464 15.824 -11.172 1.00 0.00 H new ATOM 0 HE ARG A 35 6.633 17.702 -12.240 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.314 15.778 -13.355 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.660 15.567 -14.982 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.772 17.418 -14.345 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.680 16.483 -15.538 1.00 0.00 H new ATOM 556 N PRO A 36 12.143 19.093 -8.353 1.00 0.00 N ATOM 557 CA PRO A 36 13.070 19.417 -7.237 1.00 0.00 C ATOM 558 C PRO A 36 12.748 18.583 -5.997 1.00 0.00 C ATOM 559 O PRO A 36 11.712 17.953 -5.923 1.00 0.00 O ATOM 560 CB PRO A 36 12.802 20.902 -6.979 1.00 0.00 C ATOM 561 CG PRO A 36 12.394 21.458 -8.306 1.00 0.00 C ATOM 562 CD PRO A 36 11.730 20.309 -9.080 1.00 0.00 C ATOM 0 HA PRO A 36 14.112 19.204 -7.473 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.016 21.038 -6.236 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.692 21.403 -6.598 1.00 0.00 H new ATOM 0 HG2 PRO A 36 11.702 22.291 -8.181 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.259 21.841 -8.848 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.645 20.414 -9.095 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.062 20.284 -10.118 1.00 0.00 H new ATOM 570 N HIS A 37 13.596 18.582 -5.016 1.00 0.00 N ATOM 571 CA HIS A 37 13.289 17.788 -3.803 1.00 0.00 C ATOM 572 C HIS A 37 11.956 18.269 -3.239 1.00 0.00 C ATOM 573 O HIS A 37 11.369 17.653 -2.373 1.00 0.00 O ATOM 574 CB HIS A 37 14.400 17.994 -2.771 1.00 0.00 C ATOM 575 CG HIS A 37 14.356 19.407 -2.245 1.00 0.00 C ATOM 576 ND1 HIS A 37 14.771 20.497 -3.000 1.00 0.00 N ATOM 577 CD2 HIS A 37 13.936 19.923 -1.045 1.00 0.00 C ATOM 578 CE1 HIS A 37 14.587 21.603 -2.252 1.00 0.00 C ATOM 579 NE2 HIS A 37 14.083 21.310 -1.050 1.00 0.00 N ATOM 0 H HIS A 37 14.480 19.091 -5.000 1.00 0.00 H new ATOM 0 HA HIS A 37 13.225 16.727 -4.046 1.00 0.00 H new ATOM 0 HB2 HIS A 37 14.281 17.287 -1.950 1.00 0.00 H new ATOM 0 HB3 HIS A 37 15.371 17.796 -3.225 1.00 0.00 H new ATOM 0 HD2 HIS A 37 13.550 19.342 -0.220 1.00 0.00 H new ATOM 0 HE1 HIS A 37 14.819 22.604 -2.584 1.00 0.00 H new ATOM 0 HE2 HIS A 37 13.855 21.960 -0.298 1.00 0.00 H new ATOM 587 N GLU A 38 11.475 19.368 -3.742 1.00 0.00 N ATOM 588 CA GLU A 38 10.176 19.915 -3.258 1.00 0.00 C ATOM 589 C GLU A 38 9.066 18.889 -3.500 1.00 0.00 C ATOM 590 O GLU A 38 8.000 18.973 -2.929 1.00 0.00 O ATOM 591 CB GLU A 38 9.873 21.233 -3.988 1.00 0.00 C ATOM 592 CG GLU A 38 9.413 20.953 -5.428 1.00 0.00 C ATOM 593 CD GLU A 38 7.905 20.672 -5.479 1.00 0.00 C ATOM 594 OE1 GLU A 38 7.285 20.655 -4.428 1.00 0.00 O ATOM 595 OE2 GLU A 38 7.400 20.471 -6.570 1.00 0.00 O ATOM 0 H GLU A 38 11.928 19.916 -4.473 1.00 0.00 H new ATOM 0 HA GLU A 38 10.233 20.116 -2.188 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.099 21.783 -3.453 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.762 21.863 -3.999 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.649 21.808 -6.062 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.959 20.099 -5.829 1.00 0.00 H new ATOM 602 N GLU A 39 9.301 17.924 -4.342 1.00 0.00 N ATOM 603 CA GLU A 39 8.250 16.918 -4.605 1.00 0.00 C ATOM 604 C GLU A 39 8.050 16.049 -3.366 1.00 0.00 C ATOM 605 O GLU A 39 6.999 15.484 -3.161 1.00 0.00 O ATOM 606 CB GLU A 39 8.683 16.048 -5.798 1.00 0.00 C ATOM 607 CG GLU A 39 9.799 15.043 -5.394 1.00 0.00 C ATOM 608 CD GLU A 39 9.201 13.650 -5.135 1.00 0.00 C ATOM 609 OE1 GLU A 39 8.763 13.407 -4.023 1.00 0.00 O ATOM 610 OE2 GLU A 39 9.195 12.854 -6.060 1.00 0.00 O ATOM 0 H GLU A 39 10.173 17.792 -4.855 1.00 0.00 H new ATOM 0 HA GLU A 39 7.308 17.415 -4.839 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.822 15.502 -6.183 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.042 16.687 -6.605 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.546 14.983 -6.185 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.310 15.398 -4.499 1.00 0.00 H new ATOM 617 N ARG A 40 9.039 15.933 -2.530 1.00 0.00 N ATOM 618 CA ARG A 40 8.858 15.081 -1.329 1.00 0.00 C ATOM 619 C ARG A 40 7.669 15.587 -0.501 1.00 0.00 C ATOM 620 O ARG A 40 6.800 14.823 -0.121 1.00 0.00 O ATOM 621 CB ARG A 40 10.136 15.142 -0.487 1.00 0.00 C ATOM 622 CG ARG A 40 10.272 16.530 0.174 1.00 0.00 C ATOM 623 CD ARG A 40 11.720 16.771 0.624 1.00 0.00 C ATOM 624 NE ARG A 40 11.757 17.993 1.488 1.00 0.00 N ATOM 625 CZ ARG A 40 12.821 18.288 2.196 1.00 0.00 C ATOM 626 NH1 ARG A 40 13.855 17.497 2.214 1.00 0.00 N ATOM 627 NH2 ARG A 40 12.851 19.383 2.899 1.00 0.00 N ATOM 0 H ARG A 40 9.950 16.383 -2.623 1.00 0.00 H new ATOM 0 HA ARG A 40 8.660 14.053 -1.634 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.113 14.367 0.279 1.00 0.00 H new ATOM 0 HB3 ARG A 40 11.004 14.944 -1.115 1.00 0.00 H new ATOM 0 HG2 ARG A 40 9.970 17.306 -0.530 1.00 0.00 H new ATOM 0 HG3 ARG A 40 9.602 16.598 1.031 1.00 0.00 H new ATOM 0 HD2 ARG A 40 12.093 15.908 1.175 1.00 0.00 H new ATOM 0 HD3 ARG A 40 12.368 16.901 -0.243 1.00 0.00 H new ATOM 0 HE ARG A 40 10.942 18.606 1.527 1.00 0.00 H new ATOM 0 HH11 ARG A 40 13.846 16.633 1.672 1.00 0.00 H new ATOM 0 HH12 ARG A 40 14.674 17.741 2.770 1.00 0.00 H new ATOM 0 HH21 ARG A 40 12.047 20.011 2.899 1.00 0.00 H new ATOM 0 HH22 ARG A 40 13.678 19.613 3.450 1.00 0.00 H new ATOM 641 N GLN A 41 7.604 16.861 -0.229 1.00 0.00 N ATOM 642 CA GLN A 41 6.461 17.379 0.572 1.00 0.00 C ATOM 643 C GLN A 41 5.201 17.471 -0.277 1.00 0.00 C ATOM 644 O GLN A 41 4.127 17.112 0.153 1.00 0.00 O ATOM 645 CB GLN A 41 6.817 18.754 1.148 1.00 0.00 C ATOM 646 CG GLN A 41 7.237 19.723 0.027 1.00 0.00 C ATOM 647 CD GLN A 41 7.930 20.948 0.643 1.00 0.00 C ATOM 648 OE1 GLN A 41 8.691 20.811 1.579 1.00 0.00 O ATOM 649 NE2 GLN A 41 7.722 22.142 0.144 1.00 0.00 N ATOM 0 H GLN A 41 8.286 17.560 -0.524 1.00 0.00 H new ATOM 0 HA GLN A 41 6.265 16.686 1.390 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.961 19.161 1.685 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.627 18.652 1.870 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.911 19.222 -0.668 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.363 20.035 -0.545 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.084 22.262 -0.642 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.199 22.951 0.542 1.00 0.00 H new ATOM 658 N THR A 42 5.309 17.965 -1.468 1.00 0.00 N ATOM 659 CA THR A 42 4.100 18.083 -2.319 1.00 0.00 C ATOM 660 C THR A 42 3.508 16.698 -2.578 1.00 0.00 C ATOM 661 O THR A 42 2.307 16.524 -2.632 1.00 0.00 O ATOM 662 CB THR A 42 4.454 18.755 -3.646 1.00 0.00 C ATOM 663 OG1 THR A 42 5.193 19.943 -3.399 1.00 0.00 O ATOM 664 CG2 THR A 42 3.170 19.108 -4.399 1.00 0.00 C ATOM 0 H THR A 42 6.177 18.292 -1.891 1.00 0.00 H new ATOM 0 HA THR A 42 3.362 18.695 -1.800 1.00 0.00 H new ATOM 0 HB THR A 42 5.055 18.071 -4.245 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.147 19.772 -3.547 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.423 19.587 -5.345 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.601 18.199 -4.593 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.570 19.790 -3.796 1.00 0.00 H new ATOM 672 N ARG A 43 4.346 15.716 -2.787 1.00 0.00 N ATOM 673 CA ARG A 43 3.824 14.347 -3.073 1.00 0.00 C ATOM 674 C ARG A 43 2.962 13.842 -1.916 1.00 0.00 C ATOM 675 O ARG A 43 1.923 13.259 -2.137 1.00 0.00 O ATOM 676 CB ARG A 43 4.976 13.356 -3.314 1.00 0.00 C ATOM 677 CG ARG A 43 4.435 12.006 -3.878 1.00 0.00 C ATOM 678 CD ARG A 43 4.246 10.969 -2.760 1.00 0.00 C ATOM 679 NE ARG A 43 5.539 10.748 -2.084 1.00 0.00 N ATOM 680 CZ ARG A 43 5.582 10.108 -0.956 1.00 0.00 C ATOM 681 NH1 ARG A 43 4.484 9.639 -0.418 1.00 0.00 N ATOM 682 NH2 ARG A 43 6.724 9.943 -0.365 1.00 0.00 N ATOM 0 H ARG A 43 5.362 15.802 -2.772 1.00 0.00 H new ATOM 0 HA ARG A 43 3.215 14.412 -3.975 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.692 13.787 -4.014 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.510 13.178 -2.381 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.485 12.176 -4.384 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.128 11.617 -4.624 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.502 11.319 -2.044 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.873 10.032 -3.175 1.00 0.00 H new ATOM 0 HE ARG A 43 6.400 11.099 -2.504 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.588 9.776 -0.886 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.525 9.137 0.469 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.575 10.314 -0.787 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.771 9.442 0.522 1.00 0.00 H new ATOM 696 N PHE A 44 3.382 14.021 -0.682 1.00 0.00 N ATOM 697 CA PHE A 44 2.548 13.504 0.447 1.00 0.00 C ATOM 698 C PHE A 44 1.203 14.215 0.492 1.00 0.00 C ATOM 699 O PHE A 44 0.166 13.594 0.567 1.00 0.00 O ATOM 700 CB PHE A 44 3.252 13.719 1.793 1.00 0.00 C ATOM 701 CG PHE A 44 4.481 12.848 1.872 1.00 0.00 C ATOM 702 CD1 PHE A 44 4.365 11.454 1.825 1.00 0.00 C ATOM 703 CD2 PHE A 44 5.746 13.433 1.975 1.00 0.00 C ATOM 704 CE1 PHE A 44 5.509 10.656 1.883 1.00 0.00 C ATOM 705 CE2 PHE A 44 6.886 12.632 2.027 1.00 0.00 C ATOM 706 CZ PHE A 44 6.768 11.244 1.982 1.00 0.00 C ATOM 0 H PHE A 44 4.246 14.492 -0.415 1.00 0.00 H new ATOM 0 HA PHE A 44 2.399 12.438 0.277 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.530 14.767 1.905 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.573 13.480 2.611 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.390 10.996 1.744 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.841 14.508 2.014 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.418 9.580 1.851 1.00 0.00 H new ATOM 0 HE2 PHE A 44 7.862 13.088 2.102 1.00 0.00 H new ATOM 0 HZ PHE A 44 7.652 10.625 2.024 1.00 0.00 H new ATOM 716 N GLN A 45 1.206 15.519 0.468 1.00 0.00 N ATOM 717 CA GLN A 45 -0.095 16.250 0.541 1.00 0.00 C ATOM 718 C GLN A 45 -0.923 16.020 -0.721 1.00 0.00 C ATOM 719 O GLN A 45 -2.066 15.624 -0.644 1.00 0.00 O ATOM 720 CB GLN A 45 0.145 17.761 0.748 1.00 0.00 C ATOM 721 CG GLN A 45 1.268 18.290 -0.180 1.00 0.00 C ATOM 722 CD GLN A 45 2.165 19.262 0.592 1.00 0.00 C ATOM 723 OE1 GLN A 45 2.077 20.460 0.415 1.00 0.00 O ATOM 724 NE2 GLN A 45 3.035 18.787 1.447 1.00 0.00 N ATOM 0 H GLN A 45 2.038 16.105 0.402 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.651 15.860 1.393 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.778 18.307 0.552 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.412 17.949 1.788 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.861 17.458 -0.560 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.832 18.791 -1.044 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.108 17.780 1.595 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.640 19.424 1.966 1.00 0.00 H new ATOM 733 N ASN A 46 -0.381 16.276 -1.872 1.00 0.00 N ATOM 734 CA ASN A 46 -1.182 16.076 -3.122 1.00 0.00 C ATOM 735 C ASN A 46 -1.573 14.605 -3.311 1.00 0.00 C ATOM 736 O ASN A 46 -2.605 14.302 -3.879 1.00 0.00 O ATOM 737 CB ASN A 46 -0.410 16.591 -4.343 1.00 0.00 C ATOM 738 CG ASN A 46 0.792 15.690 -4.658 1.00 0.00 C ATOM 739 OD1 ASN A 46 0.912 14.596 -4.153 1.00 0.00 O ATOM 740 ND2 ASN A 46 1.701 16.117 -5.493 1.00 0.00 N ATOM 0 H ASN A 46 0.572 16.612 -2.010 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.102 16.652 -3.022 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.074 16.631 -5.206 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.067 17.609 -4.157 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.505 15.530 -5.716 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.607 17.037 -5.922 1.00 0.00 H new ATOM 747 N ALA A 47 -0.769 13.689 -2.851 1.00 0.00 N ATOM 748 CA ALA A 47 -1.122 12.247 -3.020 1.00 0.00 C ATOM 749 C ALA A 47 -2.040 11.835 -1.880 1.00 0.00 C ATOM 750 O ALA A 47 -2.905 11.002 -2.041 1.00 0.00 O ATOM 751 CB ALA A 47 0.142 11.380 -2.983 1.00 0.00 C ATOM 0 H ALA A 47 0.111 13.871 -2.369 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.617 12.108 -3.981 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.132 10.332 -3.107 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.812 11.678 -3.790 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.646 11.512 -2.026 1.00 0.00 H new ATOM 757 N CYS A 48 -1.879 12.417 -0.731 1.00 0.00 N ATOM 758 CA CYS A 48 -2.774 12.050 0.385 1.00 0.00 C ATOM 759 C CYS A 48 -4.209 12.448 0.037 1.00 0.00 C ATOM 760 O CYS A 48 -5.141 11.716 0.308 1.00 0.00 O ATOM 761 CB CYS A 48 -2.293 12.724 1.658 1.00 0.00 C ATOM 762 SG CYS A 48 -0.864 11.809 2.272 1.00 0.00 S ATOM 0 H CYS A 48 -1.174 13.123 -0.520 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.756 