USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 993 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 31 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 82 TYR OH : rot 70:sc= 0.12 USER MOD Set 2.1: A 24 LYS NZ :NH3+ 153:sc= 1.06 (180deg=-0.333) USER MOD Set 2.2: A 26 THR OG1 : rot 115:sc= 0.981 USER MOD Set 3.1: A 19 SER OG : rot -104:sc= 1.17 USER MOD Set 3.2: A 23 THR OG1 : rot 84:sc= 1.3 USER MOD Set 3.3: A 89 TYR OH : rot 30:sc= 0.985 USER MOD Set 4.1: A 8 ASN : amide:sc= 0.107 X(o=0.26,f=0.35) USER MOD Set 4.2: A 10 THR OG1 : rot 180:sc= 0.156 USER MOD Set 5.1: A 4 GLN : amide:sc= -0.0181 K(o=0.0057,f=-0.54) USER MOD Set 5.2: A 6 LYS NZ :NH3+ 141:sc= 0.0238 (180deg=0) USER MOD Single : A 1 LYS N :NH3+ -173:sc= 0 (180deg=-0.0687) USER MOD Single : A 1 LYS NZ :NH3+ 166:sc= -0.0159 (180deg=-0.231) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00702 USER MOD Single : A 18 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0924) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0396 USER MOD Single : A 32 GLN : amide:sc= 0.244 X(o=0.24,f=-0.093) USER MOD Single : A 34 SER OG : rot -18:sc= 1.21 USER MOD Single : A 37 THR OG1 : rot 73:sc= 1.22 USER MOD Single : A 41 THR OG1 : rot 87:sc= 1.23 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.114 X(o=-0.11,f=0.16) USER MOD Single : A 50 LYS NZ :NH3+ -139:sc= 1.17 (180deg=-0.395) USER MOD Single : A 57 THR OG1 : rot -75:sc= 1.24 USER MOD Single : A 65 LYS NZ :NH3+ 164:sc= 0.845 (180deg=0.543) USER MOD Single : A 66 LYS NZ :NH3+ -177:sc= 1.29 (180deg=1.22) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 172:sc= -1.87 (180deg=-1.97!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0.301 X(o=0.3,f=-0.031) USER MOD Single : A 84 THR OG1 : rot 89:sc= 1.28 USER MOD Single : A 87 MET CE :methyl 156:sc= -0.208 (180deg=-1.58) USER MOD Single : A 92 GLN : amide:sc= -0.488 K(o=-0.49,f=-4.3!) USER MOD Single : A 93 GLN : amide:sc= -0.0749 K(o=-0.075,f=-1.5) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 MET CE :methyl -179:sc= -7.39! (180deg=-7.43!) USER MOD Single : A 99 ASN : amide:sc= -2.52 K(o=-2.5,f=-3.9!) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 110 LYS NZ :NH3+ -162:sc= 1.19 (180deg=0.82) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 HIS : no HE2:sc= 1.16 K(o=1.2,f=-3.9!) USER MOD Single : A 116 HIS : no HD1:sc=-0.00496 X(o=-0.005,f=0) USER MOD Single : A 117 HIS : no HD1:sc= -0.0347 X(o=-0.035,f=-0.013) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -29.312 -10.516 -11.995 1.00 0.00 N ATOM 2 CA LYS A 1 -28.433 -9.678 -12.838 1.00 0.00 C ATOM 3 C LYS A 1 -27.021 -9.648 -12.275 1.00 0.00 C ATOM 4 O LYS A 1 -26.816 -9.286 -11.117 1.00 0.00 O ATOM 5 CB LYS A 1 -28.962 -8.242 -12.910 1.00 0.00 C ATOM 6 CG LYS A 1 -30.357 -8.115 -13.496 1.00 0.00 C ATOM 7 CD LYS A 1 -30.778 -6.656 -13.583 1.00 0.00 C ATOM 8 CE LYS A 1 -32.199 -6.504 -14.102 1.00 0.00 C ATOM 9 NZ LYS A 1 -33.194 -7.135 -13.195 1.00 0.00 N ATOM 0 H1 LYS A 1 -30.238 -10.622 -12.457 1.00 0.00 H new ATOM 0 H2 LYS A 1 -28.880 -11.453 -11.867 1.00 0.00 H new ATOM 0 H3 LYS A 1 -29.437 -10.063 -11.067 1.00 0.00 H new ATOM 0 HA LYS A 1 -28.421 -10.114 -13.837 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -28.963 -7.818 -11.906 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -28.274 -7.644 -13.508 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -30.381 -8.565 -14.489 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -31.067 -8.666 -12.879 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -30.701 -6.197 -12.597 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -30.093 -6.119 -14.239 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -32.432 -5.445 -14.215 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -32.274 -6.955 -15.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -34.149 -6.812 -13.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -33.142 -8.169 -13.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -32.988 -6.865 -12.212 1.00 0.00 H new ATOM 25 N SER A 2 -26.057 -10.037 -13.094 1.00 0.00 N ATOM 26 CA SER A 2 -24.658 -9.954 -12.719 1.00 0.00 C ATOM 27 C SER A 2 -24.194 -8.503 -12.781 1.00 0.00 C ATOM 28 O SER A 2 -24.312 -7.847 -13.819 1.00 0.00 O ATOM 29 CB SER A 2 -23.816 -10.822 -13.656 1.00 0.00 C ATOM 30 OG SER A 2 -24.341 -12.139 -13.733 1.00 0.00 O ATOM 0 H SER A 2 -26.221 -10.415 -14.027 1.00 0.00 H new ATOM 0 HA SER A 2 -24.535 -10.320 -11.700 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.794 -10.376 -14.650 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.787 -10.857 -13.300 1.00 0.00 H new ATOM 0 HG SER A 2 -23.789 -12.676 -14.338 1.00 0.00 H new ATOM 36 N VAL A 3 -23.684 -8.000 -11.673 1.00 0.00 N ATOM 37 CA VAL A 3 -23.250 -6.614 -11.594 1.00 0.00 C ATOM 38 C VAL A 3 -21.768 -6.524 -11.255 1.00 0.00 C ATOM 39 O VAL A 3 -21.247 -7.327 -10.481 1.00 0.00 O ATOM 40 CB VAL A 3 -24.070 -5.813 -10.555 1.00 0.00 C ATOM 41 CG1 VAL A 3 -25.516 -5.679 -11.006 1.00 0.00 C ATOM 42 CG2 VAL A 3 -23.996 -6.463 -9.180 1.00 0.00 C ATOM 0 H VAL A 3 -23.559 -8.531 -10.811 1.00 0.00 H new ATOM 0 HA VAL A 3 -23.419 -6.174 -12.577 1.00 0.00 H new ATOM 0 HB VAL A 3 -23.637 -4.816 -10.479 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -26.078 -5.113 -10.263 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -25.552 -5.158 -11.963 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -25.956 -6.670 -11.116 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -24.581 -5.879 -8.470 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -24.396 -7.475 -9.234 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -22.958 -6.500 -8.851 1.00 0.00 H new ATOM 52 N GLN A 4 -21.093 -5.557 -11.850 1.00 0.00 N ATOM 53 CA GLN A 4 -19.681 -5.348 -11.591 1.00 0.00 C ATOM 54 C GLN A 4 -19.480 -4.098 -10.751 1.00 0.00 C ATOM 55 O GLN A 4 -20.052 -3.045 -11.036 1.00 0.00 O ATOM 56 CB GLN A 4 -18.893 -5.246 -12.899 1.00 0.00 C ATOM 57 CG GLN A 4 -18.879 -6.538 -13.699 1.00 0.00 C ATOM 58 CD GLN A 4 -17.986 -6.463 -14.922 1.00 0.00 C ATOM 59 OE1 GLN A 4 -16.793 -6.766 -14.852 1.00 0.00 O ATOM 60 NE2 GLN A 4 -18.553 -6.066 -16.050 1.00 0.00 N ATOM 0 H GLN A 4 -21.502 -4.903 -12.517 1.00 0.00 H new ATOM 0 HA GLN A 4 -19.305 -6.208 -11.037 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -19.322 -4.453 -13.512 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -17.867 -4.956 -12.674 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -18.542 -7.353 -13.058 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -19.895 -6.778 -14.011 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -19.544 -5.824 -16.065 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -17.999 -6.002 -16.904 1.00 0.00 H new ATOM 69 N GLU A 5 -18.656 -4.218 -9.723 1.00 0.00 N ATOM 70 CA GLU A 5 -18.411 -3.135 -8.781 1.00 0.00 C ATOM 71 C GLU A 5 -17.461 -2.085 -9.362 1.00 0.00 C ATOM 72 O GLU A 5 -16.827 -1.331 -8.630 1.00 0.00 O ATOM 73 CB GLU A 5 -17.844 -3.697 -7.474 1.00 0.00 C ATOM 74 CG GLU A 5 -18.767 -4.693 -6.782 1.00 0.00 C ATOM 75 CD GLU A 5 -18.514 -6.143 -7.170 1.00 0.00 C ATOM 76 OE1 GLU A 5 -18.234 -6.425 -8.354 1.00 0.00 O ATOM 77 OE2 GLU A 5 -18.590 -7.013 -6.277 1.00 0.00 O ATOM 0 H GLU A 5 -18.136 -5.071 -9.517 1.00 0.00 H new ATOM 0 HA GLU A 5 -19.363 -2.644 -8.581 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -16.891 -4.183 -7.681 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -17.639 -2.871 -6.793 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -18.652 -4.591 -5.703 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -19.801 -4.439 -7.018 1.00 0.00 H new ATOM 84 N LYS A 6 -17.387 -2.030 -10.684 1.00 0.00 N ATOM 85 CA LYS A 6 -16.558 -1.049 -11.369 1.00 0.00 C ATOM 86 C LYS A 6 -17.367 0.216 -11.640 1.00 0.00 C ATOM 87 O LYS A 6 -16.830 1.228 -12.091 1.00 0.00 O ATOM 88 CB LYS A 6 -16.046 -1.620 -12.695 1.00 0.00 C ATOM 89 CG LYS A 6 -15.364 -2.973 -12.565 1.00 0.00 C ATOM 90 CD LYS A 6 -14.921 -3.501 -13.921 1.00 0.00 C ATOM 91 CE LYS A 6 -14.377 -4.916 -13.823 1.00 0.00 C ATOM 92 NZ LYS A 6 -13.952 -5.440 -15.149 1.00 0.00 N ATOM 0 H LYS A 6 -17.895 -2.658 -11.307 1.00 0.00 H new ATOM 0 HA LYS A 6 -15.707 -0.807 -10.732 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -16.884 -1.712 -13.386 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -15.344 -0.912 -13.137 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -14.500 -2.885 -11.906 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -16.047 -3.684 -12.101 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -15.764 -3.482 -14.612 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -14.155 -2.845 -14.335 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.530 -4.933 -13.138 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -15.140 -5.570 -13.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.079 -5.995 -15.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -14.701 -6.047 -15.