10.973 0.549 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.024 13.762 1.461 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.087 12.737 2.405 1.00 0.00 H new ATOM 0 HG CYS A 48 -0.581 12.204 3.478 1.00 0.00 H new ATOM 768 N ARG A 49 -4.407 13.579 -0.592 1.00 0.00 N ATOM 769 CA ARG A 49 -5.802 13.946 -0.970 1.00 0.00 C ATOM 770 C ARG A 49 -6.311 12.859 -1.912 1.00 0.00 C ATOM 771 O ARG A 49 -7.422 12.386 -1.791 1.00 0.00 O ATOM 772 CB ARG A 49 -5.838 15.332 -1.634 1.00 0.00 C ATOM 773 CG ARG A 49 -4.742 15.425 -2.689 1.00 0.00 C ATOM 774 CD ARG A 49 -4.753 16.810 -3.357 1.00 0.00 C ATOM 775 NE ARG A 49 -3.995 16.739 -4.634 1.00 0.00 N ATOM 776 CZ ARG A 49 -4.118 17.679 -5.532 1.00 0.00 C ATOM 777 NH1 ARG A 49 -4.936 18.678 -5.345 1.00 0.00 N ATOM 778 NH2 ARG A 49 -3.428 17.607 -6.638 1.00 0.00 N ATOM 0 H ARG A 49 -3.683 14.248 -0.854 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.442 14.009 -0.090 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.812 15.501 -2.092 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.700 16.110 -0.883 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.770 15.244 -2.229 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.887 14.650 -3.442 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.778 17.129 -3.545 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.305 17.551 -2.694 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.374 15.949 -4.810 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.489 18.731 -4.489 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.023 19.406 -6.054 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.798 16.820 -6.796 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.519 18.337 -7.344 1.00 0.00 H new ATOM 792 N ASP A 50 -5.462 12.399 -2.798 1.00 0.00 N ATOM 793 CA ASP A 50 -5.842 11.269 -3.696 1.00 0.00 C ATOM 794 C ASP A 50 -5.164 10.038 -3.102 1.00 0.00 C ATOM 795 O ASP A 50 -4.102 9.619 -3.511 1.00 0.00 O ATOM 796 CB ASP A 50 -5.413 11.541 -5.154 1.00 0.00 C ATOM 797 CG ASP A 50 -3.892 11.648 -5.304 1.00 0.00 C ATOM 798 OD1 ASP A 50 -3.243 10.620 -5.423 1.00 0.00 O ATOM 799 OD2 ASP A 50 -3.405 12.761 -5.346 1.00 0.00 O ATOM 0 H ASP A 50 -4.518 12.761 -2.937 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.922 11.129 -3.748 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.783 10.740 -5.794 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.876 12.465 -5.500 1.00 0.00 H new ATOM 804 N GLY A 51 -5.784 9.497 -2.087 1.00 0.00 N ATOM 805 CA GLY A 51 -5.225 8.325 -1.350 1.00 0.00 C ATOM 806 C GLY A 51 -5.191 7.087 -2.233 1.00 0.00 C ATOM 807 O GLY A 51 -4.988 5.993 -1.756 1.00 0.00 O ATOM 0 H GLY A 51 -6.680 9.828 -1.728 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.218 8.556 -1.004 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.829 8.127 -0.464 1.00 0.00 H new ATOM 811 N ARG A 52 -5.348 7.247 -3.517 1.00 0.00 N ATOM 812 CA ARG A 52 -5.269 6.065 -4.424 1.00 0.00 C ATOM 813 C ARG A 52 -3.843 6.033 -4.957 1.00 0.00 C ATOM 814 O ARG A 52 -3.570 6.438 -6.066 1.00 0.00 O ATOM 815 CB ARG A 52 -6.243 6.273 -5.588 1.00 0.00 C ATOM 816 CG ARG A 52 -7.651 6.426 -5.032 1.00 0.00 C ATOM 817 CD ARG A 52 -8.675 6.407 -6.156 1.00 0.00 C ATOM 818 NE ARG A 52 -10.016 6.604 -5.542 1.00 0.00 N ATOM 819 CZ ARG A 52 -11.048 6.786 -6.291 1.00 0.00 C ATOM 820 NH1 ARG A 52 -10.892 6.850 -7.578 1.00 0.00 N ATOM 821 NH2 ARG A 52 -12.227 6.926 -5.747 1.00 0.00 N ATOM 0 H ARG A 52 -5.527 8.139 -3.977 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.522 5.137 -3.911 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.965 7.159 -6.158 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.198 5.426 -6.273 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.860 5.620 -4.329 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.729 7.361 -4.477 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.465 7.195 -6.879 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.635 5.460 -6.695 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.118 6.595 -4.527 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.961 6.756 -7.984 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.700 6.994 -8.183 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.328 6.891 -4.733 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -13.047 7.070 -6.337 1.00 0.00 H new ATOM 835 N SER A 53 -2.927 5.585 -4.137 1.00 0.00 N ATOM 836 CA SER A 53 -1.490 5.554 -4.533 1.00 0.00 C ATOM 837 C SER A 53 -1.142 4.320 -5.344 1.00 0.00 C ATOM 838 O SER A 53 -1.766 3.284 -5.227 1.00 0.00 O ATOM 839 CB SER A 53 -0.626 5.556 -3.276 1.00 0.00 C ATOM 840 OG SER A 53 0.734 5.411 -3.640 1.00 0.00 O ATOM 0 H SER A 53 -3.118 5.235 -3.198 1.00 0.00 H new ATOM 0 HA SER A 53 -1.303 6.433 -5.150 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.769 6.485 -2.725 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.925 4.743 -2.614 1.00 0.00 H new ATOM 0 HG SER A 53 1.016 6.187 -4.169 1.00 0.00 H new ATOM 846 N GLU A 54 -0.089 4.411 -6.113 1.00 0.00 N ATOM 847 CA GLU A 54 0.401 3.240 -6.889 1.00 0.00 C ATOM 848 C GLU A 54 1.895 3.127 -6.610 1.00 0.00 C ATOM 849 O GLU A 54 2.621 4.095 -6.713 1.00 0.00 O ATOM 850 CB GLU A 54 0.169 3.457 -8.386 1.00 0.00 C ATOM 851 CG GLU A 54 -1.330 3.334 -8.696 1.00 0.00 C ATOM 852 CD GLU A 54 -1.584 3.649 -10.176 1.00 0.00 C ATOM 853 OE1 GLU A 54 -1.074 4.650 -10.647 1.00 0.00 O ATOM 854 OE2 GLU A 54 -2.292 2.883 -10.811 1.00 0.00 O ATOM 0 H GLU A 54 0.459 5.262 -6.236 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.129 2.333 -6.599 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.533 4.441 -8.682 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.732 2.722 -8.962 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.677 2.327 -8.465 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.898 4.019 -8.067 1.00 0.00 H new ATOM 861 N ILE A 55 2.368 1.970 -6.234 1.00 0.00 N ATOM 862 CA ILE A 55 3.826 1.821 -5.925 1.00 0.00 C ATOM 863 C ILE A 55 4.302 0.453 -6.379 1.00 0.00 C ATOM 864 O ILE A 55 3.517 -0.456 -6.566 1.00 0.00 O ATOM 865 CB ILE A 55 4.030 1.994 -4.418 1.00 0.00 C ATOM 866 CG1 ILE A 55 5.452 1.548 -3.994 1.00 0.00 C ATOM 867 CG2 ILE A 55 2.989 1.156 -3.686 1.00 0.00 C ATOM 868 CD1 ILE A 55 5.915 2.299 -2.725 1.00 0.00 C ATOM 0 H ILE A 55 1.813 1.121 -6.127 1.00 0.00 H new ATOM 0 HA ILE A 55 4.405 2.579 -6.452 1.00 0.00 H new ATOM 0 HB ILE A 55 3.918 3.048 -4.163 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.459 0.474 -3.808 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.153 1.735 -4.807 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.122 1.269 -2.610 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.990 1.491 -3.965 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.109 0.107 -3.958 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.916 1.966 -2.450 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.930 3.371 -2.922 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.226 2.090 -1.907 1.00 0.00 H new ATOM 880 N ALA A 56 5.589 0.307 -6.582 1.00 0.00 N ATOM 881 CA ALA A 56 6.118 -1.019 -7.061 1.00 0.00 C ATOM 882 C ALA A 56 7.408 -1.419 -6.353 1.00 0.00 C ATOM 883 O ALA A 56 8.069 -0.625 -5.712 1.00 0.00 O ATOM 884 CB ALA A 56 6.403 -0.961 -8.560 1.00 0.00 C ATOM 0 H ALA A 56 6.291 1.034 -6.441 1.00 0.00 H new ATOM 0 HA ALA A 56 5.350 -1.759 -6.836 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.785 -1.925 -8.895 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.483 -0.729 -9.097 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.145 -0.188 -8.760 1.00 0.00 H new ATOM 890 N PHE A 57 7.760 -2.676 -6.504 1.00 0.00 N ATOM 891 CA PHE A 57 9.008 -3.204 -5.882 1.00 0.00 C ATOM 892 C PHE A 57 10.180 -2.931 -6.825 1.00 0.00 C ATOM 893 O PHE A 57 10.134 -3.263 -7.993 1.00 0.00 O ATOM 894 CB PHE A 57 8.903 -4.729 -5.708 1.00 0.00 C ATOM 895 CG PHE A 57 7.806 -5.098 -4.725 1.00 0.00 C ATOM 896 CD1 PHE A 57 7.950 -4.806 -3.362 1.00 0.00 C ATOM 897 CD2 PHE A 57 6.649 -5.753 -5.178 1.00 0.00 C ATOM 898 CE1 PHE A 57 6.938 -5.165 -2.453 1.00 0.00 C ATOM 899 CE2 PHE A 57 5.642 -6.109 -4.268 1.00 0.00 C ATOM 900 CZ PHE A 57 5.787 -5.816 -2.909 1.00 0.00 C ATOM 0 H PHE A 57 7.227 -3.362 -7.038 1.00 0.00 H new ATOM 0 HA PHE A 57 9.154 -2.722 -4.915 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.701 -5.194 -6.673 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.857 -5.124 -5.357 1.00 0.00 H new ATOM 0 HD1 PHE A 57 8.839 -4.305 -3.009 1.00 0.00 H new ATOM 0 HD2 PHE A 57 6.534 -5.983 -6.227 1.00 0.00 H new ATOM 0 HE1 PHE A 57 7.050 -4.938 -1.403 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.752 -6.611 -4.619 1.00 0.00 H new ATOM 0 HZ PHE A 57 5.010 -6.092 -2.211 1.00 0.00 H new ATOM 910 N VAL A 58 11.237 -2.350 -6.334 1.00 0.00 N ATOM 911 CA VAL A 58 12.404 -2.074 -7.223 1.00 0.00 C ATOM 912 C VAL A 58 12.927 -3.395 -7.797 1.00 0.00 C ATOM 913 O VAL A 58 13.267 -3.481 -8.959 1.00 0.00 O ATOM 914 CB VAL A 58 13.521 -1.411 -6.407 1.00 0.00 C ATOM 915 CG1 VAL A 58 14.742 -1.172 -7.301 1.00 0.00 C ATOM 916 CG2 VAL A 58 13.013 -0.085 -5.849 1.00 0.00 C ATOM 0 H VAL A 58 11.346 -2.055 -5.364 1.00 0.00 H new ATOM 0 HA VAL A 58 12.095 -1.413 -8.033 1.00 0.00 H new ATOM 0 HB VAL A 58 13.811 -2.063 -5.583 1.00 0.00 H new ATOM 0 HG11 VAL A 58 15.533 -0.701 -6.718 1.00 0.00 H new ATOM 0 HG12 VAL A 58 15.098 -2.125 -7.693 1.00 0.00 H new ATOM 0 HG13 VAL A 58 14.464 -0.520 -8.129 1.00 0.00 H new ATOM 0 HG21 VAL A 58 13.802 0.391 -5.268 1.00 0.00 H new ATOM 0 HG22 VAL A 58 12.723 0.569 -6.672 1.00 0.00 H new ATOM 0 HG23 VAL A 58 12.150 -0.267 -5.208 1.00 0.00 H new ATOM 926 N ALA A 59 12.994 -4.420 -6.988 1.00 0.00 N ATOM 927 CA ALA A 59 13.494 -5.743 -7.477 1.00 0.00 C ATOM 928 C ALA A 59 12.600 -6.301 -8.606 1.00 0.00 C ATOM 929 O ALA A 59 13.095 -6.845 -9.575 1.00 0.00 O ATOM 930 CB ALA A 59 13.527 -6.731 -6.303 1.00 0.00 C ATOM 0 H ALA A 59 12.723 -4.399 -6.005 1.00 0.00 H new ATOM 0 HA ALA A 59 14.497 -5.607 -7.883 1.00 0.00 H new ATOM 0 HB1 ALA A 59 13.890 -7.698 -6.651 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.192 -6.352 -5.527 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.522 -6.846 -5.896 1.00 0.00 H new ATOM 936 N THR A 60 11.294 -6.196 -8.475 1.00 0.00 N ATOM 937 CA THR A 60 10.361 -6.746 -9.530 1.00 0.00 C ATOM 938 C THR A 60 9.489 -5.629 -10.114 1.00 0.00 C ATOM 939 O THR A 60 9.027 -4.751 -9.411 1.00 0.00 O ATOM 940 CB THR A 60 9.452 -7.803 -8.890 1.00 0.00 C ATOM 941 OG1 THR A 60 10.252 -8.723 -8.163 1.00 0.00 O ATOM 942 CG2 THR A 60 8.665 -8.569 -9.961 1.00 0.00 C ATOM 0 H THR A 60 10.829 -5.753 -7.683 1.00 0.00 H new ATOM 0 HA THR A 60 10.955 -7.186 -10.331 1.00 0.00 H new ATOM 0 HB THR A 60 8.747 -7.300 -8.228 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.251 -9.590 -8.620 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.028 -9.313 -9.482 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.047 -7.872 -10.527 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.360 -9.068 -10.636 1.00 0.00 H new ATOM 950 N GLY A 61 9.252 -5.668 -11.398 1.00 0.00 N ATOM 951 CA GLY A 61 8.411 -4.623 -12.041 1.00 0.00 C ATOM 952 C GLY A 61 6.954 -4.817 -11.636 1.00 0.00 C ATOM 953 O GLY A 61 6.066 -4.177 -12.165 1.00 0.00 O ATOM 0 H GLY A 61 9.608 -6.384 -12.031 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.753 -3.632 -11.742 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.508 -4.680 -13.125 1.00 0.00 H new ATOM 957 N THR A 62 6.697 -5.673 -10.687 1.00 0.00 N ATOM 958 CA THR A 62 5.293 -5.879 -10.243 1.00 0.00 C ATOM 959 C THR A 62 4.831 -4.624 -9.498 1.00 0.00 C ATOM 960 O THR A 62 5.567 -4.053 -8.716 1.00 0.00 O ATOM 961 CB THR A 62 5.216 -7.092 -9.302 1.00 0.00 C ATOM 962 OG1 THR A 62 5.588 -8.266 -10.012 1.00 0.00 O ATOM 963 CG2 THR A 62 3.788 -7.233 -8.766 1.00 0.00 C ATOM 0 H THR A 62 7.396 -6.236 -10.202 1.00 0.00 H new ATOM 0 HA THR A 62 4.654 -6.062 -11.107 1.00 0.00 H new ATOM 0 HB THR A 62 5.899 -6.950 -8.464 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.541 -9.040 -9.412 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.733 -8.093 -8.099 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.514 -6.331 -8.219 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.099 -7.375 -9.599 1.00 0.00 H new ATOM 971 N ASN A 63 3.619 -4.185 -9.737 1.00 0.00 N ATOM 972 CA ASN A 63 3.103 -2.960 -9.050 1.00 0.00 C ATOM 973 C ASN A 63 1.795 -3.270 -8.337 1.00 0.00 C ATOM 974 O ASN A 63 0.910 -3.912 -8.872 1.00 0.00 O ATOM 975 CB ASN A 63 2.871 -1.850 -10.073 1.00 0.00 C ATOM 976 CG ASN A 63 2.323 -0.618 -9.354 1.00 0.00 C ATOM 977 OD1 ASN A 63 3.038 0.338 -9.125 1.00 0.00 O ATOM 978 ND2 ASN A 63 1.071 -0.607 -8.974 1.00 0.00 N ATOM 0 H ASN A 63 2.962 -4.625 -10.382 1.00 0.00 H new ATOM 0 HA ASN A 63 3.842 -2.632 -8.318 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.804 -1.606 -10.581 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.169 -2.183 -10.837 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.694 0.205 -8.485 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.472 -1.410 -9.167 1.00 0.00 H new ATOM 985 N LEU A 64 1.668 -2.794 -7.128 1.00 0.00 N ATOM 986 CA LEU A 64 0.424 -3.024 -6.338 1.00 0.00 C ATOM 987 C LEU A 64 -0.281 -1.672 -6.165 1.00 0.00 C ATOM 988 O LEU A 64 0.329 -0.693 -5.784 1.00 0.00 O ATOM 989 CB LEU A 64 0.792 -3.607 -4.950 1.00 0.00 C ATOM 990 CG LEU A 64 1.009 -5.142 -5.006 1.00 0.00 C ATOM 991 CD1 LEU A 64 -0.341 -5.881 -5.152 1.00 0.00 C ATOM 992 CD2 LEU A 64 1.934 -5.510 -6.180 1.00 0.00 C ATOM 0 H LEU A 64 2.383 -2.248 -6.648 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.231 -3.729 -6.850 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.698 -3.125 -4.583 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.001 -3.378 -4.238 1.00 0.00 H new ATOM 0 HG LEU A 64 1.478 -5.452 -4.072 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.165 -6.956 -5.189 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.978 -5.647 -4.299 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.833 -5.562 -6.071 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.077 -6.590 -6.206 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.482 -5.181 -7.116 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.899 -5.020 -6.051 1.00 0.00 H new ATOM 1004 N SER A 65 -1.561 -1.616 -6.431 1.00 0.00 N ATOM 1005 CA SER A 65 -2.317 -0.335 -6.270 1.00 0.00 C ATOM 1006 C SER A 65 -3.083 -0.398 -4.935 1.00 0.00 C ATOM 1007 O SER A 65 -3.493 -1.456 -4.510 1.00 0.00 O ATOM 1008 CB SER A 65 -3.288 -0.176 -7.439 1.00 0.00 C ATOM 1009 OG SER A 65 -4.464 -0.934 -7.187 1.00 0.00 O ATOM 0 H SER A 65 -2.119 -2.406 -6.755 1.00 0.00 H new ATOM 0 HA SER A 65 -1.641 0.520 -6.263 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.542 0.875 -7.573 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.818 -0.511 -8.364 1.00 0.00 H new ATOM 0 HG SER A 65 -5.087 -0.830 -7.936 1.00 0.00 H new ATOM 1015 N LEU A 66 -3.275 0.710 -4.259 1.00 0.00 N ATOM 1016 CA LEU A 66 -4.012 0.662 -2.949 1.00 0.00 C ATOM 1017 C LEU A 66 -4.821 1.950 -2.761 1.00 0.00 C ATOM 1018 O LEU A 66 -4.553 2.972 -3.372 1.00 0.00 O ATOM 1019 CB LEU A 66 -3.018 0.471 -1.775 1.00 0.00 C ATOM 1020 CG LEU A 66 -1.631 1.065 -2.135 1.00 0.00 C ATOM 1021 CD1 LEU A 66 -0.856 1.413 -0.843 1.00 0.00 C ATOM 1022 CD2 LEU A 66 -0.806 0.057 -2.986 1.00 0.00 C ATOM 0 H LEU A 66 -2.959 1.635 -4.550 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.696 -0.187 -2.959 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.406 0.956 -0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.917 -0.590 -1.545 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.785 1.971 -2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.117 1.830 -1.103 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.421 2.145 -0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.717 0.510 -0.248 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.163 0.493 -3.228 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.659 -0.863 -2.420 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.343 -0.166 -3.908 1.00 0.00 H new ATOM 1034 N GLN A 67 -5.811 1.899 -1.908 1.00 0.00 N ATOM 1035 CA GLN A 67 -6.662 3.100 -1.660 1.00 0.00 C ATOM 1036 C GLN A 67 -7.015 3.150 -0.172 1.00 0.00 C ATOM 1037 O GLN A 67 -7.848 2.400 0.299 1.00 0.00 O ATOM 1038 CB GLN A 67 -7.952 2.978 -2.483 1.00 0.00 C ATOM 1039 CG GLN A 67 -7.607 2.725 -3.949 1.00 0.00 C ATOM 1040 CD GLN A 67 -8.900 2.667 -4.764 1.00 0.00 C ATOM 1041 OE1 GLN A 67 -9.885 2.125 -4.307 1.00 0.00 O ATOM 1042 NE2 GLN A 67 -8.950 3.216 -5.952 1.00 0.00 N ATOM 0 H GLN A 67 -6.068 1.072 -1.369 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.129 4.006 -1.948 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.564 2.163 -2.098 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.541 3.890 -2.391 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.960 3.518 -4.325 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.057 1.790 -4.050 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.123 3.672 -6.338 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.815 3.187 -6.491 1.00 0.00 H new ATOM 1051 N PHE A 68 -6.388 4.012 0.586 1.00 0.00 N ATOM 1052 CA PHE A 68 -6.703 4.081 2.054 1.00 0.00 C ATOM 1053 C PHE A 68 -7.845 5.076 2.328 1.00 0.00 C ATOM 1054 O PHE A 68 -8.952 4.682 2.636 1.00 0.00 O ATOM 1055 CB PHE A 68 -5.440 4.467 2.846 1.00 0.00 C ATOM 1056 CG PHE A 68 -4.517 5.291 1.973 1.00 0.00 C ATOM 1057 CD1 PHE A 68 -3.722 4.641 1.024 1.00 0.00 C ATOM 1058 CD2 PHE A 68 -4.458 6.687 2.106 1.00 0.00 C ATOM 1059 CE1 PHE A 68 -2.860 5.382 0.204 1.00 0.00 C ATOM 1060 CE2 PHE A 68 -3.593 7.430 1.285 1.00 0.00 C ATOM 1061 CZ PHE A 68 -2.795 6.777 0.333 1.00 0.00 C ATOM 0 H PHE A 68 -5.677 4.667 0.261 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.036 3.097 2.383 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.717 5.034 3.735 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.926 3.569 3.188 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.772 3.567 0.923 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.075 7.188 2.837 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.246 4.878 -0.528 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.542 8.504 1.387 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.132 7.348 -0.300 1.00 0.00 H new ATOM 1071 N PHE A 69 -7.583 6.356 2.240 1.00 0.00 N ATOM 1072 CA PHE A 69 -8.663 7.369 2.506 1.00 0.00 C ATOM 1073 C PHE A 69 -8.494 8.549 1.556 1.00 0.00 C ATOM 1074 O PHE A 69 -7.988 9.585 1.936 1.00 0.00 O ATOM 1075 CB PHE A 69 -8.568 7.878 3.956 1.00 0.00 C ATOM 1076 CG PHE A 69 -9.652 8.917 4.214 1.00 0.00 C ATOM 1077 CD1 PHE A 69 -11.009 8.565 4.122 1.00 0.00 C ATOM 1078 CD2 PHE A 69 -9.301 10.243 4.545 1.00 0.00 C ATOM 1079 CE1 PHE A 69 -12.004 9.529 4.356 1.00 0.00 C ATOM 1080 CE2 PHE A 69 -10.300 11.199 4.778 1.00 0.00 C ATOM 1081 CZ PHE A 69 -11.649 10.843 4.681 1.00 0.00 C ATOM 0 H PHE A 69 -6.673 6.747 1.997 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.634 6.899 2.351 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.678 7.045 4.651 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.585 8.314 4.134 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.288 7.552 3.871 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.260 10.522 4.619 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.046 9.255 4.285 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -10.027 12.212 5.033 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.417 11.582 4.857 1.00 0.00 H new ATOM 1091 N PRO A 70 -8.914 8.401 0.329 1.00 0.00 N ATOM 1092 CA PRO A 70 -8.806 9.471 -0.696 1.00 0.00 C ATOM 1093 C PRO A 70 -10.024 10.395 -0.683 1.00 0.00 C ATOM 1094 O PRO A 70 -11.147 9.946 -0.577 1.00 0.00 O ATOM 1095 CB PRO A 70 -8.749 8.656 -1.989 1.00 0.00 C ATOM 1096 CG PRO A 70 -9.698 7.536 -1.731 1.00 0.00 C ATOM 1097 CD PRO A 70 -9.546 7.195 -0.237 1.00 0.00 C ATOM 0 HA PRO A 70 -7.955 10.135 -0.546 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -9.052 9.249 -2.852 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -7.742 8.291 -2.191 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -10.722 7.829 -1.963 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.464 6.673 -2.355 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.510 6.991 0.228 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -8.927 6.310 -0.088 1.00 0.00 H new ATOM 1105 N ALA A 71 -9.815 11.680 -0.791 1.00 0.00 N ATOM 1106 CA ALA A 71 -10.976 12.612 -0.783 1.00 0.00 C ATOM 1107 C ALA A 71 -11.950 12.190 -1.888 1.00 0.00 C ATOM 1108 O ALA A 71 -13.145 12.106 -1.677 1.00 0.00 O ATOM 1109 CB ALA A 71 -10.479 14.043 -1.026 1.00 0.00 C ATOM 0 H ALA A 71 -8.899 12.120 -0.883 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.485 12.578 0.180 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -11.327 14.728 -1.021 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.780 14.324 -0.238 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.977 14.095 -1.992 1.00 0.00 H new ATOM 1115 N SER A 72 -11.447 11.900 -3.058 1.00 0.00 N ATOM 1116 CA SER A 72 -12.340 11.456 -4.169 1.00 0.00 C ATOM 1117 C SER A 72 -11.485 10.965 -5.344 1.00 0.00 C ATOM 1118 O SER A 72 -10.284 10.825 -5.229 1.00 0.00 O ATOM 1119 CB SER A 72 -13.213 12.616 -4.628 1.00 0.00 C ATOM 1120 OG SER A 72 -14.277 12.099 -5.413 1.00 0.00 O ATOM 0 H SER A 72 -10.456 11.951 -3.293 1.00 0.00 H new ATOM 0 HA SER A 72 -12.978 10.646 -3.815 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.606 13.157 -3.767 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.624 13.326 -5.209 1.00 0.00 H new ATOM 0 HG SER A 72 -14.849 12.835 -5.714 1.00 0.00 H new ATOM 1126 N TRP A 73 -12.090 10.719 -6.480 1.00 0.00 N ATOM 1127 CA TRP A 73 -11.303 10.264 -7.657 1.00 0.00 C ATOM 1128 C TRP A 73 -10.663 11.500 -8.304 1.00 0.00 C ATOM 1129 O TRP A 73 -10.541 12.536 -7.683 1.00 0.00 O ATOM 1130 CB TRP A 73 -12.236 9.553 -8.660 1.00 0.00 C ATOM 1131 CG TRP A 73 -11.477 8.553 -9.491 1.00 0.00 C ATOM 1132 CD1 TRP A 73 -10.128 8.515 -9.654 1.00 0.00 C ATOM 1133 CD2 TRP A 73 -12.008 7.427 -10.263 1.00 0.00 C ATOM 1134 NE1 TRP A 73 -9.803 7.444 -10.466 1.00 0.00 N ATOM 1135 CE2 TRP A 73 -10.925 6.744 -10.867 1.00 0.00 C ATOM 1136 CE3 TRP A 73 -13.312 6.939 -10.499 1.00 0.00 C ATOM 1137 CZ2 TRP A 73 -11.124 5.616 -11.665 1.00 0.00 C ATOM 1138 CZ3 TRP A 73 -13.512 5.803 -11.308 1.00 0.00 C ATOM 1139 CH2 TRP A 73 -12.420 5.145 -11.888 1.00 0.00 C ATOM 0 H TRP A 73 -13.093 10.815 -6.638 1.00 0.00 H new ATOM 0 HA TRP A 73 -10.528 9.560 -7.354 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -13.038 9.049 -8.121 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -12.705 10.291 -9.311 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -9.424 9.209 -9.220 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -8.850 7.200 -10.736 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -14.161 7.439 -10.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -10.279 5.110 -12.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -14.513 5.437 -11.482 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -12.580 4.274 -12.507 1.00 0.00 H new ATOM 1150 N GLN A 74 -10.252 11.399 -9.536 1.00 0.00 N ATOM 1151 CA GLN A 74 -9.612 12.569 -10.212 1.00 0.00 C ATOM 1152 C GLN A 74 -10.684 13.600 -10.590 1.00 0.00 C ATOM 1153 O GLN A 74 -10.399 14.603 -11.210 1.00 0.00 O ATOM 1154 CB GLN A 74 -8.878 12.103 -11.481 1.00 0.00 C ATOM 1155 CG GLN A 74 -7.682 11.223 -11.098 1.00 0.00 C ATOM 1156 CD GLN A 74 -6.906 10.845 -12.357 1.00 0.00 C ATOM 1157 OE1 GLN A 74 -5.827 10.291 -12.272 1.00 0.00 O ATOM 1158 NE2 GLN A 74 -7.416 11.120 -13.530 1.00 0.00 N ATOM 0 H GLN A 74 -10.330 10.558 -10.108 1.00 0.00 H new ATOM 0 HA GLN A 74 -8.896 13.025 -9.529 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -9.560 11.545 -12.122 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -8.537 12.966 -12.052 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -7.032 11.756 -10.403 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.027 10.324 -10.587 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.322 11.585 -13.596 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -6.908 10.870 -14.378 1.00 0.00 H new ATOM 1167 N GLY A 75 -11.912 13.364 -10.208 1.00 0.00 N ATOM 1168 CA GLY A 75 -12.999 14.334 -10.529 1.00 0.00 C ATOM 1169 C GLY A 75 -12.816 15.589 -9.678 1.00 0.00 C ATOM 1170 O GLY A 75 -11.750 15.830 -9.152 1.00 0.00 O ATOM 0 H GLY A 75 -12.209 12.539 -9.686 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.973 14.591 -11.588 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.973 13.886 -10.333 1.00 0.00 H new ATOM 1174 N GLU A 76 -13.834 16.390 -9.525 1.00 0.00 N ATOM 1175 CA GLU A 76 -13.665 17.617 -8.689 1.00 0.00 C ATOM 1176 C GLU A 76 -13.460 17.209 -7.226 1.00 0.00 C ATOM 1177 O GLU A 76 -14.299 17.424 -6.379 1.00 0.00 O ATOM 1178 CB GLU A 76 -14.896 18.528 -8.811 1.00 0.00 C ATOM 1179 CG GLU A 76 -16.181 17.728 -8.566 1.00 0.00 C ATOM 1180 CD GLU A 76 -17.387 18.585 -8.947 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -17.406 19.745 -8.570 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -18.271 18.069 -9.608 1.00 0.00 O ATOM 0 H GLU A 76 -14.759 16.255 -9.933 1.00 0.00 H new ATOM 0 HA GLU A 76 -12.794 18.169 -9.041 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.825 19.344 -8.091 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -14.925 18.980 -9.803 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -16.171 16.811 -9.155 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -16.246 17.433 -7.519 1.00 0.00 H new ATOM 1189 N GLN A 77 -12.327 16.638 -6.927 1.00 0.00 N ATOM 1190 CA GLN A 77 -12.037 16.225 -5.526 1.00 0.00 C ATOM 1191 C GLN A 77 -11.781 17.455 -4.663 1.00 0.00 C ATOM 1192 O GLN A 77 -11.642 18.561 -5.148 1.00 0.00 O ATOM 1193 CB GLN A 77 -10.804 15.316 -5.486 1.00 0.00 C ATOM 1194 CG GLN A 77 -9.539 16.110 -5.831 1.00 0.00 C ATOM 1195 CD GLN A 77 -8.377 15.138 -6.042 1.00 0.00 C ATOM 1196 OE1 GLN A 77 -8.500 14.181 -6.781 1.00 0.00 O ATOM 1197 NE2 GLN A 77 -7.243 15.347 -5.428 1.00 0.00 N ATOM 0 H GLN A 77 -11.585 16.438 -7.597 1.00 0.00 H new ATOM 0 HA GLN A 77 -12.899 15.681 -5.140 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -10.703 14.873 -4.495 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -10.928 14.494 -6.191 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -9.701 16.702 -6.731 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -9.303 16.808 -5.028 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -7.139 16.150 -4.808 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -6.461 14.707 -5.569 1.00 0.00 H new ATOM 1206 N ARG A 78 -11.703 17.257 -3.380 1.00 0.00 N ATOM 1207 CA ARG A 78 -11.434 18.387 -2.455 1.00 0.00 C ATOM 1208 C ARG A 78 -9.921 18.444 -2.213 1.00 0.00 C ATOM 1209 O ARG A 78 -9.235 17.441 -2.243 1.00 0.00 O ATOM 1210 CB ARG A 78 -12.167 18.146 -1.132 1.00 0.00 C ATOM 1211 CG ARG A 78 -13.673 17.998 -1.381 1.00 0.00 C ATOM 1212 CD ARG A 78 -14.274 19.334 -1.830 1.00 0.00 C ATOM 1213 NE ARG A 78 -15.762 19.304 -1.632 1.00 0.00 N ATOM 1214 CZ ARG A 78 -16.498 18.334 -2.123 1.00 0.00 C ATOM 1215 NH1 ARG A 78 -15.991 17.496 -2.977 1.00 0.00 N ATOM 1216 NH2 ARG A 78 -17.763 18.237 -1.794 1.00 0.00 N ATOM 0 H ARG A 78 -11.816 16.350 -2.928 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.783 19.328 -2.881 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.780 17.247 -0.652 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.984 18.976 -0.450 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -13.849 17.238 -2.143 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -14.167 17.657 -0.471 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -13.837 20.152 -1.258 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -14.039 19.517 -2.879 1.00 0.00 H new ATOM 0 HE ARG A 78 -16.211 20.053 -1.105 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -15.018 17.591 -3.268 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -16.566 16.744 -3.356 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -18.177 18.916 -1.155 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -18.333 17.483 -2.177 1.00 0.00 H new ATOM 1230 N GLN A 79 -9.401 19.620 -2.014 1.00 0.00 N ATOM 1231 CA GLN A 79 -7.931 19.785 -1.811 1.00 0.00 C ATOM 1232 C GLN A 79 -7.535 19.492 -0.358 1.00 0.00 C ATOM 1233 O GLN A 79 -6.383 19.606 0.010 1.00 0.00 O ATOM 1234 CB GLN A 79 -7.535 21.217 -2.227 1.00 0.00 C ATOM 1235 CG GLN A 79 -8.212 22.262 -1.331 1.00 0.00 C ATOM 1236 CD GLN A 79 -9.710 22.346 -1.653 1.00 0.00 C ATOM 1237 OE1 GLN A 79 -10.515 22.583 -0.772 1.00 0.00 O ATOM 1238 NE2 GLN A 79 -10.124 22.159 -2.886 1.00 0.00 N ATOM 0 H GLN A 79 -9.936 20.488 -1.982 1.00 0.00 H new ATOM 0 HA GLN A 79 -7.393 19.068 -2.431 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.452 21.330 -2.168 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.817 21.388 -3.266 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.072 21.998 -0.283 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.746 23.236 -1.479 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.450 21.960 -3.626 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -11.119 22.213 -3.104 1.00 0.00 H new ATOM 1247 N THR A 80 -8.455 19.081 0.466 1.00 0.00 N ATOM 1248 CA THR A 80 -8.081 18.764 1.869 1.00 0.00 C ATOM 1249 C THR A 80 -7.419 17.367 1.874 1.00 0.00 C ATOM 1250 O THR A 80 -7.959 16.435 1.313 1.00 0.00 O ATOM 1251 CB THR A 80 -9.360 18.759 2.714 1.00 0.00 C ATOM 1252 OG1 THR A 80 -9.043 18.553 4.081 1.00 0.00 O ATOM 1253 CG2 THR A 80 -10.277 17.644 2.232 1.00 0.00 C ATOM 0 H THR A 80 -9.439 18.952 0.232 1.00 0.00 H new ATOM 0 HA THR A 80 -7.386 19.496 2.280 1.00 0.00 H new ATOM 0 HB THR A 80 -9.861 19.721 2.608 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.867 18.553 4.612 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.188 17.637 2.831 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.532 17.810 1.185 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.769 16.685 2.334 1.00 0.00 H new ATOM 1261 N PRO A 81 -6.256 17.205 2.469 1.00 0.00 N ATOM 1262 CA PRO A 81 -5.553 15.884 2.491 1.00 0.00 C ATOM 1263 C PRO A 81 -6.124 14.934 3.556 1.00 0.00 C ATOM 1264 O PRO A 81 -7.017 15.284 4.300 1.00 0.00 O ATOM 1265 CB PRO A 81 -4.114 16.269 2.838 1.00 0.00 C ATOM 1266 CG PRO A 81 -4.262 17.462 3.723 1.00 0.00 C ATOM 1267 CD PRO A 81 -5.466 18.236 3.180 1.00 0.00 C ATOM 0 HA PRO A 81 -5.657 15.346 1.549 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.595 15.457 3.347 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.537 16.505 1.944 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.424 17.163 4.759 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -3.362 18.076 3.705 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -6.041 18.697 3.983 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.157 19.037 2.509 1.00 0.00 H new ATOM 1275 N SER A 82 -5.595 13.741 3.650 1.00 0.00 N ATOM 1276 CA SER A 82 -6.093 12.789 4.675 1.00 0.00 C ATOM 1277 C SER A 82 -5.417 13.104 6.011 1.00 0.00 C ATOM 1278 O SER A 82 -4.217 13.001 6.157 1.00 0.00 O ATOM 1279 CB SER A 82 -5.740 11.363 4.252 1.00 0.00 C ATOM 1280 OG SER A 82 -6.004 10.474 5.327 1.00 0.00 O ATOM 0 H SER A 82 -4.841 13.390 3.060 1.00 0.00 H new ATOM 0 HA SER A 82 -7.174 12.881 4.776 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.323 11.076 3.377 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.689 11.306 3.968 1.00 0.00 H new ATOM 0 HG SER A 82 -5.780 9.559 5.057 1.00 0.00 H new ATOM 1286 N ARG A 83 -6.183 13.492 6.984 1.00 0.00 N ATOM 1287 CA ARG A 83 -5.599 13.816 8.311 1.00 0.00 C ATOM 1288 C ARG A 83 -4.881 12.586 8.844 1.00 0.00 C ATOM 1289 O ARG A 83 -3.877 12.678 9.526 1.00 0.00 O ATOM 1290 CB ARG A 83 -6.736 14.198 9.261 1.00 0.00 C ATOM 1291 CG ARG A 83 -6.157 14.773 10.561 1.00 0.00 C ATOM 1292 CD ARG A 83 -7.280 15.081 11.553 1.00 0.00 C ATOM 1293 NE ARG A 83 -8.187 16.122 10.984 1.00 0.00 N ATOM 1294 CZ ARG A 83 -9.348 16.362 11.538 1.00 0.00 C ATOM 1295 NH1 ARG A 83 -9.725 15.696 12.594 1.00 0.00 N ATOM 1296 NH2 ARG A 83 -10.136 17.277 11.044 1.00 0.00 N ATOM 0 H ARG A 83 -7.195 13.600 6.919 1.00 0.00 H new ATOM 0 HA ARG A 83 -4.893 14.642 8.228 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.387 14.932 8.787 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.348 13.323 9.480 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.459 14.062 11.002 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.594 15.681 10.346 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.844 14.174 11.771 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.859 15.429 12.496 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.900 16.649 10.159 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.114 14.983 12.993 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.631 15.888 13.021 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.848 17.809 10.223 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.040 17.461 11.479 1.00 0.00 H new ATOM 1310 N GLU A 84 -5.398 11.439 8.527 1.00 0.00 N ATOM 1311 CA GLU A 84 -4.784 10.173 8.998 1.00 0.00 C ATOM 1312 C GLU A 84 -3.332 10.091 8.529 1.00 0.00 C ATOM 1313 O GLU A 84 -2.508 9.474 9.163 1.00 0.00 O ATOM 1314 CB GLU A 84 -5.563 9.002 8.413 1.00 0.00 C ATOM 1315 CG GLU A 84 -7.009 9.037 8.921 1.00 0.00 C ATOM 1316 CD GLU A 84 -7.048 8.713 10.417 1.00 0.00 C ATOM 1317 OE1 GLU A 84 -6.770 9.602 11.206 1.00 0.00 O ATOM 1318 OE2 GLU A 84 -7.369 7.584 10.751 1.00 0.00 O ATOM 0 H GLU A 84 -6.233 11.322 7.953 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.811 10.140 10.087 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.549 9.051 7.324 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.091 8.061 8.696 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.442 10.021 8.743 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.614 8.318 8.369 1.00 0.00 H new ATOM 1325 N TYR A 85 -3.024 10.676 7.408 1.00 0.00 N ATOM 1326 CA TYR A 85 -1.623 10.606 6.893 1.00 0.00 C ATOM 1327 C TYR A 85 -0.676 11.446 7.773 1.00 0.00 C ATOM 1328 O TYR A 85 0.465 11.082 7.983 1.00 0.00 O ATOM 1329 CB TYR A 85 -1.615 11.049 5.399 1.00 0.00 C ATOM 1330 CG TYR A 85 -0.858 12.355 5.146 1.00 0.00 C ATOM 1331 CD1 TYR A 85 0.535 12.426 5.325 1.00 0.00 C ATOM 1332 CD2 TYR A 85 -1.553 13.481 4.674 1.00 0.00 C ATOM 1333 CE1 TYR A 85 1.221 13.619 5.034 1.00 0.00 C ATOM 1334 CE2 TYR A 85 -0.867 14.669 4.392 1.00 0.00 C ATOM 1335 CZ TYR A 85 0.521 14.736 4.571 1.00 0.00 C ATOM 1336 OH TYR A 85 1.197 15.903 4.281 1.00 0.00 O ATOM 0 H TYR A 85 -3.677 11.199 6.824 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.251 9.583 6.944 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.167 10.258 4.798 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.644 11.165 5.058 1.00 0.00 H new ATOM 0 HD1 TYR A 85 1.078 11.565 5.686 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.622 13.430 4.528 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.291 13.672 5.169 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -1.408 15.534 4.037 1.00 0.00 H new ATOM 0 HH TYR A 85 0.561 16.581 3.970 1.00 0.00 H new ATOM 1346 N VAL A 86 -1.129 12.555 8.302 1.00 0.00 N ATOM 1347 CA VAL A 86 -0.230 13.393 9.160 1.00 0.00 C ATOM 1348 C VAL A 86 -0.347 12.978 10.630 1.00 0.00 C ATOM 1349 O VAL A 86 0.282 13.557 11.493 1.00 0.00 O ATOM 1350 CB VAL A 86 -0.576 14.876 9.001 1.00 0.00 C ATOM 1351 CG1 VAL A 86 0.380 15.732 9.855 1.00 0.00 C ATOM 1352 CG2 VAL A 86 -0.417 15.277 7.531 1.00 0.00 C ATOM 0 H VAL A 86 -2.075 12.916 8.179 1.00 0.00 H new ATOM 0 HA VAL A 86 0.799 13.235 8.837 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.603 15.040 9.327 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.128 16.786 9.737 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.282 15.451 10.903 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.407 15.566 9.529 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.662 16.332 7.413 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.613 15.107 7.217 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.088 14.678 6.916 1.00 0.00 H new ATOM 1362 N ASP A 87 -1.115 11.963 10.921 1.00 0.00 N ATOM 1363 CA ASP A 87 -1.228 11.490 12.340 1.00 0.00 C ATOM 1364 C ASP A 87 -0.196 10.379 12.513 1.00 0.00 C ATOM 1365 O ASP A 87 0.046 9.883 13.598 1.00 0.00 O ATOM 1366 CB ASP A 87 -2.653 10.949 12.612 1.00 0.00 C ATOM 1367 CG ASP A 87 -2.879 9.583 11.926 1.00 0.00 C ATOM 1368 OD1 ASP A 87 -1.945 9.048 11.357 1.00 0.00 O ATOM 1369 OD2 ASP A 87 -3.994 9.088 11.998 1.00 0.00 O ATOM 0 H ASP A 87 -1.669 11.439 10.243 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.048 12.304 13.042 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.806 10.848 13.686 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.391 11.666 12.251 1.00 0.00 H new ATOM 1374 N LEU A 88 0.427 10.000 11.419 1.00 0.00 N ATOM 1375 CA LEU A 88 1.472 8.935 11.450 1.00 0.00 C ATOM 1376 C LEU A 88 2.756 9.534 10.913 1.00 0.00 C ATOM 1377 O LEU A 88 3.802 8.922 10.927 1.00 0.00 O ATOM 1378 CB LEU A 88 1.041 7.712 10.622 1.00 0.00 C ATOM 1379 CG LEU A 88 0.360 8.127 9.297 1.00 0.00 C ATOM 1380 CD1 LEU A 88 1.425 8.415 8.219 1.00 0.00 C ATOM 1381 CD2 LEU A 88 -0.553 6.983 8.827 1.00 0.00 C ATOM 0 H LEU A 88 0.249 10.393 10.495 1.00 0.00 H new ATOM 0 HA LEU A 88 1.621 8.584 12.471 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.913 7.094 10.405 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.355 7.100 11.207 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.228 9.031 9.459 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.934 8.706 7.291 