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.778 -4.645 -15.797 1.00 0.00 H new ATOM 106 N ARG A 7 -18.663 0.140 -11.360 1.00 0.00 N ATOM 107 CA ARG A 7 -19.586 1.231 -11.646 1.00 0.00 C ATOM 108 C ARG A 7 -19.421 2.380 -10.655 1.00 0.00 C ATOM 109 O ARG A 7 -19.037 3.488 -11.035 1.00 0.00 O ATOM 110 CB ARG A 7 -21.029 0.713 -11.631 1.00 0.00 C ATOM 111 CG ARG A 7 -22.077 1.805 -11.775 1.00 0.00 C ATOM 112 CD ARG A 7 -23.481 1.231 -11.909 1.00 0.00 C ATOM 113 NE ARG A 7 -23.823 0.320 -10.815 1.00 0.00 N ATOM 114 CZ ARG A 7 -24.849 0.506 -9.984 1.00 0.00 C ATOM 115 NH1 ARG A 7 -25.598 1.598 -10.084 1.00 0.00 N ATOM 116 NH2 ARG A 7 -25.116 -0.397 -9.046 1.00 0.00 N ATOM 0 H ARG A 7 -19.101 -0.675 -10.931 1.00 0.00 H new ATOM 0 HA ARG A 7 -19.354 1.618 -12.638 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -21.155 -0.007 -12.440 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -21.203 0.177 -10.698 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -22.036 2.464 -10.908 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -21.849 2.414 -12.650 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -24.202 2.048 -11.936 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -23.564 0.701 -12.858 1.00 0.00 H new ATOM 0 HE ARG A 7 -23.241 -0.507 -10.680 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -25.389 2.296 -10.797 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -26.382 1.738 -9.447 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -24.536 -1.232 -8.962 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -25.901 -0.255 -8.410 1.00 0.00 H new ATOM 130 N ASN A 8 -19.704 2.116 -9.387 1.00 0.00 N ATOM 131 CA ASN A 8 -19.623 3.149 -8.364 1.00 0.00 C ATOM 132 C ASN A 8 -18.199 3.250 -7.842 1.00 0.00 C ATOM 133 O ASN A 8 -17.441 2.280 -7.884 1.00 0.00 O ATOM 134 CB ASN A 8 -20.596 2.862 -7.210 1.00 0.00 C ATOM 135 CG ASN A 8 -20.126 1.742 -6.299 1.00 0.00 C ATOM 136 OD1 ASN A 8 -20.365 0.565 -6.567 1.00 0.00 O ATOM 137 ND2 ASN A 8 -19.481 2.106 -5.199 1.00 0.00 N ATOM 0 H ASN A 8 -19.991 1.199 -9.043 1.00 0.00 H new ATOM 0 HA ASN A 8 -19.907 4.100 -8.813 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -20.729 3.769 -6.621 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -21.572 2.603 -7.621 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -19.162 1.399 -4.537 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -19.303 3.093 -5.015 1.00 0.00 H new ATOM 144 N ASN A 9 -17.828 4.423 -7.366 1.00 0.00 N ATOM 145 CA ASN A 9 -16.487 4.630 -6.851 1.00 0.00 C ATOM 146 C ASN A 9 -16.496 4.721 -5.334 1.00 0.00 C ATOM 147 O ASN A 9 -16.801 5.770 -4.766 1.00 0.00 O ATOM 148 CB ASN A 9 -15.853 5.893 -7.444 1.00 0.00 C ATOM 149 CG ASN A 9 -15.677 5.828 -8.954 1.00 0.00 C ATOM 150 OD1 ASN A 9 -15.490 4.631 -9.490 1.00 0.00 O flip ATOM 151 ND2 ASN A 9 -15.706 6.855 -9.634 1.00 0.00 N flip ATOM 0 H ASN A 9 -18.432 5.244 -7.325 1.00 0.00 H new ATOM 0 HA ASN A 9 -15.888 3.769 -7.149 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -16.474 6.754 -7.195 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -14.881 6.055 -6.979 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -15.852 7.759 -9.186 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -15.584 6.801 -10.645 1.00 0.00 H new ATOM 158 N THR A 10 -16.207 3.606 -4.685 1.00 0.00 N ATOM 159 CA THR A 10 -16.026 3.588 -3.245 1.00 0.00 C ATOM 160 C THR A 10 -14.598 4.022 -2.915 1.00 0.00 C ATOM 161 O THR A 10 -13.657 3.641 -3.612 1.00 0.00 O ATOM 162 CB THR A 10 -16.291 2.179 -2.672 1.00 0.00 C ATOM 163 OG1 THR A 10 -17.576 1.710 -3.100 1.00 0.00 O ATOM 164 CG2 THR A 10 -16.243 2.185 -1.151 1.00 0.00 C ATOM 0 H THR A 10 -16.092 2.698 -5.136 1.00 0.00 H new ATOM 0 HA THR A 10 -16.739 4.277 -2.792 1.00 0.00 H new ATOM 0 HB THR A 10 -15.510 1.515 -3.043 1.00 0.00 H new ATOM 0 HG1 THR A 10 -17.736 0.815 -2.734 1.00 0.00 H new ATOM 0 HG21 THR A 10 -16.433 1.179 -0.777 1.00 0.00 H new ATOM 0 HG22 THR A 10 -15.259 2.515 -0.819 1.00 0.00 H new ATOM 0 HG23 THR A 10 -17.003 2.865 -0.766 1.00 0.00 H new ATOM 172 N ARG A 11 -14.431 4.813 -1.860 1.00 0.00 N ATOM 173 CA ARG A 11 -13.112 5.325 -1.501 1.00 0.00 C ATOM 174 C ARG A 11 -12.379 4.347 -0.594 1.00 0.00 C ATOM 175 O ARG A 11 -11.495 4.728 0.171 1.00 0.00 O ATOM 176 CB ARG A 11 -13.224 6.696 -0.833 1.00 0.00 C ATOM 177 CG ARG A 11 -13.811 7.758 -1.746 1.00 0.00 C ATOM 178 CD ARG A 11 -13.441 9.159 -1.292 1.00 0.00 C ATOM 179 NE ARG A 11 -13.896 9.453 0.064 1.00 0.00 N ATOM 180 CZ ARG A 11 -14.632 10.513 0.380 1.00 0.00 C ATOM 181 NH1 ARG A 11 -15.104 11.301 -0.577 1.00 0.00 N ATOM 182 NH2 ARG A 11 -14.923 10.760 1.650 1.00 0.00 N ATOM 0 H ARG A 11 -15.186 5.112 -1.242 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.535 5.438 -2.419 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -13.844 6.609 0.059 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.235 7.015 -0.504 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.455 7.600 -2.764 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -14.896 7.658 -1.769 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.359 9.278 -1.341 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.873 9.885 -1.981 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.634 8.809 0.810 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.902 11.093 -1.555 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -15.669 12.115 -0.335 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.582 10.137 2.382 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.488 11.573 1.895 1.00 0.00 H new ATOM 196 N ALA A 12 -12.745 3.080 -0.703 1.00 0.00 N ATOM 197 CA ALA A 12 -12.065 2.025 0.019 1.00 0.00 C ATOM 198 C ALA A 12 -10.659 1.855 -0.524 1.00 0.00 C ATOM 199 O ALA A 12 -10.431 1.980 -1.729 1.00 0.00 O ATOM 200 CB ALA A 12 -12.840 0.719 -0.082 1.00 0.00 C ATOM 0 H ALA A 12 -13.515 2.759 -1.290 1.00 0.00 H new ATOM 0 HA ALA A 12 -12.006 2.301 1.072 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.312 -0.061 0.467 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -13.835 0.852 0.343 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -12.929 0.429 -1.129 1.00 0.00 H new ATOM 206 N PHE A 13 -9.726 1.574 0.379 1.00 0.00 N ATOM 207 CA PHE A 13 -8.321 1.401 0.032 1.00 0.00 C ATOM 208 C PHE A 13 -8.163 0.429 -1.136 1.00 0.00 C ATOM 209 O PHE A 13 -7.297 0.608 -1.983 1.00 0.00 O ATOM 210 CB PHE A 13 -7.557 0.890 1.256 1.00 0.00 C ATOM 211 CG PHE A 13 -6.060 0.911 1.112 1.00 0.00 C ATOM 212 CD1 PHE A 13 -5.338 2.041 1.458 1.00 0.00 C ATOM 213 CD2 PHE A 13 -5.377 -0.203 0.652 1.00 0.00 C ATOM 214 CE1 PHE A 13 -3.961 2.062 1.346 1.00 0.00 C ATOM 215 CE2 PHE A 13 -4.001 -0.188 0.534 1.00 0.00 C ATOM 216 CZ PHE A 13 -3.291 0.945 0.883 1.00 0.00 C ATOM 0 H PHE A 13 -9.923 1.460 1.373 1.00 0.00 H new ATOM 0 HA PHE A 13 -7.913 2.363 -0.277 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.834 1.494 2.120 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -7.875 -0.131 1.466 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -5.857 2.916 1.820 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.927 -1.093 0.383 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.409 2.949 1.620 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.480 -1.061 0.169 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.215 0.958 0.794 1.00 0.00 H new ATOM 226 N LYS A 14 -9.026 -0.582 -1.178 1.00 0.00 N ATOM 227 CA LYS A 14 -8.991 -1.595 -2.231 1.00 0.00 C ATOM 228 C LYS A 14 -9.213 -0.970 -3.606 1.00 0.00 C ATOM 229 O LYS A 14 -8.356 -1.054 -4.489 1.00 0.00 O ATOM 230 CB LYS A 14 -10.068 -2.654 -1.982 1.00 0.00 C ATOM 231 CG LYS A 14 -10.009 -3.278 -0.602 1.00 0.00 C ATOM 232 CD LYS A 14 -11.033 -4.393 -0.459 1.00 0.00 C ATOM 233 CE LYS A 14 -10.830 -5.179 0.826 1.00 0.00 C ATOM 234 NZ LYS A 14 -11.836 -6.260 0.987 1.00 0.00 N ATOM 0 H LYS A 14 -9.765 -0.723 -0.489 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.005 -2.059 -2.211 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.049 -2.200 -2.123 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -9.970 -3.441 -2.730 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.009 -3.673 -0.421 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.191 -2.514 0.154 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.037 -3.969 -0.472 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.960 -5.066 -1.313 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.830 -5.612 0.831 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.888 -4.501 1.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.659 -6.769 1.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.790 -5.846 1.