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.074 9.224 8.555 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.021 7.519 8.048 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.038 7.265 7.893 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.042 6.084 8.669 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.311 6.788 9.585 1.00 0.00 H new ATOM 1393 N GLU A 89 2.689 10.759 10.483 1.00 0.00 N ATOM 1394 CA GLU A 89 3.900 11.438 9.995 1.00 0.00 C ATOM 1395 C GLU A 89 4.610 11.970 11.226 1.00 0.00 C ATOM 1396 O GLU A 89 5.805 11.859 11.365 1.00 0.00 O ATOM 1397 CB GLU A 89 3.476 12.580 9.076 1.00 0.00 C ATOM 1398 CG GLU A 89 4.692 13.159 8.354 1.00 0.00 C ATOM 1399 CD GLU A 89 4.231 14.304 7.439 1.00 0.00 C ATOM 1400 OE1 GLU A 89 3.035 14.526 7.361 1.00 0.00 O ATOM 1401 OE2 GLU A 89 5.074 14.932 6.822 1.00 0.00 O ATOM 0 H GLU A 89 1.836 11.318 10.451 1.00 0.00 H new ATOM 0 HA GLU A 89 4.558 10.775 9.433 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.750 12.219 8.348 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.984 13.360 9.657 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.421 13.525 9.077 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.186 12.384 7.768 1.00 0.00 H new ATOM 1408 N ARG A 90 3.859 12.517 12.139 1.00 0.00 N ATOM 1409 CA ARG A 90 4.448 13.036 13.401 1.00 0.00 C ATOM 1410 C ARG A 90 5.002 11.876 14.224 1.00 0.00 C ATOM 1411 O ARG A 90 5.806 12.062 15.116 1.00 0.00 O ATOM 1412 CB ARG A 90 3.385 13.788 14.203 1.00 0.00 C ATOM 1413 CG ARG A 90 2.849 14.973 13.391 1.00 0.00 C ATOM 1414 CD ARG A 90 1.786 15.693 14.215 1.00 0.00 C ATOM 1415 NE ARG A 90 0.645 14.772 14.483 1.00 0.00 N ATOM 1416 CZ ARG A 90 -0.173 15.039 15.457 1.00 0.00 C ATOM 1417 NH1 ARG A 90 0.018 16.107 16.179 1.00 0.00 N ATOM 1418 NH2 ARG A 90 -1.171 14.244 15.707 1.00 0.00 N ATOM 0 H ARG A 90 2.848 12.627 12.062 1.00 0.00 H new ATOM 0 HA ARG A 90 5.259 13.724 13.162 1.00 0.00 H new ATOM 0 HB2 ARG A 90 2.568 13.114 14.459 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.811 14.144 15.141 1.00 0.00 H new ATOM 0 HG2 ARG A 90 3.660 15.657 13.141 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.425 14.624 12.450 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.215 16.039 15.156 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.435 16.576 13.681 1.00 0.00 H new ATOM 0 HE ARG A 90 0.508 13.941 13.908 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.804 16.725 15.978 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -0.619 16.325 16.946 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -1.313 13.409 15.138 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -1.812 14.455 16.472 1.00 0.00 H new ATOM 1432 N GLU A 91 4.559 10.678 13.963 1.00 0.00 N ATOM 1433 CA GLU A 91 5.061 9.522 14.761 1.00 0.00 C ATOM 1434 C GLU A 91 6.514 9.189 14.369 1.00 0.00 C ATOM 1435 O GLU A 91 7.442 9.878 14.754 1.00 0.00 O ATOM 1436 CB GLU A 91 4.145 8.306 14.520 1.00 0.00 C ATOM 1437 CG GLU A 91 4.542 7.155 15.451 1.00 0.00 C ATOM 1438 CD GLU A 91 3.641 5.947 15.181 1.00 0.00 C ATOM 1439 OE1 GLU A 91 2.582 5.876 15.784 1.00 0.00 O ATOM 1440 OE2 GLU A 91 4.023 5.116 14.375 1.00 0.00 O ATOM 0 H GLU A 91 3.878 10.449 13.239 1.00 0.00 H new ATOM 0 HA GLU A 91 5.048 9.780 15.820 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.106 8.584 14.695 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.219 7.986 13.481 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.586 6.887 15.290 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.449 7.466 16.492 1.00 0.00 H new ATOM 1447 N ALA A 92 6.722 8.137 13.628 1.00 0.00 N ATOM 1448 CA ALA A 92 8.109 7.747 13.227 1.00 0.00 C ATOM 1449 C ALA A 92 8.777 8.857 12.419 1.00 0.00 C ATOM 1450 O ALA A 92 9.956 8.793 12.124 1.00 0.00 O ATOM 1451 CB ALA A 92 8.039 6.499 12.352 1.00 0.00 C ATOM 0 H ALA A 92 5.986 7.523 13.278 1.00 0.00 H new ATOM 0 HA ALA A 92 8.689 7.563 14.131 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.046 6.206 12.054 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.576 5.687 12.913 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.445 6.711 11.463 1.00 0.00 H new ATOM 1457 N GLY A 93 8.038 9.848 12.004 1.00 0.00 N ATOM 1458 CA GLY A 93 8.653 10.909 11.157 1.00 0.00 C ATOM 1459 C GLY A 93 8.634 10.391 9.719 1.00 0.00 C ATOM 1460 O GLY A 93 9.408 10.803 8.877 1.00 0.00 O ATOM 0 H GLY A 93 7.047 9.969 12.211 1.00 0.00 H new ATOM 0 HA2 GLY A 93 8.095 11.842 11.240 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.673 11.118 11.479 1.00 0.00 H new ATOM 1464 N LYS A 94 7.753 9.455 9.455 1.00 0.00 N ATOM 1465 CA LYS A 94 7.655 8.843 8.099 1.00 0.00 C ATOM 1466 C LYS A 94 6.180 8.763 7.701 1.00 0.00 C ATOM 1467 O LYS A 94 5.313 8.749 8.550 1.00 0.00 O ATOM 1468 CB LYS A 94 8.186 7.416 8.192 1.00 0.00 C ATOM 1469 CG LYS A 94 9.540 7.421 8.900 1.00 0.00 C ATOM 1470 CD LYS A 94 10.193 6.028 8.801 1.00 0.00 C ATOM 1471 CE LYS A 94 10.997 5.893 7.501 1.00 0.00 C ATOM 1472 NZ LYS A 94 12.314 6.561 7.663 1.00 0.00 N ATOM 0 H LYS A 94 7.089 9.086 10.136 1.00 0.00 H new ATOM 0 HA LYS A 94 8.217 9.432 7.374 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.481 6.789 8.738 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.287 6.988 7.194 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.192 8.170 8.450 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.411 7.698 9.946 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.848 5.867 9.657 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.423 5.257 8.839 1.00 0.00 H new ATOM 0 HE2 LYS A 94 11.139 4.840 7.256 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.449 6.342 6.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.873 6.441 6.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 12.169 7.575 7.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.823 6.135 8.464 1.00 0.00 H new ATOM 1486 N VAL A 95 5.884 8.652 6.433 1.00 0.00 N ATOM 1487 CA VAL A 95 4.459 8.516 6.005 1.00 0.00 C ATOM 1488 C VAL A 95 4.271 7.124 5.419 1.00 0.00 C ATOM 1489 O VAL A 95 4.958 6.742 4.495 1.00 0.00 O ATOM 1490 CB VAL A 95 4.136 9.564 4.945 1.00 0.00 C ATOM 1491 CG1 VAL A 95 2.678 9.396 4.496 1.00 0.00 C ATOM 1492 CG2 VAL A 95 4.329 10.960 5.548 1.00 0.00 C ATOM 0 H VAL A 95 6.566 8.650 5.675 1.00 0.00 H new ATOM 0 HA VAL A 95 3.795 8.662 6.857 1.00 0.00 H new ATOM 0 HB VAL A 95 4.796 9.441 4.087 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.442 10.143 3.738 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.539 8.399 4.078 1.00 0.00 H new ATOM 0 HG13 VAL A 95 2.016 9.527 5.352 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.100 11.716 4.797 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.662 11.083 6.401 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.362 11.075 5.875 1.00 0.00 H new ATOM 1502 N TYR A 96 3.358 6.347 5.956 1.00 0.00 N ATOM 1503 CA TYR A 96 3.154 4.973 5.405 1.00 0.00 C ATOM 1504 C TYR A 96 1.683 4.608 5.395 1.00 0.00 C ATOM 1505 O TYR A 96 0.891 5.138 6.145 1.00 0.00 O ATOM 1506 CB TYR A 96 3.929 3.962 6.238 1.00 0.00 C ATOM 1507 CG TYR A 96 3.311 3.743 7.591 1.00 0.00 C ATOM 1508 CD1 TYR A 96 3.568 4.634 8.631 1.00 0.00 C ATOM 1509 CD2 TYR A 96 2.533 2.603 7.813 1.00 0.00 C ATOM 1510 CE1 TYR A 96 3.037 4.395 9.899 1.00 0.00 C ATOM 1511 CE2 TYR A 96 2.010 2.350 9.071 1.00 0.00 C ATOM 1512 CZ TYR A 96 2.258 3.248 10.125 1.00 0.00 C ATOM 1513 OH TYR A 96 1.750 2.997 11.379 1.00 0.00 O ATOM 0 H TYR A 96 2.756 6.601 6.739 1.00 0.00 H new ATOM 0 HA TYR A 96 3.521 4.957 4.379 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.974 3.013 5.704 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.955 4.307 6.362 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.177 5.508 8.456 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.339 1.917 7.001 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.224 5.090 10.704 1.00 0.00 H new ATOM 0 HE2 TYR A 96 1.414 1.466 9.242 1.00 0.00 H new ATOM 0 HH TYR A 96 1.234 2.164 11.362 1.00 0.00 H new ATOM 1523 N LEU A 97 1.321 3.671 4.558 1.00 0.00 N ATOM 1524 CA LEU A 97 -0.099 3.224 4.497 1.00 0.00 C ATOM 1525 C LEU A 97 -0.150 1.697 4.384 1.00 0.00 C ATOM 1526 O LEU A 97 0.712 1.057 3.792 1.00 0.00 O ATOM 1527 CB LEU A 97 -0.855 3.899 3.321 1.00 0.00 C ATOM 1528 CG LEU A 97 0.059 4.174 2.106 1.00 0.00 C ATOM 1529 CD1 LEU A 97 1.111 5.268 2.404 1.00 0.00 C ATOM 1530 CD2 LEU A 97 0.750 2.885 1.680 1.00 0.00 C ATOM 0 H LEU A 97 1.951 3.195 3.912 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.602 3.528 5.415 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.682 3.260 3.011 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.289 4.838 3.664 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.570 4.541 1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.730 5.427 1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.605 6.198 2.665 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.740 4.951 3.236 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.394 3.083 0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.352 2.505 2.505 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.000 2.143 1.406 1.00 0.00 H new ATOM 1542 N LYS A 98 -1.170 1.112 4.958 1.00 0.00 N ATOM 1543 CA LYS A 98 -1.328 -0.369 4.911 1.00 0.00 C ATOM 1544 C LYS A 98 -2.793 -0.709 4.672 1.00 0.00 C ATOM 1545 O LYS A 98 -3.678 0.013 5.086 1.00 0.00 O ATOM 1546 CB LYS A 98 -0.875 -0.962 6.242 1.00 0.00 C ATOM 1547 CG LYS A 98 -1.782 -0.468 7.373 1.00 0.00 C ATOM 1548 CD LYS A 98 -1.147 -0.876 8.703 1.00 0.00 C ATOM 1549 CE LYS A 98 -2.119 -0.656 9.859 1.00 0.00 C ATOM 1550 NZ LYS A 98 -2.281 0.803 10.104 1.00 0.00 N ATOM 0 H LYS A 98 -1.907 1.605 5.462 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.723 -0.782 4.103 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.902 -2.051 6.192 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.158 -0.678 6.443 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.898 0.615 7.323 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.778 -0.900 7.278 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -0.853 -1.925 8.664 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -0.239 -0.297 8.870 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.084 -1.105 9.626 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.747 -1.147 10.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.930 0.951 10.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.356 1.222 10.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.670 1.257 9.253 1.00 0.00 H new ATOM 1564 N ALA A 99 -3.063 -1.794 3.988 1.00 0.00 N ATOM 1565 CA ALA A 99 -4.493 -2.146 3.719 1.00 0.00 C ATOM 1566 C ALA A 99 -4.619 -3.622 3.289 1.00 0.00 C ATOM 1567 O ALA A 99 -3.705 -4.173 2.717 1.00 0.00 O ATOM 1568 CB ALA A 99 -4.997 -1.240 2.594 1.00 0.00 C ATOM 0 H ALA A 99 -2.370 -2.441 3.610 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.083 -2.005 4.624 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -6.039 -1.475 2.377 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.917 -0.198 2.903 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.395 -1.401 1.700 1.00 0.00 H new ATOM 1574 N PRO A 100 -5.755 -4.251 3.502 1.00 0.00 N ATOM 1575 CA PRO A 100 -5.980 -5.658 3.057 1.00 0.00 C ATOM 1576 C PRO A 100 -6.458 -5.686 1.594 1.00 0.00 C ATOM 1577 O PRO A 100 -7.623 -5.473 1.318 1.00 0.00 O ATOM 1578 CB PRO A 100 -7.106 -6.124 3.977 1.00 0.00 C ATOM 1579 CG PRO A 100 -7.937 -4.898 4.162 1.00 0.00 C ATOM 1580 CD PRO A 100 -6.951 -3.718 4.192 1.00 0.00 C ATOM 0 HA PRO A 100 -5.084 -6.276 3.107 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -7.681 -6.934 3.529 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -6.721 -6.494 4.927 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.654 -4.786 3.349 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -8.510 -4.951 5.088 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -7.354 -2.845 3.680 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -6.722 -3.411 5.213 1.00 0.00 H new ATOM 1588 N MET A 101 -5.580 -5.919 0.653 1.00 0.00 N ATOM 1589 CA MET A 101 -6.008 -5.923 -0.788 1.00 0.00 C ATOM 1590 C MET A 101 -6.290 -7.348 -1.265 1.00 0.00 C ATOM 1591 O MET A 101 -5.529 -8.253 -1.014 1.00 0.00 O ATOM 1592 CB MET A 101 -4.888 -5.317 -1.646 1.00 0.00 C ATOM 1593 CG MET A 101 -5.326 -5.242 -3.113 1.00 0.00 C ATOM 1594 SD MET A 101 -6.750 -4.140 -3.270 1.00 0.00 S ATOM 1595 CE MET A 101 -5.819 -2.619 -3.528 1.00 0.00 C ATOM 0 H MET A 101 -4.590 -6.106 0.813 1.00 0.00 H new ATOM 0 HA MET A 101 -6.921 -5.335 -0.885 1.00 0.00 H new ATOM 0 HB2 MET A 101 -4.640 -4.320 -1.282 1.00 0.00 H new ATOM 0 HB3 MET A 101 -3.986 -5.922 -1.559 1.00 0.00 H new ATOM 0 HG2 MET A 101 -4.504 -4.879 -3.730 1.00 0.00 H new ATOM 0 HG3 MET A 101 -5.582 -6.237 -3.477 1.00 0.00 H new ATOM 0 HE1 MET A 101 -6.385 -1.775 -3.135 1.00 0.00 H new ATOM 0 HE2 MET A 101 -4.862 -2.686 -3.011 1.00 0.00 H new ATOM 0 HE3 MET A 101 -5.646 -2.475 -4.594 1.00 0.00 H new ATOM 1605 N ILE A 102 -7.374 -7.557 -1.974 1.00 0.00 N ATOM 1606 CA ILE A 102 -7.680 -8.929 -2.493 1.00 0.00 C ATOM 1607 C ILE A 102 -7.090 -9.108 -3.896 1.00 0.00 C ATOM 1608 O ILE A 102 -7.267 -8.300 -4.786 1.00 0.00 O ATOM 1609 CB ILE A 102 -9.205 -9.210 -2.456 1.00 0.00 C ATOM 1610 CG1 ILE A 102 -9.995 -7.907 -2.662 1.00 0.00 C ATOM 1611 CG2 ILE A 102 -9.583 -9.831 -1.092 1.00 0.00 C ATOM 1612 CD1 ILE A 102 -11.493 -8.188 -2.522 1.00 0.00 C ATOM 0 H ILE A 102 -8.058 -6.840 -2.215 1.00 0.00 H new ATOM 0 HA ILE A 102 -7.210 -9.666 -1.842 1.00 0.00 H new ATOM 0 HB ILE A 102 -9.454 -9.904 -3.259 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -9.684 -7.162 -1.930 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -9.783 -7.493 -3.648 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -10.655 -10.028 -1.066 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -9.039 -10.765 -0.954 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -9.323 -9.138 -0.292 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -12.052 -7.264 -2.668 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -11.798 -8.919 -3.271 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -11.698 -8.582 -1.527 1.00 0.00 H new ATOM 1624 N LEU A 103 -6.376 -10.193 -4.068 1.00 0.00 N ATOM 1625 CA LEU A 103 -5.730 -10.524 -5.374 1.00 0.00 C ATOM 1626 C LEU A 103 -6.598 -11.596 -6.021 1.00 0.00 C ATOM 1627 O LEU A 103 -7.616 -11.962 -5.475 1.00 0.00 O ATOM 1628 CB LEU A 103 -4.308 -11.075 -5.138 1.00 0.00 C ATOM 1629 CG LEU A 103 -3.309 -9.932 -4.865 1.00 0.00 C ATOM 1630 CD1 LEU A 103 -3.898 -8.936 -3.859 1.00 0.00 C ATOM 1631 CD2 LEU A 103 -2.009 -10.516 -4.294 1.00 0.00 C ATOM 0 H LEU A 103 -6.210 -10.882 -3.335 1.00 0.00 H new ATOM 0 HA LEU A 103 -5.645 -9.641 -6.008 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -4.317 -11.764 -4.293 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -3.985 -11.644 -6.010 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.105 -9.413 -5.801 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.181 -8.136 -3.677 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.819 -8.514 -4.262 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.114 -9.450 -2.922 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.302 -9.709 -4.101 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.224 -11.041 -3.363 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.577 -11.213 -5.012 1.00 0.00 H new ATOM 1643 N ASN A 104 -6.240 -12.099 -7.167 1.00 0.00 N ATOM 1644 CA ASN A 104 -7.099 -13.142 -7.796 1.00 0.00 C ATOM 1645 C ASN A 104 -7.080 -14.399 -6.922 1.00 0.00 C ATOM 1646 O ASN A 104 -6.652 -15.457 -7.337 1.00 0.00 O ATOM 1647 CB ASN A 104 -6.550 -13.468 -9.183 1.00 0.00 C ATOM 1648 CG ASN A 104 -7.389 -14.582 -9.819 1.00 0.00 C ATOM 1649 OD1 ASN A 104 -6.987 -15.729 -9.831 1.00 0.00 O ATOM 1650 ND2 ASN A 104 -8.542 -14.293 -10.358 1.00 0.00 N ATOM 0 H ASN A 104 -5.404 -11.840 -7.690 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.123 -12.781 -7.887 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.572 -12.578 -9.812 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -5.508 -13.781 -9.109 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -9.103 -15.029 -10.788 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -8.882 -13.331 -10.350 1.00 0.00 H new ATOM 1657 N GLY A 105 -7.540 -14.269 -5.711 1.00 0.00 N ATOM 1658 CA GLY A 105 -7.562 -15.419 -4.773 1.00 0.00 C ATOM 1659 C GLY A 105 -8.219 -14.979 -3.467 1.00 0.00 C ATOM 1660 O GLY A 105 -9.402 -15.158 -3.261 1.00 0.00 O ATOM 0 H GLY A 105 -7.908 -13.399 -5.327 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -8.113 -16.252 -5.210 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.548 -15.771 -4.585 1.00 0.00 H new ATOM 1664 N VAL A 106 -7.454 -14.400 -2.578 1.00 0.00 N ATOM 1665 CA VAL A 106 -8.025 -13.940 -1.283 1.00 0.00 C ATOM 1666 C VAL A 106 -7.229 -12.716 -0.794 1.00 0.00 C ATOM 1667 O VAL A 106 -6.360 -12.212 -1.483 1.00 0.00 O ATOM 1668 CB VAL A 106 -7.971 -15.076 -0.234 1.00 0.00 C ATOM 1669 CG1 VAL A 106 -9.243 -15.038 0.627 1.00 0.00 C ATOM 1670 CG2 VAL A 106 -7.892 -16.450 -0.924 1.00 0.00 C ATOM 0 H VAL A 106 -6.456 -14.227 -2.696 1.00 0.00 H new ATOM 0 HA VAL A 106 -9.070 -13.663 -1.423 1.00 0.00 H new ATOM 0 HB VAL A 106 -7.085 -14.930 0.384 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -9.206 -15.838 1.366 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -9.309 -14.076 1.136 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -10.117 -15.173 -0.010 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.855 -17.235 -0.169 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.771 -16.593 -1.553 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -6.994 -16.497 -1.540 1.00 0.00 H new ATOM 1680 N CYS A 107 -7.548 -12.214 0.370 1.00 0.00 N ATOM 1681 CA CYS A 107 -6.845 -10.997 0.876 1.00 0.00 C ATOM 1682 C CYS A 107 -5.393 -11.275 1.274 1.00 0.00 C ATOM 1683 O CYS A 107 -5.034 -12.330 1.759 1.00 0.00 O ATOM 1684 CB CYS A 107 -7.597 -10.430 2.080 1.00 0.00 C ATOM 1685 SG CYS A 107 -8.102 -11.781 3.144 1.00 0.00 S ATOM 0 H CYS A 107 -8.263 -12.593 0.991 1.00 0.00 H new ATOM 0 HA CYS A 107 -6.829 -10.276 0.059 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -6.960 -9.737 2.629 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -8.469 -9.867 1.748 1.00 0.00 H new ATOM 0 HG CYS A 107 -9.282 -11.533 3.630 1.00 0.00 H new ATOM 1691 N VAL A 108 -4.582 -10.269 1.095 1.00 0.00 N ATOM 1692 CA VAL A 108 -3.141 -10.316 1.461 1.00 0.00 C ATOM 1693 C VAL A 108 -2.897 -9.008 2.214 1.00 0.00 C ATOM 1694 O VAL A 108 -3.638 -8.066 2.028 1.00 0.00 O ATOM 1695 CB VAL A 108 -2.277 -10.393 0.186 1.00 0.00 C ATOM 1696 CG1 VAL A 108 -2.334 -9.060 -0.559 1.00 0.00 C ATOM 1697 CG2 VAL A 108 -0.829 -10.738 0.548 1.00 0.00 C ATOM 0 H VAL A 108 -4.875 -9.379 0.692 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.882 -11.186 2.064 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.668 -11.177 -0.462 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.722 -9.120 -1.459 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.365 -8.842 -0.835 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.955 -8.267 0.085 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.229 -10.789 -0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.425 -9.969 1.206 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.801 -11.702 1.056 1.00 0.00 H new ATOM 1707 N ILE A 109 -1.924 -8.927 3.083 1.00 0.00 N ATOM 1708 CA ILE A 109 -1.730 -7.650 3.847 1.00 0.00 C ATOM 1709 C ILE A 109 -0.529 -6.877 3.290 1.00 0.00 C ATOM 1710 O ILE A 109 0.558 -7.397 3.179 1.00 0.00 O ATOM 1711 CB ILE A 109 -1.485 -8.006 5.322 1.00 0.00 C ATOM 1712 CG1 ILE A 109 -1.761 -6.788 6.215 1.00 0.00 C ATOM 1713 CG2 ILE A 109 -0.032 -8.458 5.515 1.00 0.00 C ATOM 1714 CD1 ILE A 109 -1.748 -7.220 7.684 1.00 0.00 C ATOM 0 H ILE A 109 -1.263 -9.674 3.298 1.00 0.00 H new ATOM 0 HA ILE A 109 -2.615 -7.021 3.752 1.00 0.00 H new ATOM 0 HB ILE A 109 -2.159 -8.816 5.602 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -1.007 -6.020 6.044 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -2.726 -6.349 5.962 1.00 0.00 H new ATOM 0 HG21 ILE A 109 0.135 -8.709 6.563 1.00 0.00 H new ATOM 0 HG22 ILE A 109 0.162 -9.335 4.897 1.00 0.00 H new ATOM 0 HG23 ILE A 109 0.642 -7.652 5.223 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -1.944 -6.356 8.319 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -2.518 -7.973 7.849 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.772 -7.639 7.932 1.00 0.00 H new ATOM 1726 N TRP A 110 -0.722 -5.633 2.961 1.00 0.00 N ATOM 1727 CA TRP A 110 0.389 -4.797 2.419 1.00 0.00 C ATOM 1728 C TRP A 110 0.620 -3.624 3.382 1.00 0.00 C ATOM 1729 O TRP A 110 -0.318 -2.996 3.819 1.00 0.00 O ATOM 1730 CB TRP A 110 -0.041 -4.295 1.035 1.00 0.00 C ATOM 1731 CG TRP A 110 1.143 -3.851 0.241 1.00 0.00 C ATOM 1732 CD1 TRP A 110 1.868 -4.650 -0.570 1.00 0.00 C ATOM 1733 CD2 TRP A 110 1.743 -2.532 0.159 1.00 0.00 C ATOM 1734 NE1 TRP A 110 2.872 -3.900 -1.151 1.00 0.00 N ATOM 1735 CE2 TRP A 110 2.834 -2.588 -0.734 1.00 0.00 C ATOM 1736 CE3 TRP A 110 1.442 -1.303 0.757 1.00 0.00 C ATOM 1737 CZ2 TRP A 110 3.613 -1.470 -1.009 1.00 0.00 C ATOM 1738 CZ3 TRP A 110 2.223 -0.174 0.483 1.00 0.00 C ATOM 1739 CH2 TRP A 110 3.302 -0.255 -0.404 1.00 0.00 C ATOM 0 H TRP A 110 -1.616 -5.150 3.045 1.00 0.00 H new ATOM 0 HA TRP A 110 1.317 -5.361 2.325 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.565 -5.088 0.502 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.742 -3.468 1.145 1.00 0.00 H new ATOM 0 HD1 TRP A 110 1.692 -5.702 -0.737 1.00 0.00 H new ATOM 0 HE1 TRP A 110 3.557 -4.272 -1.808 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.603 -1.225 1.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.452 -1.543 -1.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 1.991 0.767 0.960 1.00 0.00 H new ATOM 0 HH2 TRP A 110 3.893 0.623 -0.619 1.00 0.00 H new ATOM 1750 N LYS A 111 1.852 -3.334 3.728 1.00 0.00 N ATOM 1751 CA LYS A 111 2.131 -2.199 4.669 1.00 0.00 C ATOM 1752 C LYS A 111 3.466 -1.557 4.289 1.00 0.00 C ATOM 1753 O LYS A 111 4.432 -1.616 5.022 1.00 0.00 O ATOM 1754 CB LYS A 111 2.190 -2.701 6.121 1.00 0.00 C ATOM 1755 CG LYS A 111 2.901 -4.040 6.187 1.00 0.00 C ATOM 1756 CD LYS A 111 2.923 -4.488 7.644 1.00 0.00 C ATOM 1757 CE LYS A 111 3.665 -5.818 7.765 1.00 0.00 C ATOM 1758 NZ LYS A 111 5.136 -5.577 7.685 1.00 0.00 N ATOM 0 H LYS A 111 2.678 -3.834 3.400 1.00 0.00 H new ATOM 0 HA LYS A 111 1.328 -1.465 4.593 1.00 0.00 H new ATOM 0 HB2 LYS A 111 2.711 -1.974 6.743 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.181 -2.797 6.521 1.00 0.00 H new ATOM 0 HG2 LYS A 111 2.386 -4.776 5.569 1.00 0.00 H new ATOM 0 HG3 LYS A 111 3.916 -3.952 5.799 1.00 0.00 H new ATOM 0 HD2 LYS A 111 3.411 -3.732 8.259 1.00 0.00 H new ATOM 0 HD3 LYS A 111 1.904 -4.594 8.017 1.00 0.00 H new ATOM 0 HE2 LYS A 111 3.416 -6.301 8.710 1.00 0.00 H new ATOM 0 HE3 LYS A 111 3.353 -6.494 6.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 5.644 -6.458 7.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 5.384 -5.261 6.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 5.405 -4.844 8.372 1.00 0.00 H new ATOM 1772 N GLY A 112 3.524 -0.945 3.144 1.00 0.00 N ATOM 1773 CA GLY A 112 4.799 -0.297 2.722 1.00 0.00 C ATOM 1774 C GLY A 112 4.987 1.020 3.467 1.00 0.00 C ATOM 1775 O GLY A 112 4.033 1.614 3.930 1.00 0.00 O ATOM 0 H GLY A 112 2.751 -0.863 2.483 1.00 0.00 H new ATOM 0 HA2 GLY A 112 5.639 -0.962 2.925 1.00 0.00 H new ATOM 0 HA3 GLY A 112 4.787 -0.117 1.647 1.00 0.00 H new ATOM 1779 N TRP A 113 6.204 1.498 3.559 1.00 0.00 N ATOM 1780 CA TRP A 113 6.451 2.802 4.248 1.00 0.00 C ATOM 1781 C TRP A 113 7.553 3.589 3.529 1.00 0.00 C ATOM 1782 O TRP A 113 8.278 3.060 2.713 1.00 0.00 O ATOM 1783 CB TRP A 113 6.836 2.569 5.714 1.00 0.00 C ATOM 1784 CG TRP A 113 7.971 1.593 5.822 1.00 0.00 C ATOM 1785 CD1 TRP A 113 7.838 0.267 6.067 1.00 0.00 C ATOM 1786 CD2 TRP A 113 9.399 1.849 5.716 1.00 0.00 C ATOM 1787 NE1 TRP A 113 9.104 -0.304 6.124 1.00 0.00 N ATOM 1788 CE2 TRP A 113 10.099 0.634 5.917 1.00 0.00 C ATOM 1789 CE3 TRP A 113 10.145 3.011 5.466 1.00 0.00 C ATOM 1790 CZ2 TRP A 113 11.498 0.584 5.886 1.00 0.00 C ATOM 1791 CZ3 TRP A 113 11.546 2.964 5.433 1.00 0.00 C ATOM 1792 CH2 TRP A 113 12.222 1.755 5.643 1.00 0.00 C ATOM 0 H TRP A 113 7.037 1.041 3.187 1.00 0.00 H new ATOM 0 HA TRP A 113 5.531 3.386 4.218 1.00 0.00 H new ATOM 0 HB2 TRP A 113 7.120 3.515 6.174 1.00 0.00 H new ATOM 0 HB3 TRP A 113 5.974 2.193 6.265 1.00 0.00 H new ATOM 0 HD1 TRP A 113 6.904 -0.259 6.196 1.00 0.00 H new ATOM 0 HE1 TRP A 113 9.278 -1.294 6.297 1.00 0.00 H new ATOM 0 HE3 TRP A 113 9.636 3.949 5.298 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 12.013 -0.351 6.