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.764 -6.923 0.189 1.00 0.00 H new ATOM 248 N THR A 15 -10.371 -0.343 -3.774 1.00 0.00 N ATOM 249 CA THR A 15 -10.769 0.232 -5.048 1.00 0.00 C ATOM 250 C THR A 15 -9.801 1.327 -5.491 1.00 0.00 C ATOM 251 O THR A 15 -9.419 1.405 -6.661 1.00 0.00 O ATOM 252 CB THR A 15 -12.190 0.818 -4.944 1.00 0.00 C ATOM 253 OG1 THR A 15 -13.041 -0.107 -4.255 1.00 0.00 O ATOM 254 CG2 THR A 15 -12.765 1.111 -6.323 1.00 0.00 C ATOM 0 H THR A 15 -11.058 -0.220 -3.030 1.00 0.00 H new ATOM 0 HA THR A 15 -10.752 -0.565 -5.791 1.00 0.00 H new ATOM 0 HB THR A 15 -12.135 1.755 -4.390 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.944 0.267 -4.188 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.768 1.524 -6.219 1.00 0.00 H new ATOM 0 HG22 THR A 15 -12.128 1.831 -6.837 1.00 0.00 H new ATOM 0 HG23 THR A 15 -12.810 0.188 -6.902 1.00 0.00 H new ATOM 262 N VAL A 16 -9.389 2.152 -4.543 1.00 0.00 N ATOM 263 CA VAL A 16 -8.516 3.275 -4.839 1.00 0.00 C ATOM 264 C VAL A 16 -7.104 2.811 -5.181 1.00 0.00 C ATOM 265 O VAL A 16 -6.468 3.358 -6.086 1.00 0.00 O ATOM 266 CB VAL A 16 -8.479 4.267 -3.664 1.00 0.00 C ATOM 267 CG1 VAL A 16 -7.518 5.413 -3.948 1.00 0.00 C ATOM 268 CG2 VAL A 16 -9.882 4.789 -3.399 1.00 0.00 C ATOM 0 H VAL A 16 -9.646 2.065 -3.560 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.926 3.783 -5.712 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.117 3.750 -2.775 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.511 6.100 -3.102 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.514 5.017 -4.102 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.840 5.944 -4.844 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.857 5.492 -2.566 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.257 5.294 -4.289 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.539 3.956 -3.151 1.00 0.00 H new ATOM 278 N ALA A 17 -6.620 1.794 -4.477 1.00 0.00 N ATOM 279 CA ALA A 17 -5.311 1.223 -4.775 1.00 0.00 C ATOM 280 C ALA A 17 -5.272 0.679 -6.195 1.00 0.00 C ATOM 281 O ALA A 17 -4.240 0.732 -6.860 1.00 0.00 O ATOM 282 CB ALA A 17 -4.951 0.129 -3.781 1.00 0.00 C ATOM 0 H ALA A 17 -7.110 1.350 -3.701 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.573 2.020 -4.687 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.971 -0.278 -4.028 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.928 0.546 -2.774 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.696 -0.665 -3.828 1.00 0.00 H new ATOM 288 N LYS A 18 -6.405 0.170 -6.668 1.00 0.00 N ATOM 289 CA LYS A 18 -6.483 -0.347 -8.025 1.00 0.00 C ATOM 290 C LYS A 18 -6.426 0.799 -9.030 1.00 0.00 C ATOM 291 O LYS A 18 -5.836 0.669 -10.103 1.00 0.00 O ATOM 292 CB LYS A 18 -7.756 -1.169 -8.233 1.00 0.00 C ATOM 293 CG LYS A 18 -7.638 -2.151 -9.388 1.00 0.00 C ATOM 294 CD LYS A 18 -8.929 -2.912 -9.637 1.00 0.00 C ATOM 295 CE LYS A 18 -8.699 -4.103 -10.559 1.00 0.00 C ATOM 296 NZ LYS A 18 -8.032 -3.712 -11.832 1.00 0.00 N ATOM 0 H LYS A 18 -7.273 0.106 -6.136 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.628 -1.004 -8.184 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.984 -1.716 -7.318 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.593 -0.495 -8.418 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.358 -1.611 -10.293 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.837 -2.860 -9.178 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.339 -3.258 -8.688 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.668 -2.244 -10.079 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.089 -4.845 -10.045 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.655 -4.576 -10.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.049 -4.514 -12.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.535 -2.905 -12.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.046 -3.443 -11.639 1.00 0.00 H new ATOM 310 N SER A 19 -7.038 1.923 -8.670 1.00 0.00 N ATOM 311 CA SER A 19 -6.971 3.125 -9.491 1.00 0.00 C ATOM 312 C SER A 19 -5.536 3.639 -9.530 1.00 0.00 C ATOM 313 O SER A 19 -5.033 4.037 -10.581 1.00 0.00 O ATOM 314 CB SER A 19 -7.911 4.205 -8.941 1.00 0.00 C ATOM 315 OG SER A 19 -7.907 5.363 -9.763 1.00 0.00 O ATOM 0 H SER A 19 -7.585 2.026 -7.815 1.00 0.00 H new ATOM 0 HA SER A 19 -7.290 2.880 -10.504 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.924 3.808 -8.874 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.606 4.474 -7.930 1.00 0.00 H new ATOM 0 HG SER A 19 -7.387 6.071 -9.329 1.00 0.00 H new ATOM 321 N TRP A 20 -4.885 3.610 -8.376 1.00 0.00 N ATOM 322 CA TRP A 20 -3.478 3.972 -8.264 1.00 0.00 C ATOM 323 C TRP A 20 -2.628 3.065 -9.151 1.00 0.00 C ATOM 324 O TRP A 20 -1.774 3.535 -9.900 1.00 0.00 O ATOM 325 CB TRP A 20 -3.042 3.865 -6.798 1.00 0.00 C ATOM 326 CG TRP A 20 -1.575 4.075 -6.567 1.00 0.00 C ATOM 327 CD1 TRP A 20 -0.913 5.267 -6.498 1.00 0.00 C ATOM 328 CD2 TRP A 20 -0.590 3.057 -6.355 1.00 0.00 C ATOM 329 NE1 TRP A 20 0.422 5.051 -6.259 1.00 0.00 N ATOM 330 CE2 TRP A 20 0.645 3.702 -6.167 1.00 0.00 C ATOM 331 CE3 TRP A 20 -0.637 1.660 -6.305 1.00 0.00 C ATOM 332 CZ2 TRP A 20 1.824 2.996 -5.934 1.00 0.00 C ATOM 333 CZ3 TRP A 20 0.534 0.962 -6.075 1.00 0.00 C ATOM 334 CH2 TRP A 20 1.749 1.631 -5.891 1.00 0.00 C ATOM 0 H TRP A 20 -5.315 3.336 -7.493 1.00 0.00 H new ATOM 0 HA TRP A 20 -3.338 4.999 -8.600 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -3.597 4.598 -6.213 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.319 2.880 -6.421 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -1.372 6.238 -6.614 1.00 0.00 H new ATOM 0 HE1 TRP A 20 1.132 5.777 -6.165 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -1.571 1.136 -6.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 2.764 3.509 -5.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 0.511 -0.117 -6.037 1.00 0.00 H new ATOM 0 HH2 TRP A 20 2.646 1.058 -5.711 1.00 0.00 H new ATOM 345 N PHE A 21 -2.896 1.768 -9.070 1.00 0.00 N ATOM 346 CA PHE A 21 -2.187 0.767 -9.861 1.00 0.00 C ATOM 347 C PHE A 21 -2.371 1.003 -11.361 1.00 0.00 C ATOM 348 O PHE A 21 -1.447 0.800 -12.149 1.00 0.00 O ATOM 349 CB PHE A 21 -2.689 -0.630 -9.476 1.00 0.00 C ATOM 350 CG PHE A 21 -2.087 -1.752 -10.274 1.00 0.00 C ATOM 351 CD1 PHE A 21 -0.807 -2.204 -10.003 1.00 0.00 C ATOM 352 CD2 PHE A 21 -2.806 -2.359 -11.292 1.00 0.00 C ATOM 353 CE1 PHE A 21 -0.257 -3.240 -10.732 1.00 0.00 C ATOM 354 CE2 PHE A 21 -2.260 -3.393 -12.025 1.00 0.00 C ATOM 355 CZ PHE A 21 -0.984 -3.834 -11.744 1.00 0.00 C ATOM 0 H PHE A 21 -3.611 1.379 -8.455 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.121 0.848 -9.647 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.479 -0.799 -8.420 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.772 -0.658 -9.594 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.233 -1.742 -9.214 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -3.806 -2.018 -11.514 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.742 -3.585 -10.510 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -2.831 -3.856 -12.817 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.554 -4.643 -12.315 1.00 0.00 H new ATOM 365 N ALA A 22 -3.566 1.430 -11.749 1.00 0.00 N ATOM 366 CA ALA A 22 -3.877 1.660 -13.154 1.00 0.00 C ATOM 367 C ALA A 22 -3.300 2.986 -13.645 1.00 0.00 C ATOM 368 O ALA A 22 -2.897 3.106 -14.801 1.00 0.00 O ATOM 369 CB ALA A 22 -5.383 1.623 -13.373 1.00 0.00 C ATOM 0 H ALA A 22 -4.337 1.624 -11.110 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.414 0.862 -13.734 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.602 1.796 -14.427 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.770 0.648 -13.078 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.857 2.399 -12.772 1.00 0.00 H new ATOM 375 N THR A 23 -3.257 3.974 -12.764 1.00 0.00 N ATOM 376 CA THR A 23 -2.770 5.297 -13.124 1.00 0.00 C ATOM 377 C THR A 23 -1.241 5.340 -13.114 1.00 0.00 C ATOM 378 O THR A 23 -0.619 6.009 -13.945 1.00 0.00 O ATOM 379 CB THR A 23 -3.328 6.366 -12.161 1.00 0.00 C ATOM 380 OG1 THR A 23 -4.754 6.232 -12.059 1.00 0.00 O ATOM 381 CG2 THR A 23 -2.988 7.770 -12.640 1.00 0.00 C ATOM 0 H THR A 23 -3.554 3.884 -11.792 1.00 0.00 H new ATOM 0 HA THR A 23 -3.119 5.514 -14.134 1.00 0.00 H new ATOM 0 HB THR A 23 -2.869 6.212 -11.184 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.971 5.551 -11.389 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.394 8.501 -11.941 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.905 7.883 -12.695 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.420 7.932 -13.627 1.00 0.00 H new ATOM 389 N LYS A 24 -0.642 4.615 -12.180 1.00 0.00 N ATOM 390 CA LYS A 24 0.804 4.579 -12.058 1.00 0.00 C ATOM 391 C LYS A 24 1.388 3.518 -12.977 1.00 0.00 C ATOM 392 O LYS A 24 1.135 2.326 -12.814 1.00 0.00 O ATOM 393 CB LYS A 24 1.216 4.309 -10.612 1.00 0.00 C ATOM 394 CG LYS A 24 2.718 4.345 -10.386 1.00 0.00 C ATOM 395 CD LYS A 24 3.050 4.157 -8.919 1.00 0.00 C ATOM 396 CE LYS A 24 4.539 4.288 -8.643 1.00 0.00 C ATOM 397 NZ LYS A 24 5.070 5.607 -9.075 1.00 0.00 N ATOM 0 H LYS A 24 -1.138 4.044 -11.496 1.00 0.00 H new ATOM 0 HA LYS A 24 1.196 5.552 -12.354 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.743 5.048 -9.965 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.836 3.332 -10.312 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.197 3.562 -10.974 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.119 5.297 -10.735 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.507 4.895 -8.328 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.708 3.174 -8.594 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.724 4.154 -7.577 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.075 3.493 -9.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.901 5.852 -8.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.344 5.560 -10.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.337 6.334 -8.950 1.00 0.00 H new ATOM 411 N THR A 25 2.174 3.967 -13.935 1.00 0.00 N ATOM 412 CA THR A 25 2.773 3.084 -14.917 1.00 0.00 C ATOM 413 C THR A 25 4.275 3.330 -15.015 1.00 0.00 C ATOM 414 O THR A 25 4.889 3.114 -16.059 1.00 0.00 O ATOM 415 CB THR A 25 2.122 3.283 -16.300 1.00 0.00 C ATOM 416 OG1 THR A 25 1.994 4.684 -16.585 1.00 0.00 O ATOM 417 CG2 THR A 25 0.755 2.617 -16.361 1.00 0.00 C ATOM 0 H THR A 25 2.415 4.951 -14.055 1.00 0.00 H new ATOM 0 HA THR A 25 2.602 2.057 -14.593 1.00 0.00 H new ATOM 0 HB THR A 25 2.764 2.818 -17.048 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.581 4.802 -17.466 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.318 2.773 -17.347 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.862 1.548 -16.176 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.104 3.052 -15.603 1.00 0.00 H new ATOM 425 N THR A 26 4.866 3.769 -13.910 1.00 0.00 N ATOM 426 CA THR A 26 6.292 4.058 -13.866 1.00 0.00 C ATOM 427 C THR A 26 7.107 2.793 -13.596 1.00 0.00 C ATOM 428 O THR A 26 8.334 2.836 -13.502 1.00 0.00 O ATOM 429 CB THR A 26 6.606 5.114 -12.792 1.00 0.00 C ATOM 430 OG1 THR A 26 6.000 4.738 -11.547 1.00 0.00 O ATOM 431 CG2 THR A 26 6.104 6.485 -13.214 1.00 0.00 C ATOM 0 H THR A 26 4.377 3.933 -13.030 1.00 0.00 H new ATOM 0 HA THR A 26 6.573 4.451 -14.843 1.00 0.00 H new ATOM 0 HB THR A 26 7.688 5.166 -12.670 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.699 4.552 -10.886 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.338 7.213 -12.438 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.588 6.779 -14.145 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.025 6.448 -13.362 1.00 0.00 H new ATOM 439 N TRP A 27 6.413 1.673 -13.461 1.00 0.00 N ATOM 440 CA TRP A 27 7.060 0.382 -13.284 1.00 0.00 C ATOM 441 C TRP A 27 6.715 -0.538 -14.442 1.00 0.00 C ATOM 442 O TRP A 27 5.732 -0.310 -15.150 1.00 0.00 O ATOM 443 CB TRP A 27 6.628 -0.281 -11.972 1.00 0.00 C ATOM 444 CG TRP A 27 7.216 0.340 -10.744 1.00 0.00 C ATOM 445 CD1 TRP A 27 8.489 0.799 -10.592 1.00 0.00 C ATOM 446 CD2 TRP A 27 6.564 0.535 -9.481 1.00 0.00 C ATOM 447 NE1 TRP A 27 8.668 1.286 -9.321 1.00 0.00 N ATOM 448 CE2 TRP A 27 7.503 1.132 -8.618 1.00 0.00 C ATOM 449 CE3 TRP A 27 5.279 0.269 -8.999 1.00 0.00 C ATOM 450 CZ2 TRP A 27 7.196 1.467 -7.301 1.00 0.00 C ATOM 451 CZ3 TRP A 27 4.977 0.599 -7.691 1.00 0.00 C ATOM 452 CH2 TRP A 27 5.933 1.193 -6.855 1.00 0.00 C ATOM 0 H TRP A 27 5.394 1.633 -13.471 1.00 0.00 H new ATOM 0 HA TRP A 27 8.136 0.553 -13.253 1.00 0.00 H new ATOM 0 HB2 TRP A 27 5.541 -0.242 -11.900 1.00 0.00 H new ATOM 0 HB3 TRP A 27 6.908 -1.334 -12.002 1.00 0.00 H new ATOM 0 HD1 TRP A 27 9.248 0.782 -11.360 1.00 0.00 H new ATOM 0 HE1 TRP A 27 9.529 1.696 -8.959 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.536 -0.186 -9.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 7.930 1.927 -6.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.988 0.396 -7.307 1.00 0.00 H new ATOM 0 HH2 TRP A 27 5.666 1.439 -5.838 1.00 0.00 H new ATOM 463 N SER A 28 7.523 -1.567 -14.637 1.00 0.00 N ATOM 464 CA SER A 28 7.212 -2.603 -15.601 1.00 0.00 C ATOM 465 C SER A 28 6.003 -3.393 -15.111 1.00 0.00 C ATOM 466 O SER A 28 5.845 -3.601 -13.906 1.00 0.00 O ATOM 467 CB SER A 28 8.429 -3.509 -15.800 1.00 0.00 C ATOM 468 OG SER A 28 9.057 -3.798 -14.559 1.00 0.00 O ATOM 0 H SER A 28 8.401 -1.705 -14.137 1.00 0.00 H new ATOM 0 HA SER A 28 6.967 -2.158 -16.566 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.121 -4.438 -16.281 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.141 -3.025 -16.468 1.00 0.00 H new ATOM 0 HG SER A 28 9.831 -4.380 -14.712 1.00 0.00 H new ATOM 474 N GLU A 29 5.148 -3.820 -16.032 1.00 0.00 N ATOM 475 CA GLU A 29 3.882 -4.441 -15.660 1.00 0.00 C ATOM 476 C GLU A 29 4.095 -5.746 -14.891 1.00 0.00 C ATOM 477 O GLU A 29 3.293 -6.097 -14.024 1.00 0.00 O ATOM 478 CB GLU A 29 3.013 -4.688 -16.894 1.00 0.00 C ATOM 479 CG GLU A 29 1.608 -5.139 -16.544 1.00 0.00 C ATOM 480 CD GLU A 29 0.706 -5.255 -17.750 1.00 0.00 C ATOM 481 OE1 GLU A 29 0.713 -6.318 -18.401 1.00 0.00 O ATOM 482 OE2 GLU A 29 -0.034 -4.298 -18.036 1.00 0.00 O ATOM 0 H GLU A 29 5.306 -3.749 -17.037 1.00 0.00 H new ATOM 0 HA GLU A 29 3.364 -3.746 -15.000 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.959 -3.773 -17.484 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.487 -5.444 -17.521 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.657 -6.104 -16.040 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.171 -4.433 -15.838 1.00 0.00 H new ATOM 489 N ASP A 30 5.174 -6.457 -15.199 1.00 0.00 N ATOM 490 CA ASP A 30 5.510 -7.674 -14.466 1.00 0.00 C ATOM 491 C ASP A 30 5.819 -7.351 -13.011 1.00 0.00 C ATOM 492 O ASP A 30 5.326 -8.014 -12.095 1.00 0.00 O ATOM 493 CB ASP A 30 6.699 -8.395 -15.099 1.00 0.00 C ATOM 494 CG ASP A 30 7.103 -9.621 -14.305 1.00 0.00 C ATOM 495 OD1 ASP A 30 6.386 -10.641 -14.373 1.00 0.00 O ATOM 496 OD2 ASP A 30 8.138 -9.571 -13.605 1.00 0.00 O ATOM 0 H ASP A 30 5.827 -6.215 -15.945 1.00 0.00 H new ATOM 0 HA ASP A 30 4.645 -8.335 -14.512 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.445 -8.689 -16.117 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.545 -7.711 -15.166 1.00 0.00 H new ATOM 501 N TYR A 31 6.624 -6.316 -12.798 1.00 0.00 N ATOM 502 CA TYR A 31 6.950 -5.881 -11.450 1.00 0.00 C ATOM 503 C TYR A 31 5.693 -5.373 -10.760 1.00 0.00 C ATOM 504 O TYR A 31 5.454 -5.663 -9.588 1.00 0.00 O ATOM 505 CB TYR A 31 8.022 -4.791 -11.468 1.00 0.00 C ATOM 506 CG TYR A 31 8.560 -4.454 -10.096 1.00 0.00 C ATOM 507 CD1 TYR A 31 9.185 -5.425 -9.324 1.00 0.00 C ATOM 508 CD2 TYR A 31 8.442 -3.173 -9.571 1.00 0.00 C ATOM 509 CE1 TYR A 31 9.681 -5.131 -8.071 1.00 0.00 C ATOM 510 CE2 TYR A 31 8.940 -2.869 -8.317 1.00 0.00 C ATOM 511 CZ TYR A 31 9.558 -3.854 -7.571 1.00 0.00 C ATOM 512 OH TYR A 31 10.065 -3.562 -6.326 1.00 0.00 O ATOM 0 H TYR A 31 7.060 -5.767 -13.539 1.00 0.00 H new ATOM 0 HA TYR A 31 7.348 -6.732 -10.897 1.00 0.00 H new ATOM 0 HB2 TYR A 31 8.846 -5.113 -12.104 1.00 0.00 H new ATOM 0 HB3 TYR A 31 7.606 -3.890 -11.918 1.00 0.00 H new ATOM 0 HD1 TYR A 31 9.284 -6.428 -9.712 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.954 -2.403 -10.151 1.00 0.00 H new ATOM 0 HE1 TYR A 31 10.164 -5.899 -7.485 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.846 -1.868 -7.923 1.00 0.00 H new ATOM 0 HH TYR A 31 9.899 -2.619 -6.118 1.00 0.00 H new ATOM 522 N GLN A 32 4.875 -4.637 -11.505 1.00 0.00 N ATOM 523 CA GLN A 32 3.603 -4.153 -10.990 1.00 0.00 C ATOM 524 C GLN A 32 2.728 -5.313 -10.540 1.00 0.00 C ATOM 525 O GLN A 32 2.012 -5.206 -9.550 1.00 0.00 O ATOM 526 CB GLN A 32 2.867 -3.329 -12.041 1.00 0.00 C ATOM 527 CG GLN A 32 3.517 -1.993 -12.331 1.00 0.00 C ATOM 528 CD GLN A 32 2.627 -1.091 -13.156 1.00 0.00 C ATOM 529 OE1 GLN A 32 2.688 -1.086 -14.386 1.00 0.00 O ATOM 530 NE2 GLN A 32 1.776 -0.340 -12.477 1.00 0.00 N ATOM 0 H GLN A 32 5.072 -4.363 -12.468 1.00 0.00 H new ATOM 0 HA GLN A 32 3.814 -3.516 -10.131 1.00 0.00 H new ATOM 0 HB2 GLN A 32 2.809 -3.903 -12.966 1.00 0.00 H new ATOM 0 HB3 GLN A 32 1.843 -3.160 -11.706 1.00 0.00 H new ATOM 0 HG2 GLN A 32 3.761 -1.498 -11.391 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.457 -2.155 -12.859 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.763 -0.378 -11.458 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.133 0.278 -12.973 1.00 0.00 H new ATOM 539 N ARG A 33 2.801 -6.419 -11.267 1.00 0.00 N ATOM 540 CA ARG A 33 2.056 -7.621 -10.914 1.00 0.00 C ATOM 541 C ARG A 33 2.449 -8.113 -9.523 1.00 0.00 C ATOM 542 O ARG A 33 1.585 -8.408 -8.694 1.00 0.00 O ATOM 543 CB ARG A 33 2.292 -8.720 -11.953 1.00 0.00 C ATOM 544 CG ARG A 33 1.616 -10.038 -11.616 1.00 0.00 C ATOM 545 CD ARG A 33 1.815 -11.064 -12.718 1.00 0.00 C ATOM 546 NE ARG A 33 3.229 -11.326 -12.983 1.00 0.00 N ATOM 547 CZ ARG A 33 3.773 -12.542 -12.968 1.00 0.00 C ATOM 548 NH1 ARG A 33 3.027 -13.601 -12.666 1.00 0.00 N ATOM 549 NH2 ARG A 33 5.059 -12.696 -13.255 1.00 0.00 N ATOM 0 H ARG A 33 3.371 -6.510 -12.108 1.00 0.00 H new ATOM 0 HA ARG A 33 0.995 -7.373 -10.903 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.931 -8.375 -12.922 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.364 -8.888 -12.054 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.018 -10.425 -10.680 1.00 0.00 H new ATOM 0 HG3 ARG A 33 0.550 -9.872 -11.460 1.00 0.00 H new ATOM 0 HD2 ARG A 33 1.321 -11.995 -12.438 1.00 0.00 H new ATOM 0 HD3 ARG A 33 1.336 -10.711 -13.631 1.00 0.00 H new ATOM 0 HE ARG A 33 3.834 -10.532 -13.191 1.00 0.00 H new ATOM 0 HH11 ARG A 33 2.038 -13.482 -12.446 1.00 0.00 H new ATOM 0 HH12 ARG A 33 3.444 -14.532 -12.655 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.631 -11.884 -13.487 1.00 0.00 H new ATOM 0 HH22 ARG A 33 5.476 -13.627 -13.244 1.00 0.00 H new ATOM 563 N SER A 34 3.751 -8.191 -9.262 1.00 0.00 N ATOM 564 CA SER A 34 4.223 -8.628 -7.955 1.00 0.00 C ATOM 565 C SER A 34 3.848 -7.605 -6.880 1.00 0.00 C ATOM 566 O SER A 34 3.458 -7.975 -5.772 1.00 0.00 O ATOM 567 CB SER A 34 5.736 -8.886 -7.971 1.00 0.00 C ATOM 568 OG SER A 34 6.471 -7.721 -8.302 1.00 0.00 O ATOM 0 H SER A 34 4.488 -7.961 -9.929 1.00 0.00 H new ATOM 0 HA SER A 34 3.732 -9.571 -7.713 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.052 -9.248 -6.993 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.962 -9.673 -8.690 1.00 0.00 H new ATOM 0 HG SER A 34 5.878 -7.072 -8.736 1.00 0.00 H new ATOM 574 N VAL A 35 3.937 -6.317 -7.220 1.00 0.00 N ATOM 575 CA VAL A 35 3.535 -5.249 -6.306 1.00 0.00 C ATOM 576 C VAL A 35 2.051 -5.365 -5.972 1.00 0.00 C ATOM 577 O VAL A 35 1.654 -5.289 -4.808 1.00 0.00 O ATOM 578 CB VAL A 35 3.820 -3.847 -6.904 1.00 0.00 C ATOM 579 CG1 VAL A 35 3.299 -2.749 -5.988 1.00 0.00 C ATOM 580 CG2 VAL A 35 5.310 -3.667 -7.151 1.00 0.00 C ATOM 0 H VAL A 35 4.284 -5.990 -8.122 1.00 0.00 H new ATOM 0 HA VAL A 35 4.125 -5.361 -5.397 1.00 0.00 H new ATOM 0 HB VAL A 35 3.296 -3.773 -7.857 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.511 -1.775 -6.430 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.223 -2.862 -5.860 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.790 -2.822 -5.017 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.492 -2.678 -7.571 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.850 -3.767 -6.209 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.657 -4.428 -7.850 1.00 0.00 H new ATOM 590 N TRP A 36 1.246 -5.570 -7.005 1.00 0.00 N ATOM 591 CA TRP A 36 -0.193 -5.720 -6.856 1.00 0.00 C ATOM 592 C TRP A 36 -0.514 -6.917 -5.965 1.00 0.00 C ATOM 593 O TRP A 36 -1.353 -6.831 -5.068 1.00 0.00 O ATOM 594 CB TRP A 36 -0.835 -5.888 -8.237 1.00 0.00 C ATOM 595 CG TRP A 36 -2.329 -5.886 -8.215 1.00 0.00 C ATOM 596 CD1 TRP A 36 -3.157 -6.860 -8.692 1.00 0.00 C ATOM 597 CD2 TRP A 36 -3.177 -4.857 -7.695 1.00 0.00 C ATOM 598 NE1 TRP A 36 -4.466 -6.498 -8.502 1.00 0.00 N ATOM 599 CE2 TRP A 36 -4.504 -5.277 -7.886 1.00 0.00 C ATOM 600 CE3 TRP A 36 -2.940 -3.625 -7.080 1.00 0.00 C ATOM 601 CZ2 TRP A 36 -5.591 -4.507 -7.491 1.00 0.00 C ATOM 602 CZ3 TRP A 36 -4.021 -2.862 -6.686 1.00 0.00 C ATOM 603 CH2 TRP A 36 -5.331 -3.308 -6.892 1.00 0.00 C ATOM 0 H TRP A 36 1.573 -5.637 -7.969 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.600 -4.827 -6.382 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.490 -5.084 -8.887 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.489 -6.824 -8.676 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -2.830 -7.781 -9.152 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -5.279 -7.050 -8.776 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.931 -3.276 -6.916 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.604 -4.844 -7.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.853 -1.906 -6.212 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.156 -2.690 -6.570 1.00 0.00 H new ATOM 614 N THR A 37 0.186 -8.020 -6.201 1.00 0.00 N ATOM 615 CA THR A 37 0.015 -9.228 -5.405 1.00 0.00 C ATOM 616 C THR A 37 0.358 -8.963 -3.935 1.00 0.00 C ATOM 617 O THR A 37 -0.328 -9.444 -3.030 1.00 0.00 O ATOM 618 CB THR A 37 0.896 -10.371 -5.949 1.00 0.00 C ATOM 619 OG1 THR A 37 0.612 -10.582 -7.341 1.00 0.00 O ATOM 620 CG2 THR A 37 0.661 -11.664 -5.181 1.00 0.00 C ATOM 0 H THR A 37 0.882 -8.102 -6.942 1.00 0.00 H new ATOM 0 HA THR A 37 -1.031 -9.527 -5.474 1.00 0.00 H new ATOM 0 HB THR A 37 1.940 -10.083 -5.823 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.987 -9.845 -7.867 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.297 -12.450 -5.589 1.00 0.00 H new ATOM 0 HG22 THR A 37 0.902 -11.511 -4.129 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.384 -11.958 -5.275 1.00 0.00 H new ATOM 628 N ARG A 38 1.410 -8.181 -3.709 1.00 0.00 N ATOM 629 CA ARG A 38 1.819 -7.815 -2.357 1.00 0.00 C ATOM 630 C ARG A 38 0.731 -6.990 -1.677 1.00 0.00 C ATOM 631 O ARG A 38 0.427 -7.192 -0.501 1.00 0.00 O ATOM 632 CB ARG A 38 3.144 -7.042 -2.387 1.00 0.00 C ATOM 633 CG ARG A 38 4.319 -7.885 -2.858 1.00 0.00 C ATOM 634 CD ARG A 38 5.577 -7.053 -3.072 1.00 0.00 C ATOM 635 NE ARG A 38 6.695 -7.882 -3.531 1.00 0.00 N ATOM 636 CZ ARG A 38 7.867 -7.407 -3.963 1.00 0.00 C ATOM 637 NH1 ARG A 38 8.098 -6.102 -4.012 1.00 0.00 N ATOM 638 NH2 ARG A 38 8.816 -8.247 -4.353 1.00 0.00 N ATOM 0 H ARG A 38 1.995 -7.788 -4.446 1.00 0.00 H new ATOM 0 HA ARG A 38 1.969 -8.728 -1.781 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.039 -6.178 -3.044 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.357 -6.659 -1.389 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.522 -8.664 -2.124 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.054 -8.386 -3.789 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.377 -6.271 -3.804 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.849 -6.556 -2.141 1.00 0.00 H new ATOM 0 HE ARG A 38 6.570 -8.894 -3.520 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.376 -5.445 -3.717 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.998 -5.756 -4.344 1.00 0.00 H new ATOM 0 HH21 ARG A 38 8.651 -9.253 -4.323 1.00 0.00 H new ATOM 0 HH22 ARG A 38 9.711 -7.887 -4.683 1.00 0.00 H new ATOM 652 N LEU A 39 0.130 -6.081 -2.433 1.00 0.00 N ATOM 653 CA LEU A 39 -0.948 -5.249 -1.915 1.00 0.00 C ATOM 654 C LEU A 39 -2.164 -6.096 -1.547 1.00 0.00 C ATOM 655 O LEU A 39 -2.663 -6.015 -0.421 1.00 0.00 O ATOM 656 CB LEU A 39 -1.341 -4.179 -2.940 1.00 0.00 C ATOM 657 CG LEU A 39 -0.242 -3.171 -3.285 1.00 0.00 C ATOM 658 CD1 LEU A 39 -0.733 -2.185 -4.333 1.00 0.00 C ATOM 659 CD2 LEU A 39 0.218 -2.434 -2.034 1.00 0.00 C ATOM 0 H LEU A 39 0.371 -5.901 -3.408 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.587 -4.756 -1.012 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.657 -4.676 -3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.205 -3.634 -2.559 1.00 0.00 H new ATOM 0 HG LEU A 39 0.608 -3.716 -3.696 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.061 -1.476 -4.566 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.014 -2.725 -5.237 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.599 -1.646 -3.948 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.999 -1.722 -2.298 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.625 -1.901 -1.595 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.610 -3.151 -1.313 1.00 0.00 H new ATOM 671 N GLU A 40 -2.621 -6.921 -2.490 1.00 0.00 N ATOM 672 CA GLU A 40 -3.796 -7.771 -2.276 1.00 0.00 C ATOM 673 C GLU A 40 -3.602 -8.704 -1.083 1.00 0.00 C ATOM 674 O GLU A 40 -4.522 -8.918 -0.294 1.00 0.00 O ATOM 675 CB GLU A 40 -4.101 -8.613 -3.520 1.00 0.00 C ATOM 676 CG GLU A 40 -4.519 -7.809 -4.741 1.00 0.00 C ATOM 677 CD GLU A 40 -4.893 -8.699 -5.913 1.00 0.00 C ATOM 678 OE1 GLU A 40 -3.983 -9.294 -6.526 1.00 0.00 O ATOM 679 OE2 GLU A 40 -6.103 -8.831 -6.213 1.00 0.00 O ATOM 0 H GLU A 40 -2.195 -7.020 -3.412 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.634 -7.104 -2.074 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.217 -9.199 -3.772 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.894 -9.321 -3.278 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.367 -7.175 -4.483 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.704 -7.147 -5.035 1.00 0.00 H new ATOM 686 N THR A 41 -2.404 -9.251 -0.957 1.00 0.00 N ATOM 687 CA THR A 41 -2.127 -10.241 0.070 1.00 0.00 C ATOM 688 C THR A 41 -2.002 -9.617 1.462 1.00 0.00 C ATOM 689 O THR A 41 -2.639 -10.075 2.406 1.00 0.00 O ATOM 690 CB THR A 41 -0.843 -11.032 -0.258 1.00 0.00 C ATOM 691 OG1 THR A 41 -0.964 -11.641 -1.552 1.00 0.00 O ATOM 692 CG2 THR A 41 -0.580 -12.110 0.785 1.00 0.00 C ATOM 0 H THR A 41 -1.608 -9.026 -1.553 1.00 0.00 H new ATOM 0 HA THR A 41 -2.979 -10.920 0.082 1.00 0.00 H new ATOM 0 HB THR A 41 -0.006 -10.334 -0.253 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.674 -11.007 -2.240 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.331 -12.651 0.528 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.463 -11.647 1.765 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.420 -12.805 0.810 1.00 0.00 H new ATOM 700 N TYR A 42 -1.203 -8.567 1.589 1.00 0.00 N ATOM 701 CA TYR A 42 -0.854 -8.054 2.910 1.00 0.00 C ATOM 702 C TYR A 42 -1.755 -6.905 3.358 1.00 0.00 C ATOM 703 O TYR A 42 -2.218 -6.885 4.498 1.00 0.00 O ATOM 704 CB TYR A 42 0.610 -7.607 2.933 1.00 0.00 C ATOM 705 CG TYR A 42 1.582 -8.700 2.543 1.00 0.00 C ATOM 706 CD1 TYR A 42 1.637 -9.893 3.251 1.00 0.00 C ATOM 707 CD2 TYR A 42 2.435 -8.540 1.459 1.00 0.00 C ATOM 708 CE1 TYR A 42 2.518 -10.895 2.892 1.00 0.00 C ATOM 709 CE2 TYR A 42 3.318 -9.538 1.092 1.00 0.00 C ATOM 710 CZ TYR A 42 3.355 -10.713 1.812 1.00 0.00 C ATOM 711 OH TYR A 42 4.232 -11.709 1.448 1.00 0.00 O ATOM 0 H TYR A 42 -0.789 -8.059 0.808 1.00 0.00 H new ATOM 0 HA TYR A 42 -1.004 -8.872 3.615 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.734 -6.763 2.255 