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 12.108 3.867 5.244 1.00 0.00 H new ATOM 0 HH2 TRP A 113 13.301 1.728 5.617 1.00 0.00 H new ATOM 1803 N ILE A 114 7.649 4.863 3.817 1.00 0.00 N ATOM 1804 CA ILE A 114 8.662 5.737 3.151 1.00 0.00 C ATOM 1805 C ILE A 114 8.916 6.946 4.065 1.00 0.00 C ATOM 1806 O ILE A 114 8.019 7.421 4.734 1.00 0.00 O ATOM 1807 CB ILE A 114 8.101 6.201 1.789 1.00 0.00 C ATOM 1808 CG1 ILE A 114 6.642 6.637 1.973 1.00 0.00 C ATOM 1809 CG2 ILE A 114 8.155 5.061 0.764 1.00 0.00 C ATOM 1810 CD1 ILE A 114 6.009 6.930 0.613 1.00 0.00 C ATOM 0 H ILE A 114 7.058 5.342 4.497 1.00 0.00 H new ATOM 0 HA ILE A 114 9.596 5.201 2.982 1.00 0.00 H new ATOM 0 HB ILE A 114 8.705 7.031 1.424 1.00 0.00 H new ATOM 0 HG12 ILE A 114 6.081 5.854 2.483 1.00 0.00 H new ATOM 0 HG13 ILE A 114 6.596 7.525 2.604 1.00 0.00 H new ATOM 0 HG21 ILE A 114 7.755 5.409 -0.188 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.188 4.742 0.629 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.560 4.221 1.122 1.00 0.00 H new ATOM 0 HD11 ILE A 114 4.973 7.239 0.753 1.00 0.00 H new ATOM 0 HD12 ILE A 114 6.562 7.729 0.119 1.00 0.00 H new ATOM 0 HD13 ILE A 114 6.040 6.032 -0.004 1.00 0.00 H new ATOM 1822 N ASP A 115 10.129 7.429 4.126 1.00 0.00 N ATOM 1823 CA ASP A 115 10.424 8.582 5.030 1.00 0.00 C ATOM 1824 C ASP A 115 9.930 9.886 4.404 1.00 0.00 C ATOM 1825 O ASP A 115 9.590 9.940 3.238 1.00 0.00 O ATOM 1826 CB ASP A 115 11.936 8.650 5.304 1.00 0.00 C ATOM 1827 CG ASP A 115 12.197 9.343 6.645 1.00 0.00 C ATOM 1828 OD1 ASP A 115 11.409 10.198 7.013 1.00 0.00 O ATOM 1829 OD2 ASP A 115 13.172 8.991 7.288 1.00 0.00 O ATOM 0 H ASP A 115 10.925 7.078 3.593 1.00 0.00 H new ATOM 0 HA ASP A 115 9.901 8.440 5.976 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.357 7.645 5.317 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.435 9.194 4.502 1.00 0.00 H new ATOM 1834 N LEU A 116 9.860 10.929 5.178 1.00 0.00 N ATOM 1835 CA LEU A 116 9.355 12.221 4.646 1.00 0.00 C ATOM 1836 C LEU A 116 10.332 12.777 3.602 1.00 0.00 C ATOM 1837 O LEU A 116 9.973 13.591 2.786 1.00 0.00 O ATOM 1838 CB LEU A 116 9.212 13.220 5.805 1.00 0.00 C ATOM 1839 CG LEU A 116 8.179 14.317 5.469 1.00 0.00 C ATOM 1840 CD1 LEU A 116 7.810 15.052 6.766 1.00 0.00 C ATOM 1841 CD2 LEU A 116 8.744 15.325 4.436 1.00 0.00 C ATOM 0 H LEU A 116 10.132 10.942 6.161 1.00 0.00 H new ATOM 0 HA LEU A 116 8.386 12.064 4.172 1.00 0.00 H new ATOM 0 HB2 LEU A 116 8.906 12.692 6.708 1.00 0.00 H new ATOM 0 HB3 LEU A 116 10.178 13.678 6.016 1.00 0.00 H new ATOM 0 HG LEU A 116 7.297 13.852 5.029 1.00 0.00 H new ATOM 0 HD11 LEU A 116 7.080 15.832 6.547 1.00 0.00 H new ATOM 0 HD12 LEU A 116 7.383 14.344 7.476 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.705 15.503 7.196 1.00 0.00 H new ATOM 0 HD21 LEU A 116 7.993 16.085 4.220 1.00 0.00 H new ATOM 0 HD22 LEU A 116 9.636 15.802 4.843 1.00 0.00 H new ATOM 0 HD23 LEU A 116 9.001 14.798 3.517 1.00 0.00 H new ATOM 1853 N HIS A 117 11.574 12.367 3.632 1.00 0.00 N ATOM 1854 CA HIS A 117 12.564 12.905 2.646 1.00 0.00 C ATOM 1855 C HIS A 117 12.703 11.985 1.430 1.00 0.00 C ATOM 1856 O HIS A 117 12.252 12.324 0.354 1.00 0.00 O ATOM 1857 CB HIS A 117 13.931 13.129 3.338 1.00 0.00 C ATOM 1858 CG HIS A 117 14.090 12.210 4.520 1.00 0.00 C ATOM 1859 ND1 HIS A 117 13.835 12.638 5.811 1.00 0.00 N ATOM 1860 CD2 HIS A 117 14.504 10.907 4.635 1.00 0.00 C ATOM 1861 CE1 HIS A 117 14.103 11.611 6.640 1.00 0.00 C ATOM 1862 NE2 HIS A 117 14.512 10.530 5.972 1.00 0.00 N ATOM 0 H HIS A 117 11.946 11.685 4.293 1.00 0.00 H new ATOM 0 HA HIS A 117 12.197 13.864 2.280 1.00 0.00 H new ATOM 0 HB2 HIS A 117 14.737 12.955 2.625 1.00 0.00 H new ATOM 0 HB3 HIS A 117 14.013 14.166 3.664 1.00 0.00 H new ATOM 0 HD2 HIS A 117 14.782 10.269 3.809 1.00 0.00 H new ATOM 0 HE1 HIS A 117 14.000 11.656 7.714 1.00 0.00 H new ATOM 0 HE2 HIS A 117 14.774 9.623 6.359 1.00 0.00 H new ATOM 1870 N ARG A 118 13.352 10.856 1.555 1.00 0.00 N ATOM 1871 CA ARG A 118 13.530 9.977 0.357 1.00 0.00 C ATOM 1872 C ARG A 118 12.358 8.999 0.224 1.00 0.00 C ATOM 1873 O ARG A 118 12.066 8.226 1.115 1.00 0.00 O ATOM 1874 CB ARG A 118 14.862 9.216 0.481 1.00 0.00 C ATOM 1875 CG ARG A 118 14.772 8.124 1.550 1.00 0.00 C ATOM 1876 CD ARG A 118 16.178 7.588 1.835 1.00 0.00 C ATOM 1877 NE ARG A 118 16.097 6.344 2.664 1.00 0.00 N ATOM 1878 CZ ARG A 118 15.446 6.306 3.794 1.00 0.00 C ATOM 1879 NH1 ARG A 118 15.041 7.398 4.386 1.00 0.00 N ATOM 1880 NH2 ARG A 118 15.243 5.156 4.369 1.00 0.00 N ATOM 0 H ARG A 118 13.762 10.507 2.421 1.00 0.00 H new ATOM 0 HA ARG A 118 13.551 10.594 -0.541 1.00 0.00 H new ATOM 0 HB2 ARG A 118 15.121 8.770 -0.479 1.00 0.00 H new ATOM 0 HB3 ARG A 118 15.661 9.913 0.734 1.00 0.00 H new ATOM 0 HG2 ARG A 118 14.330 8.525 2.462 1.00 0.00 H new ATOM 0 HG3 ARG A 118 14.123 7.317 1.210 1.00 0.00 H new ATOM 0 HD2 ARG A 118 16.692 7.376 0.897 1.00 0.00 H new ATOM 0 HD3 ARG A 118 16.765 8.344 2.356 1.00 0.00 H new ATOM 0 HE ARG A 118 16.565 5.500 2.335 1.00 0.00 H new ATOM 0 HH11 ARG A 118 15.232 8.307 3.965 1.00 0.00 H new ATOM 0 HH12 ARG A 118 14.534 7.341 5.269 1.00 0.00 H new ATOM 0 HH21 ARG A 118 15.591 4.301 3.936 1.00 0.00 H new ATOM 0 HH22 ARG A 118 14.736 5.110 5.253 1.00 0.00 H new ATOM 1894 N LEU A 119 11.678 9.036 -0.895 1.00 0.00 N ATOM 1895 CA LEU A 119 10.526 8.119 -1.113 1.00 0.00 C ATOM 1896 C LEU A 119 11.030 6.786 -1.686 1.00 0.00 C ATOM 1897 O LEU A 119 10.571 6.325 -2.712 1.00 0.00 O ATOM 1898 CB LEU A 119 9.503 8.776 -2.066 1.00 0.00 C ATOM 1899 CG LEU A 119 10.205 9.400 -3.318 1.00 0.00 C ATOM 1900 CD1 LEU A 119 9.724 8.705 -4.600 1.00 0.00 C ATOM 1901 CD2 LEU A 119 9.893 10.908 -3.419 1.00 0.00 C ATOM 0 H LEU A 119 11.876 9.668 -1.670 1.00 0.00 H new ATOM 0 HA LEU A 119 10.030 7.923 -0.162 1.00 0.00 H new ATOM 0 HB2 LEU A 119 8.775 8.032 -2.389 1.00 0.00 H new ATOM 0 HB3 LEU A 119 8.952 9.551 -1.532 1.00 0.00 H new ATOM 0 HG LEU A 119 11.280 9.260 -3.206 1.00 0.00 H new ATOM 0 HD11 LEU A 119 10.220 9.149 -5.463 1.00 0.00 H new ATOM 0 HD12 LEU A 119 9.964 7.643 -4.550 1.00 0.00 H new ATOM 0 HD13 LEU A 119 8.646 8.829 -4.698 1.00 0.00 H new ATOM 0 HD21 LEU A 119 10.390 11.324 -4.295 1.00 0.00 H new ATOM 0 HD22 LEU A 119 8.816 11.052 -3.510 1.00 0.00 H new ATOM 0 HD23 LEU A 119 10.252 11.415 -2.523 1.00 0.00 H new ATOM 1913 N ASP A 120 11.977 6.165 -1.017 1.00 0.00 N ATOM 1914 CA ASP A 120 12.536 4.852 -1.495 1.00 0.00 C ATOM 1915 C ASP A 120 12.570 3.860 -0.330 1.00 0.00 C ATOM 1916 O ASP A 120 13.556 3.189 -0.084 1.00 0.00 O ATOM 1917 CB ASP A 120 13.942 5.069 -2.047 1.00 0.00 C ATOM 1918 CG ASP A 120 14.950 5.342 -0.920 1.00 0.00 C ATOM 1919 OD1 ASP A 120 14.574 5.279 0.236 1.00 0.00 O ATOM 1920 OD2 ASP A 120 16.091 5.622 -1.241 1.00 0.00 O ATOM 0 H ASP A 120 12.391 6.514 -0.152 1.00 0.00 H new ATOM 0 HA ASP A 120 11.905 4.448 -2.286 1.00 0.00 H new ATOM 0 HB2 ASP A 120 14.253 4.189 -2.611 1.00 0.00 H new ATOM 0 HB3 ASP A 120 13.936 5.908 -2.743 1.00 0.00 H new ATOM 1925 N GLY A 121 11.506 3.809 0.399 1.00 0.00 N ATOM 1926 CA GLY A 121 11.418 2.925 1.597 1.00 0.00 C ATOM 1927 C GLY A 121 11.439 1.440 1.235 1.00 0.00 C ATOM 1928 O GLY A 121 11.979 1.024 0.232 1.00 0.00 O ATOM 0 H GLY A 121 10.664 4.356 0.217 1.00 0.00 H new ATOM 0 HA2 GLY A 121 12.250 3.144 2.267 1.00 0.00 H new ATOM 0 HA3 GLY A 121 10.501 3.149 2.143 1.00 0.00 H new ATOM 1932 N MET A 122 10.834 0.648 2.088 1.00 0.00 N ATOM 1933 CA MET A 122 10.765 -0.824 1.888 1.00 0.00 C ATOM 1934 C MET A 122 9.367 -1.271 2.305 1.00 0.00 C ATOM 1935 O MET A 122 8.663 -0.557 2.993 1.00 0.00 O ATOM 1936 CB MET A 122 11.801 -1.515 2.783 1.00 0.00 C ATOM 1937 CG MET A 122 13.202 -0.979 2.476 1.00 0.00 C ATOM 1938 SD MET A 122 14.443 -1.999 3.325 1.00 0.00 S ATOM 1939 CE MET A 122 14.319 -3.486 2.289 1.00 0.00 C ATOM 0 H MET A 122 10.374 0.976 2.937 1.00 0.00 H new ATOM 0 HA MET A 122 10.969 -1.082 0.849 1.00 0.00 H new ATOM 0 HB2 MET A 122 11.559 -1.343 3.832 1.00 0.00 H new ATOM 0 HB3 MET A 122 11.772 -2.593 2.621 1.00 0.00 H new ATOM 0 HG2 MET A 122 13.380 -0.992 1.401 1.00 0.00 H new ATOM 0 HG3 MET A 122 13.285 0.058 2.801 1.00 0.00 H new ATOM 0 HE1 MET A 122 15.282 -3.995 2.267 1.00 0.00 H new ATOM 0 HE2 MET A 122 13.564 -4.155 2.702 1.00 0.00 H new ATOM 0 HE3 MET A 122 14.036 -3.201 1.276 1.00 0.00 H new ATOM 1949 N GLY A 123 8.947 -2.431 1.902 1.00 0.00 N ATOM 1950 CA GLY A 123 7.578 -2.884 2.291 1.00 0.00 C ATOM 1951 C GLY A 123 7.484 -4.404 2.218 1.00 0.00 C ATOM 1952 O GLY A 123 7.516 -4.995 1.156 1.00 0.00 O ATOM 0 H GLY A 123 9.480 -3.083 1.327 1.00 0.00 H new ATOM 0 HA2 GLY A 123 7.349 -2.547 3.302 1.00 0.00 H new ATOM 0 HA3 GLY A 123 6.837 -2.435 1.630 1.00 0.00 H new ATOM 1956 N CYS A 124 7.354 -5.036 3.352 1.00 0.00 N ATOM 1957 CA CYS A 124 7.235 -6.518 3.384 1.00 0.00 C ATOM 1958 C CYS A 124 5.779 -6.898 3.136 1.00 0.00 C ATOM 1959 O CYS A 124 4.869 -6.300 3.678 1.00 0.00 O ATOM 1960 CB CYS A 124 7.694 -7.039 4.747 1.00 0.00 C ATOM 1961 SG CYS A 124 7.848 -8.840 4.705 1.00 0.00 S ATOM 0 H CYS A 124 7.325 -4.583 4.265 1.00 0.00 H new ATOM 0 HA CYS A 124 7.863 -6.962 2.612 1.00 0.00 H new ATOM 0 HB2 CYS A 124 8.651 -6.591 5.013 1.00 0.00 H new ATOM 0 HB3 CYS A 124 6.980 -6.745 5.516 1.00 0.00 H new ATOM 0 HG CYS A 124 6.759 -9.357 4.219 1.00 0.00 H new ATOM 1967 N LEU A 125 5.556 -7.886 2.313 1.00 0.00 N ATOM 1968 CA LEU A 125 4.155 -8.337 1.999 1.00 0.00 C ATOM 1969 C LEU A 125 4.017 -9.803 2.416 1.00 0.00 C ATOM 1970 O LEU A 125 4.910 -10.597 2.222 1.00 0.00 O ATOM 1971 CB LEU A 125 3.920 -8.114 0.496 1.00 0.00 C ATOM 1972 CG LEU A 125 2.649 -8.812 -0.006 1.00 0.00 C ATOM 1973 CD1 LEU A 125 1.428 -8.275 0.759 1.00 0.00 C ATOM 1974 CD2 LEU A 125 2.488 -8.545 -1.517 1.00 0.00 C ATOM 0 H LEU A 125 6.289 -8.411 1.835 1.00 0.00 H new ATOM 0 HA LEU A 125 3.399 -7.773 2.545 1.00 0.00 H new ATOM 0 HB2 LEU A 125 3.847 -7.045 0.297 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.780 -8.484 -0.063 1.00 0.00 H new ATOM 0 HG LEU A 125 2.726 -9.886 0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 125 0.527 -8.772 0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 125 1.551 -8.471 1.824 1.00 0.00 H new ATOM 0 HD13 LEU A 125 1.339 -7.201 0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 125 1.586 -9.039 -1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 125 2.409 -7.472 -1.690 1.00 0.00 H new ATOM 0 HD23 LEU A 125 3.355 -8.936 -2.050 1.00 0.00 H new ATOM 1986 N GLU A 126 2.911 -10.161 3.029 1.00 0.00 N ATOM 1987 CA GLU A 126 2.746 -11.578 3.497 1.00 0.00 C ATOM 1988 C GLU A 126 1.285 -12.003 3.405 1.00 0.00 C ATOM 1989 O GLU A 126 0.399 -11.329 3.887 1.00 0.00 O ATOM 1990 CB GLU A 126 3.160 -11.708 4.972 1.00 0.00 C ATOM 1991 CG GLU A 126 4.602 -11.259 5.183 1.00 0.00 C ATOM 1992 CD GLU A 126 5.539 -12.115 4.339 1.00 0.00 C ATOM 1993 OE1 GLU A 126 5.173 -13.238 4.032 1.00 0.00 O ATOM 1994 OE2 GLU A 126 6.610 -11.638 4.019 1.00 0.00 O ATOM 0 H GLU A 126 2.124 -9.542 3.224 1.00 0.00 H new ATOM 0 HA GLU A 126 3.372 -12.205 2.862 1.00 0.00 H new ATOM 0 HB2 GLU A 126 2.495 -11.108 5.593 1.00 0.00 H new ATOM 0 HB3 GLU A 126 3.048 -12.743 5.294 1.00 0.00 H new ATOM 0 HG2 GLU A 126 4.709 -10.209 4.910 1.00 0.00 H new ATOM 0 HG3 GLU A 126 4.868 -11.343 6.237 1.00 0.00 H new ATOM 2001 N PHE A 127 1.032 -13.132 2.819 1.00 0.00 N ATOM 2002 CA PHE A 127 -0.366 -13.626 2.722 1.00 0.00 C ATOM 2003 C PHE A 127 -0.763 -14.310 4.041 1.00 0.00 C ATOM 2004 O PHE A 127 -0.442 -15.459 4.269 1.00 0.00 O ATOM 2005 CB PHE A 127 -0.419 -14.610 1.542 1.00 0.00 C ATOM 2006 CG PHE A 127 -1.757 -14.546 0.852 1.00 0.00 C ATOM 2007 CD1 PHE A 127 -2.887 -15.066 1.488 1.00 0.00 C ATOM 2008 CD2 PHE A 127 -1.864 -13.981 -0.429 1.00 0.00 C ATOM 2009 CE1 PHE A 127 -4.129 -15.027 0.853 1.00 0.00 C ATOM 2010 CE2 PHE A 127 -3.111 -13.945 -1.067 1.00 0.00 C ATOM 2011 CZ PHE A 127 -4.242 -14.470 -0.425 1.00 0.00 C ATOM 0 H PHE A 127 1.736 -13.739 2.400 1.00 0.00 H new ATOM 0 HA PHE A 127 -1.069 -12.810 2.554 1.00 0.00 H new ATOM 0 HB2 PHE A 127 0.373 -14.376 0.831 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -0.237 -15.624 1.899 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -2.799 -15.499 2.473 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -0.991 -13.577 -0.919 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -5.002 -15.426 1.348 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -3.201 -13.513 -2.053 1.00 0.00 H new ATOM 0 HZ PHE A 127 -5.202 -14.444 -0.919 1.00 0.00 H new ATOM 2021 N ASP A 128 -1.458 -13.620 4.907 1.00 0.00 N ATOM 2022 CA ASP A 128 -1.870 -14.248 6.197 1.00 0.00 C ATOM 2023 C ASP A 128 -3.107 -13.547 6.753 1.00 0.00 C ATOM 2024 O ASP A 128 -3.337 -13.525 7.943 1.00 0.00 O ATOM 2025 CB ASP A 128 -0.722 -14.136 7.194 1.00 0.00 C ATOM 2026 CG ASP A 128 -1.061 -14.953 8.437 1.00 0.00 C ATOM 2027 OD1 ASP A 128 -2.129 -15.544 8.456 1.00 0.00 O ATOM 2028 OD2 ASP A 128 -0.250 -14.977 9.347 1.00 0.00 O ATOM 0 H ASP A 128 -1.757 -12.653 4.778 1.00 0.00 H