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.857 -7.252 3.933 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.981 -10.040 4.096 1.00 0.00 H new ATOM 0 HD2 TYR A 42 2.408 -7.620 0.893 1.00 0.00 H new ATOM 0 HE1 TYR A 42 2.551 -11.816 3.455 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.975 -9.398 0.246 1.00 0.00 H new ATOM 0 HH TYR A 42 4.748 -11.421 0.666 1.00 0.00 H new ATOM 721 N LEU A 43 -2.012 -5.958 2.469 1.00 0.00 N ATOM 722 CA LEU A 43 -2.705 -4.732 2.852 1.00 0.00 C ATOM 723 C LEU A 43 -4.214 -4.826 2.644 1.00 0.00 C ATOM 724 O LEU A 43 -4.985 -4.493 3.542 1.00 0.00 O ATOM 725 CB LEU A 43 -2.134 -3.536 2.088 1.00 0.00 C ATOM 726 CG LEU A 43 -1.184 -2.652 2.902 1.00 0.00 C ATOM 727 CD1 LEU A 43 -0.046 -3.472 3.491 1.00 0.00 C ATOM 728 CD2 LEU A 43 -0.639 -1.522 2.044 1.00 0.00 C ATOM 0 H LEU A 43 -1.754 -6.011 1.484 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.538 -4.590 3.920 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.604 -3.903 1.209 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.961 -2.923 1.729 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.750 -2.218 3.727 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.614 -2.820 4.064 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.454 -4.242 4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.518 -3.942 2.686 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.034 -0.905 2.640 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.095 -1.939 1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.465 -0.911 1.680 1.00 0.00 H new ATOM 740 N PHE A 44 -4.632 -5.304 1.479 1.00 0.00 N ATOM 741 CA PHE A 44 -6.055 -5.350 1.114 1.00 0.00 C ATOM 742 C PHE A 44 -6.980 -5.924 2.208 1.00 0.00 C ATOM 743 O PHE A 44 -8.043 -5.349 2.453 1.00 0.00 O ATOM 744 CB PHE A 44 -6.252 -6.123 -0.189 1.00 0.00 C ATOM 745 CG PHE A 44 -6.181 -5.258 -1.415 1.00 0.00 C ATOM 746 CD1 PHE A 44 -5.166 -4.326 -1.569 1.00 0.00 C ATOM 747 CD2 PHE A 44 -7.138 -5.369 -2.409 1.00 0.00 C ATOM 748 CE1 PHE A 44 -5.107 -3.525 -2.692 1.00 0.00 C ATOM 749 CE2 PHE A 44 -7.086 -4.569 -3.532 1.00 0.00 C ATOM 750 CZ PHE A 44 -6.068 -3.646 -3.674 1.00 0.00 C ATOM 0 H PHE A 44 -4.006 -5.669 0.761 1.00 0.00 H new ATOM 0 HA PHE A 44 -6.350 -4.309 0.986 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.492 -6.902 -0.259 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -7.220 -6.623 -0.163 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.413 -4.225 -0.802 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.935 -6.090 -2.304 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.310 -2.805 -2.801 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -7.840 -4.664 -4.299 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.025 -3.020 -4.553 1.00 0.00 H new ATOM 760 N PRO A 45 -6.624 -7.041 2.885 1.00 0.00 N ATOM 761 CA PRO A 45 -7.508 -7.648 3.889 1.00 0.00 C ATOM 762 C PRO A 45 -7.678 -6.783 5.138 1.00 0.00 C ATOM 763 O PRO A 45 -8.697 -6.868 5.827 1.00 0.00 O ATOM 764 CB PRO A 45 -6.810 -8.964 4.242 1.00 0.00 C ATOM 765 CG PRO A 45 -5.378 -8.741 3.909 1.00 0.00 C ATOM 766 CD PRO A 45 -5.364 -7.799 2.741 1.00 0.00 C ATOM 0 HA PRO A 45 -8.518 -7.775 3.500 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.937 -9.207 5.297 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.223 -9.796 3.671 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.842 -8.317 4.758 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -4.885 -9.680 3.658 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.496 -7.141 2.768 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.327 -8.337 1.794 1.00 0.00 H new ATOM 774 N ASP A 46 -6.691 -5.942 5.421 1.00 0.00 N ATOM 775 CA ASP A 46 -6.713 -5.127 6.630 1.00 0.00 C ATOM 776 C ASP A 46 -7.105 -3.682 6.333 1.00 0.00 C ATOM 777 O ASP A 46 -8.020 -3.142 6.958 1.00 0.00 O ATOM 778 CB ASP A 46 -5.355 -5.170 7.342 1.00 0.00 C ATOM 779 CG ASP A 46 -5.197 -6.398 8.223 1.00 0.00 C ATOM 780 OD1 ASP A 46 -5.634 -6.353 9.392 1.00 0.00 O ATOM 781 OD2 ASP A 46 -4.638 -7.418 7.758 1.00 0.00 O ATOM 0 H ASP A 46 -5.869 -5.806 4.833 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.471 -5.551 7.289 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -4.558 -5.156 6.598 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.239 -4.273 7.951 1.00 0.00 H new ATOM 786 N ILE A 47 -6.437 -3.065 5.369 1.00 0.00 N ATOM 787 CA ILE A 47 -6.664 -1.654 5.070 1.00 0.00 C ATOM 788 C ILE A 47 -7.963 -1.479 4.296 1.00 0.00 C ATOM 789 O ILE A 47 -8.622 -0.446 4.383 1.00 0.00 O ATOM 790 CB ILE A 47 -5.524 -1.031 4.225 1.00 0.00 C ATOM 791 CG1 ILE A 47 -4.213 -1.796 4.378 1.00 0.00 C ATOM 792 CG2 ILE A 47 -5.312 0.416 4.621 1.00 0.00 C ATOM 793 CD1 ILE A 47 -3.625 -1.747 5.763 1.00 0.00 C ATOM 0 H ILE A 47 -5.735 -3.515 4.781 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.707 -1.144 6.033 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.828 -1.090 3.180 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.380 -2.838 4.103 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.486 -1.393 3.673 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.509 0.844 4.021 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.230 0.978 4.451 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.044 0.469 5.676 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.695 -2.316 5.784 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.423 -0.711 6.036 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.330 -2.179 6.473 1.00 0.00 H new ATOM 805 N GLY A 48 -8.334 -2.513 3.552 1.00 0.00 N ATOM 806 CA GLY A 48 -9.489 -2.423 2.683 1.00 0.00 C ATOM 807 C GLY A 48 -10.803 -2.587 3.417 1.00 0.00 C ATOM 808 O GLY A 48 -11.865 -2.543 2.802 1.00 0.00 O ATOM 0 H GLY A 48 -7.854 -3.413 3.536 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.481 -1.457 2.178 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.414 -3.188 1.910 1.00 0.00 H new ATOM 812 N ASN A 49 -10.735 -2.778 4.724 1.00 0.00 N ATOM 813 CA ASN A 49 -11.940 -2.903 5.535 1.00 0.00 C ATOM 814 C ASN A 49 -12.245 -1.559 6.195 1.00 0.00 C ATOM 815 O ASN A 49 -13.111 -1.444 7.060 1.00 0.00 O ATOM 816 CB ASN A 49 -11.754 -3.996 6.595 1.00 0.00 C ATOM 817 CG ASN A 49 -13.070 -4.589 7.079 1.00 0.00 C ATOM 818 OD1 ASN A 49 -14.116 -3.940 7.059 1.00 0.00 O ATOM 819 ND2 ASN A 49 -13.027 -5.839 7.508 1.00 0.00 N ATOM 0 H ASN A 49 -9.862 -2.850 5.247 1.00 0.00 H new ATOM 0 HA ASN A 49 -12.779 -3.186 4.900 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -11.134 -4.792 6.183 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -11.215 -3.580 7.446 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -13.878 -6.295 7.836 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -12.143 -6.347 7.511 1.00 0.00 H new ATOM 826 N LYS A 50 -11.517 -0.534 5.772 1.00 0.00 N ATOM 827 CA LYS A 50 -11.698 0.806 6.299 1.00 0.00 C ATOM 828 C LYS A 50 -11.994 1.781 5.162 1.00 0.00 C ATOM 829 O LYS A 50 -11.612 1.545 4.016 1.00 0.00 O ATOM 830 CB LYS A 50 -10.450 1.236 7.075 1.00 0.00 C ATOM 831 CG LYS A 50 -10.255 0.476 8.380 1.00 0.00 C ATOM 832 CD LYS A 50 -8.837 0.629 8.901 1.00 0.00 C ATOM 833 CE LYS A 50 -8.679 0.118 10.325 1.00 0.00 C ATOM 834 NZ LYS A 50 -9.220 1.075 11.325 1.00 0.00 N ATOM 0 H LYS A 50 -10.791 -0.610 5.060 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.547 0.810 6.983 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.572 1.092 6.445 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.515 2.302 7.291 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.960 0.843 9.126 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.476 -0.580 8.225 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.153 0.088 8.247 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.551 1.680 8.862 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.191 -0.839 10.425 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.624 -0.062 10.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.579 1.122 12.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.302 2.018 10.