new ATOM 0 HA ASP A 128 -2.111 -15.297 6.028 1.00 0.00 H new ATOM 0 HB2 ASP A 128 0.203 -14.499 6.746 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -0.557 -13.093 7.463 1.00 0.00 H new ATOM 2033 N GLU A 129 -3.889 -12.958 5.905 1.00 0.00 N ATOM 2034 CA GLU A 129 -5.097 -12.232 6.383 1.00 0.00 C ATOM 2035 C GLU A 129 -6.152 -13.184 6.992 1.00 0.00 C ATOM 2036 O GLU A 129 -6.744 -14.031 6.323 1.00 0.00 O ATOM 2037 CB GLU A 129 -5.670 -11.439 5.201 1.00 0.00 C ATOM 2038 CG GLU A 129 -4.752 -10.250 4.866 1.00 0.00 C ATOM 2039 CD GLU A 129 -4.827 -9.207 5.986 1.00 0.00 C ATOM 2040 OE1 GLU A 129 -4.074 -9.328 6.937 1.00 0.00 O ATOM 2041 OE2 GLU A 129 -5.629 -8.298 5.866 1.00 0.00 O ATOM 0 H GLU A 129 -3.747 -12.945 4.895 1.00 0.00 H new ATOM 0 HA GLU A 129 -4.815 -11.554 7.189 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -5.769 -12.088 4.331 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -6.670 -11.079 5.445 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -3.725 -10.594 4.745 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -5.052 -9.802 3.919 1.00 0.00 H new ATOM 2048 N GLU A 130 -6.432 -13.013 8.265 1.00 0.00 N ATOM 2049 CA GLU A 130 -7.468 -13.857 8.917 1.00 0.00 C ATOM 2050 C GLU A 130 -8.780 -13.609 8.193 1.00 0.00 C ATOM 2051 O GLU A 130 -9.631 -14.472 8.083 1.00 0.00 O ATOM 2052 CB GLU A 130 -7.607 -13.484 10.399 1.00 0.00 C ATOM 2053 CG GLU A 130 -8.086 -12.036 10.543 1.00 0.00 C ATOM 2054 CD GLU A 130 -8.008 -11.631 12.016 1.00 0.00 C ATOM 2055 OE1 GLU A 130 -8.534 -12.362 12.840 1.00 0.00 O ATOM 2056 OE2 GLU A 130 -7.416 -10.603 12.299 1.00 0.00 O ATOM 0 H GLU A 130 -5.986 -12.326 8.873 1.00 0.00 H new ATOM 0 HA GLU A 130 -7.190 -14.909 8.862 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -8.313 -14.157 10.885 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -6.649 -13.609 10.903 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -7.469 -11.373 9.937 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -9.109 -11.940 10.180 1.00 0.00 H new ATOM 2063 N ARG A 131 -8.946 -12.435 7.665 1.00 0.00 N ATOM 2064 CA ARG A 131 -10.198 -12.162 6.928 1.00 0.00 C ATOM 2065 C ARG A 131 -10.190 -13.013 5.654 1.00 0.00 C ATOM 2066 O ARG A 131 -11.201 -13.216 5.014 1.00 0.00 O ATOM 2067 CB ARG A 131 -10.366 -10.666 6.628 1.00 0.00 C ATOM 2068 CG ARG A 131 -9.054 -10.045 6.162 1.00 0.00 C ATOM 2069 CD ARG A 131 -9.208 -8.533 6.118 1.00 0.00 C ATOM 2070 NE ARG A 131 -10.309 -8.191 5.178 1.00 0.00 N ATOM 2071 CZ ARG A 131 -10.828 -6.995 5.207 1.00 0.00 C ATOM 2072 NH1 ARG A 131 -10.367 -6.116 6.055 1.00 0.00 N ATOM 2073 NH2 ARG A 131 -11.791 -6.666 4.382 1.00 0.00 N ATOM 0 H ARG A 131 -8.279 -11.664 7.711 1.00 0.00 H new ATOM 0 HA ARG A 131 -11.058 -12.434 7.540 1.00 0.00 H new ATOM 0 HB2 ARG A 131 -11.128 -10.530 5.861 1.00 0.00 H new ATOM 0 HB3 ARG A 131 -10.718 -10.151 7.522 1.00 0.00 H new ATOM 0 HG2 ARG A 131 -8.246 -10.321 6.839 1.00 0.00 H new ATOM 0 HG3 ARG A 131 -8.787 -10.425 5.176 1.00 0.00 H new ATOM 0 HD2 ARG A 131 -9.428 -8.147 7.113 1.00 0.00 H new ATOM 0 HD3 ARG A 131 -8.277 -8.068 5.794 1.00 0.00 H new ATOM 0 HE ARG A 131 -10.655 -8.886 4.516 1.00 0.00 H new ATOM 0 HH11 ARG A 131 -9.607 -6.367 6.687 1.00 0.00 H new ATOM 0 HH12 ARG A 131 -10.767 -5.178 6.085 1.00 0.00 H new ATOM 0 HH21 ARG A 131 -12.141 -7.348 3.709 1.00 0.00 H new ATOM 0 HH22 ARG A 131 -12.190 -5.728 4.413 1.00 0.00 H new ATOM 2087 N ALA A 132 -9.046 -13.556 5.312 1.00 0.00 N ATOM 2088 CA ALA A 132 -8.954 -14.448 4.118 1.00 0.00 C ATOM 2089 C ALA A 132 -9.778 -15.687 4.372 1.00 0.00 C ATOM 2090 O ALA A 132 -10.545 -16.114 3.534 1.00 0.00 O ATOM 2091 CB ALA A 132 -7.501 -14.882 3.908 1.00 0.00 C ATOM 0 H ALA A 132 -8.168 -13.417 5.813 1.00 0.00 H new ATOM 0 HA ALA A 132 -9.315 -13.912 3.240 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -7.438 -15.533 3.036 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -6.878 -14.002 3.750 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -7.151 -15.421 4.789 1.00 0.00 H new ATOM 2097 N GLN A 133 -9.618 -16.295 5.506 1.00 0.00 N ATOM 2098 CA GLN A 133 -10.415 -17.533 5.733 1.00 0.00 C ATOM 2099 C GLN A 133 -11.918 -17.199 5.666 1.00 0.00 C ATOM 2100 O GLN A 133 -12.695 -17.900 5.032 1.00 0.00 O ATOM 2101 CB GLN A 133 -10.048 -18.170 7.094 1.00 0.00 C ATOM 2102 CG GLN A 133 -10.822 -17.504 8.246 1.00 0.00 C ATOM 2103 CD GLN A 133 -10.261 -17.963 9.592 1.00 0.00 C ATOM 2104 OE1 GLN A 133 -9.373 -18.793 9.644 1.00 0.00 O ATOM 2105 NE2 GLN A 133 -10.746 -17.447 10.694 1.00 0.00 N ATOM 0 H GLN A 133 -8.997 -16.008 6.262 1.00 0.00 H new ATOM 0 HA GLN A 133 -10.183 -18.258 4.953 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -10.271 -19.237 7.071 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -8.976 -18.072 7.268 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -10.749 -16.420 8.164 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -11.880 -17.758 8.178 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -11.490 -16.751 10.647 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -10.379 -17.741 11.599 1.00 0.00 H new ATOM 2114 N GLN A 134 -12.349 -16.141 6.310 1.00 0.00 N ATOM 2115 CA GLN A 134 -13.810 -15.820 6.273 1.00 0.00 C ATOM 2116 C GLN A 134 -14.237 -15.210 4.920 1.00 0.00 C ATOM 2117 O GLN A 134 -15.252 -15.585 4.369 1.00 0.00 O ATOM 2118 CB GLN A 134 -14.158 -14.849 7.414 1.00 0.00 C ATOM 2119 CG GLN A 134 -13.792 -13.417 7.026 1.00 0.00 C ATOM 2120 CD GLN A 134 -13.845 -12.509 8.253 1.00 0.00 C ATOM 2121 OE1 GLN A 134 -13.442 -12.892 9.334 1.00 0.00 O ATOM 2122 NE2 GLN A 134 -14.307 -11.298 8.123 1.00 0.00 N ATOM 0 H GLN A 134 -11.767 -15.499 6.848 1.00 0.00 H new ATOM 0 HA GLN A 134 -14.356 -16.755 6.399 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -15.223 -14.910 7.640 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -13.623 -15.135 8.319 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -12.793 -13.394 6.591 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -14.480 -13.052 6.264 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -14.645 -10.976 7.216 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -14.330 -10.672 8.928 1.00 0.00 H new ATOM 2131 N GLU A 135 -13.504 -14.252 4.399 1.00 0.00 N ATOM 2132 CA GLU A 135 -13.940 -13.617 3.112 1.00 0.00 C ATOM 2133 C GLU A 135 -13.912 -14.648 1.981 1.00 0.00 C ATOM 2134 O GLU A 135 -14.699 -14.586 1.056 1.00 0.00 O ATOM 2135 CB GLU A 135 -13.037 -12.406 2.783 1.00 0.00 C ATOM 2136 CG GLU A 135 -11.818 -12.828 1.963 1.00 0.00 C ATOM 2137 CD GLU A 135 -10.797 -11.691 1.946 1.00 0.00 C ATOM 2138 OE1 GLU A 135 -10.940 -10.777 2.743 1.00 0.00 O ATOM 2139 OE2 GLU A 135 -9.885 -11.752 1.139 1.00 0.00 O ATOM 0 H GLU A 135 -12.639 -13.888 4.800 1.00 0.00 H new ATOM 0 HA GLU A 135 -14.963 -13.258 3.219 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -13.610 -11.662 2.230 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -12.709 -11.932 3.708 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -11.372 -13.726 2.391 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -12.119 -13.076 0.945 1.00 0.00 H new ATOM 2146 N ASP A 136 -13.033 -15.606 2.058 1.00 0.00 N ATOM 2147 CA ASP A 136 -12.984 -16.633 0.985 1.00 0.00 C ATOM 2148 C ASP A 136 -14.335 -17.334 0.935 1.00 0.00 C ATOM 2149 O ASP A 136 -14.914 -17.499 -0.121 1.00 0.00 O ATOM 2150 CB ASP A 136 -11.896 -17.652 1.315 1.00 0.00 C ATOM 2151 CG ASP A 136 -11.730 -18.627 0.149 1.00 0.00 C ATOM 2152 OD1 ASP A 136 -12.449 -18.483 -0.826 1.00 0.00 O ATOM 2153 OD2 ASP A 136 -10.884 -19.500 0.247 1.00 0.00 O ATOM 0 H ASP A 136 -12.353 -15.722 2.810 1.00 0.00 H new ATOM 0 HA ASP A 136 -12.764 -16.169 0.024 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -10.953 -17.141 1.511 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -12.158 -18.197 2.222 1.00 0.00 H new ATOM 2158 N ALA A 137 -14.865 -17.722 2.065 1.00 0.00 N ATOM 2159 CA ALA A 137 -16.208 -18.381 2.055 1.00 0.00 C ATOM 2160 C ALA A 137 -17.283 -17.375 1.621 1.00 0.00 C ATOM 2161 O ALA A 137 -18.200 -17.704 0.894 1.00 0.00 O ATOM 2162 CB ALA A 137 -16.550 -18.895 3.454 1.00 0.00 C ATOM 0 H ALA A 137 -14.435 -17.614 2.984 1.00 0.00 H new ATOM 0 HA ALA A 137 -16.179 -19.215 1.354 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -17.529 -19.373 3.437 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -15.798 -19.619 3.770 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -16.566 -18.060 4.154 1.00 0.00 H new ATOM 2168 N LEU A 138 -17.186 -16.155 2.086 1.00 0.00 N ATOM 2169 CA LEU A 138 -18.197 -15.115 1.727 1.00 0.00 C ATOM 2170 C LEU A 138 -17.839 -14.436 0.391 1.00 0.00 C ATOM 2171 O LEU A 138 -18.559 -13.576 -0.069 1.00 0.00 O ATOM 2172 CB LEU A 138 -18.243 -14.056 2.835 1.00 0.00 C ATOM 2173 CG LEU A 138 -18.595 -14.703 4.180 1.00 0.00 C ATOM 2174 CD1 LEU A 138 -18.509 -13.638 5.278 1.00 0.00 C ATOM 2175 CD2 LEU A 138 -20.021 -15.288 4.143 1.00 0.00 C ATOM 0 H LEU A 138 -16.442 -15.832 2.705 1.00 0.00 H new ATOM 0 HA LEU A 138 -19.169 -15.596 1.621 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -17.278 -13.554 2.907 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -18.981 -13.293 2.587 1.00 0.00 H new ATOM 0 HG LEU A 138 -17.894 -15.512 4.382 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -18.757 -14.086 6.240 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -17.497 -13.235 5.316 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -19.212 -12.834 5.060 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -20.253 -15.743 5.106 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -20.736 -14.491 3.936 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -20.084 -16.044 3.360 1.00 0.00 H new ATOM 2187 N ALA A 139 -16.734 -14.777 -0.236 1.00 0.00 N ATOM 2188 CA ALA A 139 -16.391 -14.088 -1.526 1.00 0.00 C ATOM 2189 C ALA A 139 -17.293 -14.608 -2.643 1.00 0.00 C ATOM 2190 O ALA A 139 -18.130 -13.895 -3.157 1.00 0.00 O ATOM 2191 CB ALA A 139 -14.927 -14.355 -1.893 1.00 0.00 C ATOM 0 H ALA A 139 -16.070 -15.484 0.079 1.00 0.00 H new ATOM 0 HA ALA A 139 -16.541 -13.015 -1.402 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -14.689 -13.851 -2.830 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -14.279 -13.977 -1.102 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -14.771 -15.428 -2.008 1.00 0.00 H new ATOM 2197 N GLN A 140 -17.142 -15.844 -3.016 1.00 0.00 N ATOM 2198 CA GLN A 140 -18.004 -16.402 -4.089 1.00 0.00 C ATOM 2199 C GLN A 140 -19.309 -16.923 -3.468 1.00 0.00 C ATOM 2200 O GLN A 140 -19.341 -17.355 -2.336 1.00 0.00 O ATOM 2201 CB GLN A 140 -17.254 -17.544 -4.771 1.00 0.00 C ATOM 2202 CG GLN A 140 -16.060 -16.984 -5.555 1.00 0.00 C ATOM 2203 CD GLN A 140 -15.258 -18.136 -6.162 1.00 0.00 C ATOM 2204 OE1 GLN A 140 -14.579 -18.848 -5.452 1.00 0.00 O ATOM 2205 NE2 GLN A 140 -15.290 -18.345 -7.449 1.00 0.00 N ATOM 0 H GLN A 140 -16.459 -16.492 -2.624 1.00 0.00 H new ATOM 0 HA GLN A 140 -18.244 -15.633 -4.824 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -16.908 -18.261 -4.026 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -17.923 -18.081 -5.443 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -16.410 -16.317 -6.343 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -15.424 -16.393 -4.896 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -15.860 -17.748 -8.049 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -14.745 -19.105 -7.856 1.00 0.00 H new ATOM 2214 N GLN A 141 -20.388 -16.884 -4.206 1.00 0.00 N ATOM 2215 CA GLN A 141 -21.694 -17.379 -3.659 1.00 0.00 C ATOM 2216 C GLN A 141 -21.899 -18.838 -4.064 1.00 0.00 C ATOM 2217 O GLN A 141 -22.066 -19.082 -5.247 1.00 0.00 O ATOM 2218 CB GLN A 141 -22.840 -16.543 -4.233 1.00 0.00 C ATOM 2219 CG GLN A 141 -24.159 -16.908 -3.542 1.00 0.00 C ATOM 2220 CD GLN A 141 -25.293 -16.071 -4.142 1.00 0.00 C ATOM 2221 OE1 GLN A 141 -25.092 -15.342 -5.096 1.00 0.00 O ATOM 2222 NE2 GLN A 141 -26.483 -16.130 -3.609 1.00 0.00 N ATOM 2223 OXT GLN A 141 -21.895 -19.685 -3.187 1.00 0.00 O ATOM 0 H GLN A 141 -20.425 -16.532 -5.163 1.00 0.00 H new ATOM 0 HA GLN A 141 -21.681 -17.294 -2.572 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -22.630 -15.482 -4.096 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -22.923 -16.715 -5.306 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -24.368 -17.970 -3.670 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -24.084 -16.725 -2.470 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -26.654 -16.740 -2.810 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -27.242 -15.566 -3.992 1.00 0.00 H new TER 2232 GLN A 141