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.159 0.755 11.639 1.00 0.00 H new ATOM 848 N ASP A 51 -12.663 2.880 5.489 1.00 0.00 N ATOM 849 CA ASP A 51 -13.117 3.853 4.489 1.00 0.00 C ATOM 850 C ASP A 51 -11.992 4.819 4.097 1.00 0.00 C ATOM 851 O ASP A 51 -12.241 5.886 3.538 1.00 0.00 O ATOM 852 CB ASP A 51 -14.323 4.629 5.047 1.00 0.00 C ATOM 853 CG ASP A 51 -14.982 5.547 4.029 1.00 0.00 C ATOM 854 OD1 ASP A 51 -15.630 5.036 3.089 1.00 0.00 O ATOM 855 OD2 ASP A 51 -14.878 6.784 4.177 1.00 0.00 O ATOM 0 H ASP A 51 -12.908 3.126 6.448 1.00 0.00 H new ATOM 0 HA ASP A 51 -13.413 3.315 3.588 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -15.063 3.918 5.415 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -13.998 5.222 5.902 1.00 0.00 H new ATOM 860 N ILE A 52 -10.746 4.435 4.386 1.00 0.00 N ATOM 861 CA ILE A 52 -9.575 5.272 4.102 1.00 0.00 C ATOM 862 C ILE A 52 -9.489 6.457 5.077 1.00 0.00 C ATOM 863 O ILE A 52 -8.425 6.738 5.627 1.00 0.00 O ATOM 864 CB ILE A 52 -9.559 5.746 2.618 1.00 0.00 C ATOM 865 CG1 ILE A 52 -8.464 5.013 1.833 1.00 0.00 C ATOM 866 CG2 ILE A 52 -9.377 7.250 2.495 1.00 0.00 C ATOM 867 CD1 ILE A 52 -7.055 5.422 2.220 1.00 0.00 C ATOM 0 H ILE A 52 -10.520 3.541 4.821 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.686 4.659 4.253 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.532 5.501 2.193 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -8.576 3.940 1.987 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.607 5.199 0.768 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -9.372 7.531 1.442 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -10.197 7.758 3.003 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -8.431 7.541 2.952 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.336 4.861 1.622 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.923 6.489 2.039 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.892 5.210 3.277 1.00 0.00 H new ATOM 879 N ALA A 53 -10.619 7.111 5.328 1.00 0.00 N ATOM 880 CA ALA A 53 -10.689 8.194 6.304 1.00 0.00 C ATOM 881 C ALA A 53 -10.834 7.620 7.713 1.00 0.00 C ATOM 882 O ALA A 53 -11.218 8.313 8.656 1.00 0.00 O ATOM 883 CB ALA A 53 -11.853 9.117 5.979 1.00 0.00 C ATOM 0 H ALA A 53 -11.505 6.908 4.865 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.767 8.774 6.259 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.896 9.921 6.714 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.714 9.541 4.984 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.784 8.551 6.006 1.00 0.00 H new ATOM 889 N GLU A 54 -10.509 6.342 7.831 1.00 0.00 N ATOM 890 CA GLU A 54 -10.610 5.615 9.084 1.00 0.00 C ATOM 891 C GLU A 54 -9.260 4.967 9.392 1.00 0.00 C ATOM 892 O GLU A 54 -9.164 3.983 10.134 1.00 0.00 O ATOM 893 CB GLU A 54 -11.711 4.556 8.959 1.00 0.00 C ATOM 894 CG GLU A 54 -12.142 3.941 10.279 1.00 0.00 C ATOM 895 CD GLU A 54 -13.201 2.876 10.098 1.00 0.00 C ATOM 896 OE1 GLU A 54 -14.392 3.230 9.985 1.00 0.00 O ATOM 897 OE2 GLU A 54 -12.845 1.683 10.068 1.00 0.00 O ATOM 0 H GLU A 54 -10.166 5.778 7.054 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.867 6.290 9.900 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.580 5.008 8.481 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.361 3.762 8.299 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.274 3.507 10.775 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -12.525 4.724 10.934 1.00 0.00 H new ATOM 904 N LEU A 55 -8.212 5.533 8.807 1.00 0.00 N ATOM 905 CA LEU A 55 -6.867 5.000 8.951 1.00 0.00 C ATOM 906 C LEU A 55 -5.980 5.937 9.759 1.00 0.00 C ATOM 907 O LEU A 55 -5.692 7.059 9.343 1.00 0.00 O ATOM 908 CB LEU A 55 -6.241 4.756 7.578 1.00 0.00 C ATOM 909 CG LEU A 55 -6.803 3.565 6.804 1.00 0.00 C ATOM 910 CD1 LEU A 55 -6.323 3.597 5.367 1.00 0.00 C ATOM 911 CD2 LEU A 55 -6.382 2.262 7.467 1.00 0.00 C ATOM 0 H LEU A 55 -8.271 6.368 8.224 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.944 4.054 9.487 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.370 5.654 6.974 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.169 4.610 7.707 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.891 3.628 6.811 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.731 2.742 4.828 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.658 4.519 4.892 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.234 3.552 5.346 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.789 1.420 6.906 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.294 2.196 7.482 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.761 2.234 8.489 1.00 0.00 H new ATOM 923 N ASP A 56 -5.575 5.474 10.926 1.00 0.00 N ATOM 924 CA ASP A 56 -4.592 6.176 11.734 1.00 0.00 C ATOM 925 C ASP A 56 -3.222 5.548 11.499 1.00 0.00 C ATOM 926 O ASP A 56 -3.131 4.472 10.906 1.00 0.00 O ATOM 927 CB ASP A 56 -4.973 6.100 13.220 1.00 0.00 C ATOM 928 CG ASP A 56 -3.965 6.779 14.127 1.00 0.00 C ATOM 929 OD1 ASP A 56 -3.988 8.026 14.223 1.00 0.00 O ATOM 930 OD2 ASP A 56 -3.139 6.071 14.743 1.00 0.00 O ATOM 0 H ASP A 56 -5.915 4.606 11.340 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.563 7.227 11.447 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.950 6.561 13.363 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.069 5.054 13.512 1.00 0.00 H new ATOM 935 N THR A 57 -2.164 6.223 11.933 1.00 0.00 N ATOM 936 CA THR A 57 -0.819 5.677 11.858 1.00 0.00 C ATOM 937 C THR A 57 -0.774 4.277 12.472 1.00 0.00 C ATOM 938 O THR A 57 -0.121 3.379 11.942 1.00 0.00 O ATOM 939 CB THR A 57 0.181 6.597 12.587 1.00 0.00 C ATOM 940 OG1 THR A 57 0.018 7.947 12.128 1.00 0.00 O ATOM 941 CG2 THR A 57 1.617 6.146 12.347 1.00 0.00 C ATOM 0 H THR A 57 -2.215 7.156 12.343 1.00 0.00 H new ATOM 0 HA THR A 57 -0.538 5.612 10.807 1.00 0.00 H new ATOM 0 HB THR A 57 -0.022 6.543 13.657 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.406 8.037 11.232 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.300 6.813 12.873 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.746 5.129 12.717 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.833 6.173 11.279 1.00 0.00 H new ATOM 949 N GLY A 58 -1.502 4.092 13.570 1.00 0.00 N ATOM 950 CA GLY A 58 -1.571 2.791 14.209 1.00 0.00 C ATOM 951 C GLY A 58 -2.241 1.754 13.327 1.00 0.00 C ATOM 952 O GLY A 58 -1.776 0.617 13.230 1.00 0.00 O ATOM 0 H GLY A 58 -2.046 4.822 14.029 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.564 2.457 14.459 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.120 2.877 15.147 1.00 0.00 H new ATOM 956 N ASP A 59 -3.318 2.160 12.657 1.00 0.00 N ATOM 957 CA ASP A 59 -4.069 1.261 11.777 1.00 0.00 C ATOM 958 C ASP A 59 -3.216 0.804 10.605 1.00 0.00 C ATOM 959 O ASP A 59 -3.472 -0.240 10.013 1.00 0.00 O ATOM 960 CB ASP A 59 -5.332 1.937 11.231 1.00 0.00 C ATOM 961 CG ASP A 59 -6.382 2.197 12.290 1.00 0.00 C ATOM 962 OD1 ASP A 59 -6.901 1.221 12.875 1.00 0.00 O ATOM 963 OD2 ASP A 59 -6.721 3.375 12.514 1.00 0.00 O ATOM 0 H ASP A 59 -3.692 3.108 12.706 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.355 0.399 12.379 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.056 2.883 10.764 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.762 1.310 10.450 1.00 0.00 H new ATOM 968 N LEU A 60 -2.213 1.600 10.268 1.00 0.00 N ATOM 969 CA LEU A 60 -1.322 1.282 9.162 1.00 0.00 C ATOM 970 C LEU A 60 -0.103 0.508 9.657 1.00 0.00 C ATOM 971 O LEU A 60 0.421 -0.365 8.957 1.00 0.00 O ATOM 972 CB LEU A 60 -0.887 2.567 8.459 1.00 0.00 C ATOM 973 CG LEU A 60 -2.035 3.413 7.907 1.00 0.00 C ATOM 974 CD1 LEU A 60 -1.513 4.714 7.325 1.00 0.00 C ATOM 975 CD2 LEU A 60 -2.811 2.635 6.858 1.00 0.00 C ATOM 0 H LEU A 60 -1.995 2.474 10.746 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.858 0.653 8.451 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.312 3.172 9.160 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.218 2.308 7.639 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.709 3.653 8.730 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.347 5.300 6.938 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.001 5.281 8.103 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.816 4.497 6.516 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.624 3.252 6.476 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.145 2.364 6.039 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.221 1.730 7.306 1.00 0.00 H new ATOM 987 N LEU A 61 0.336 0.819 10.870 1.00 0.00 N ATOM 988 CA LEU A 61 1.501 0.165 11.452 1.00 0.00 C ATOM 989 C LEU A 61 1.254 -1.314 11.698 1.00 0.00 C ATOM 990 O LEU A 61 2.165 -2.117 11.557 1.00 0.00 O ATOM 991 CB LEU A 61 1.915 0.833 12.765 1.00 0.00 C ATOM 992 CG LEU A 61 2.612 2.186 12.625 1.00 0.00 C ATOM 993 CD1 LEU A 61 3.023 2.703 13.993 1.00 0.00 C ATOM 994 CD2 LEU A 61 3.824 2.074 11.710 1.00 0.00 C ATOM 0 H LEU A 61 -0.097 1.521 11.470 1.00 0.00 H new ATOM 0 HA LEU A 61 2.309 0.268 10.727 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.026 0.964 13.381 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.579 0.156 13.303 1.00 0.00 H new ATOM 0 HG LEU A 61 1.914 2.893 12.178 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.519 3.667 13.884 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.138 2.819 14.619 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.707 1.994 14.459 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.306 3.048 11.624 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.530 1.356 12.127 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.505 1.738 10.723 1.00 0.00 H new ATOM 1006 N VAL A 62 0.030 -1.672 12.067 1.00 0.00 N ATOM 1007 CA VAL A 62 -0.289 -3.067 12.360 1.00 0.00 C ATOM 1008 C VAL A 62 -0.074 -3.972 11.136 1.00 0.00 C ATOM 1009 O VAL A 62 0.578 -4.998 11.255 1.00 0.00 O ATOM 1010 CB VAL A 62 -1.719 -3.242 12.915 1.00 0.00 C ATOM 1011 CG1 VAL A 62 -2.004 -4.708 13.208 1.00 0.00 C ATOM 1012 CG2 VAL A 62 -1.902 -2.410 14.174 1.00 0.00 C ATOM 0 H VAL A 62 -0.752 -1.025 12.170 1.00 0.00 H new ATOM 0 HA VAL A 62 0.406 -3.377 13.140 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.425 -2.897 12.160 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.017 -4.811 13.598 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.908 -5.288 12.290 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.292 -5.077 13.946 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.915 -2.543 14.554 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.185 -2.731 14.930 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.737 -1.358 13.942 1.00 0.00 H new ATOM 1022 N PRO A 63 -0.627 -3.634 9.951 1.00 0.00 N ATOM 1023 CA PRO A 63 -0.333 -4.372 8.709 1.00 0.00 C ATOM 1024 C PRO A 63 1.163 -4.413 8.383 1.00 0.00 C ATOM 1025 O PRO A 63 1.673 -5.428 7.912 1.00 0.00 O ATOM 1026 CB PRO A 63 -1.098 -3.594 7.641 1.00 0.00 C ATOM 1027 CG PRO A 63 -2.198 -2.932 8.390 1.00 0.00 C ATOM 1028 CD PRO A 63 -1.620 -2.571 9.724 1.00 0.00 C ATOM 0 HA PRO A 63 -0.627 -5.419 8.783 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.458 -2.864 7.145 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.486 -4.256 6.867 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.552 -2.045 7.864 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.053 -3.599 8.501 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.159 -1.584 9.710 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.382 -2.556 10.504 1.00 0.00 H new ATOM 1036 N ILE A 64 1.867 -3.314 8.634 1.00 0.00 N ATOM 1037 CA ILE A 64 3.321 -3.300 8.476 1.00 0.00 C ATOM 1038 C ILE A 64 3.958 -4.275 9.467 1.00 0.00 C ATOM 1039 O ILE A 64 4.859 -5.042 9.127 1.00 0.00 O ATOM 1040 CB ILE A 64 3.905 -1.888 8.704 1.00 0.00 C ATOM 1041 CG1 ILE A 64 3.337 -0.907 7.674 1.00 0.00 C ATOM 1042 CG2 ILE A 64 5.428 -1.918 8.636 1.00 0.00 C ATOM 1043 CD1 ILE A 64 3.762 0.528 7.904 1.00 0.00 C ATOM 0 H ILE A 64 1.463 -2.430 8.944 1.00 0.00 H new ATOM 0 HA ILE A 64 3.547 -3.602 7.453 1.00 0.00 H new ATOM 0 HB ILE A 64 3.617 -1.550 9.700 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.654 -1.216 6.678 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.249 -0.962 7.694 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.819 -0.914 8.799 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.813 -2.587 9.405 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.741 -2.275 7.655 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.322 1.165 7.137 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.422 0.855 8.886 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.849 0.598 7.855 1.00 0.00 H new ATOM 1055 N LYS A 65 3.445 -4.244 10.685 1.00 0.00 N ATOM 1056 CA LYS A 65 3.904 -5.106 11.763 1.00 0.00 C ATOM 1057 C LYS A 65 3.497 -6.557 11.497 1.00 0.00 C ATOM 1058 O LYS A 65 4.102 -7.493 12.011 1.00 0.00 O ATOM 1059 CB LYS A 65 3.302 -4.609 13.077 1.00 0.00 C ATOM 1060 CG LYS A 65 3.880 -5.251 14.319 1.00 0.00 C ATOM 1061 CD LYS A 65 3.279 -4.639 15.571 1.00 0.00 C ATOM 1062 CE LYS A 65 3.967 -5.151 16.819 1.00 0.00 C ATOM 1063 NZ LYS A 65 5.417 -4.812 16.822 1.00 0.00 N ATOM 0 H LYS A 65 2.691 -3.614 10.957 1.00 0.00 H new ATOM 0 HA LYS A 65 4.992 -5.072 11.825 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.445 -3.530 13.142 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.227 -4.787 13.059 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.686 -6.323 14.304 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.962 -5.123 14.330 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.365 -3.553 15.525 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.215 -4.872 15.618 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.490 -4.722 17.700 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.845 -6.232 16.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.798 -4.927 17.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.923 -5.445 16.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.544 -3.826 16.515 1.00 0.00 H new ATOM 1077 N LYS A 66 2.462 -6.720 10.690 1.00 0.00 N ATOM 1078 CA LYS A 66 2.008 -8.029 10.242 1.00 0.00 C ATOM 1079 C LYS A 66 3.079 -8.662 9.361 1.00 0.00 C ATOM 1080 O LYS A 66 3.367 -9.855 9.457 1.00 0.00 O ATOM 1081 CB LYS A 66 0.701 -7.858 9.462 1.00 0.00 C ATOM 1082 CG LYS A 66 -0.004 -9.146 9.080 1.00 0.00 C ATOM 1083 CD LYS A 66 -1.230 -8.844 8.231 1.00 0.00 C ATOM 1084 CE LYS A 66 -2.118 -10.061 8.057 1.00 0.00 C ATOM 1085 NZ LYS A 66 -3.312 -9.756 7.223 1.00 0.00 N ATOM 0 H LYS A 66 1.909 -5.945 10.324 1.00 0.00 H new ATOM 0 HA LYS A 66 1.831 -8.682 11.097 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.018 -7.254 10.059 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.912 -7.296 8.552 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.679 -9.793 8.529 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.300 -9.687 9.979 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.803 -8.041 8.695 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.913 -8.484 7.252 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.546 -10.865 7.594 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.439 -10.420 9.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.921 -10.597 7.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.843 -8.971 7.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.007 -9.486 6.266 1.00 0.00 H new ATOM 1099 N ILE A 67 3.679 -7.835 8.514 1.00 0.00 N ATOM 1100 CA ILE A 67 4.779 -8.266 7.662 1.00 0.00 C ATOM 1101 C ILE A 67 6.066 -8.359 8.486 1.00 0.00 C ATOM 1102 O ILE A 67 6.940 -9.186 8.212 1.00 0.00 O ATOM 1103 CB ILE A 67 4.963 -7.299 6.472 1.00 0.00 C ATOM 1104 CG1 ILE A 67 3.623 -7.100 5.758 1.00 0.00 C ATOM 1105 CG2 ILE A 67 6.005 -7.840 5.502 1.00 0.00 C ATOM 1106 CD1 ILE A 67 3.643 -6.024 4.693 1.00 0.00 C ATOM 0 H ILE A 67 3.420 -6.855 8.399 1.00 0.00 H new ATOM 0 HA ILE A 67 4.545 -9.251 7.259 1.00 0.00 H new ATOM 0 HB ILE A 67 5.313 -6.338 6.848 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.324 -8.043 5.301 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.863 -6.849 6.498 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.122 -7.146 4.670 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.959 -7.952 6.018 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.681 -8.809 5.123 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.657 -5.946 4.236 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.910 -5.069 5.146 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.377 -6.281 3.930 1.00 0.00 H new ATOM 1118 N GLU A 68 6.161 -7.511 9.509 1.00 0.00 N ATOM 1119 CA GLU A 68 7.233 -7.597 10.500 1.00 0.00 C ATOM 1120 C GLU A 68 7.198 -8.963 11.184 1.00 0.00 C ATOM 1121 O GLU A 68 8.223 -9.630 11.333 1.00 0.00 O ATOM 1122 CB GLU A 68 7.072 -6.486 11.548 1.00 0.00 C ATOM 1123 CG GLU A 68 8.062 -6.573 12.701 1.00 0.00 C ATOM 1124 CD GLU A 68 7.757 -5.594 13.821 1.00 0.00 C ATOM 1125 OE1 GLU A 68 8.256 -4.451 13.766 1.00 0.00 O ATOM 1126 OE2 GLU A 68 7.035 -5.968 14.775 1.00 0.00 O ATOM 0 H GLU A 68 5.502 -6.750 9.674 1.00 0.00 H new ATOM 0 HA GLU A 68 8.192 -7.473 9.996 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.185 -5.519 11.058 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.059 -6.523 11.949 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.057 -7.587 13.101 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.067 -6.384 12.324 1.00 0.00 H new ATOM 1133 N LYS A 69 5.999 -9.370 11.578 1.00 0.00 N ATOM 1134 CA LYS A 69 5.779 -10.651 12.232 1.00 0.00 C ATOM 1135 C LYS A 69 5.927 -11.793 11.227 1.00 0.00 C ATOM 1136 O LYS A 69 6.055 -12.963 11.600 1.00 0.00 O ATOM 1137 CB LYS A 69 4.382 -10.664 12.861 1.00 0.00 C ATOM 1138 CG LYS A 69 4.116 -11.844 13.780 1.00 0.00 C ATOM 1139 CD LYS A 69 2.712 -11.775 14.354 1.00 0.00 C ATOM 1140 CE LYS A 69 2.442 -12.911 15.323 1.00 0.00 C ATOM 1141 NZ LYS A 69 1.062 -12.851 15.870 1.00 0.00 N ATOM 0 H LYS A 69 5.150 -8.819 11.452 1.00 0.00 H new ATOM 0 HA LYS A 69 6.525 -10.791 13.015 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.243 -9.742 13.425 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.638 -10.666 12.064 1.00 0.00 H new ATOM 0 HG2 LYS A 69 4.243 -12.776 13.229 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.845 -11.851 14.590 1.00 0.00 H new ATOM 0 HD2 LYS A 69 2.575 -10.822 14.864 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.985 -11.810 13.542 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.591 -13.865 14.816 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.160 -12.869 16.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.915 -13.643 16.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.927 -11.952 16.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.376 -12.916 15.091 1.00 0.00 H new ATOM 1155 N LEU A 70 5.912 -11.442 9.948 1.00 0.00 N ATOM 1156 CA LEU A 70 6.097 -12.413 8.883 1.00 0.00 C ATOM 1157 C LEU A 70 7.589 -12.672 8.676 1.00 0.00 C ATOM 1158 O LEU A 70 7.980 -13.634 8.017 1.00 0.00 O ATOM 1159 CB LEU A 70 5.457 -11.905 7.585 1.00 0.00 C ATOM 1160 CG LEU A 70 5.308 -12.944 6.472 1.00 0.00 C ATOM 1161 CD1 LEU A 70 4.306 -14.014 6.878 1.00 0.00 C ATOM 1162 CD2 LEU A 70 4.876 -12.276 5.177 1.00 0.00 C ATOM 0 H LEU A 70 5.773 -10.485 9.624 1.00 0.00 H new ATOM 0 HA LEU A 70 5.611 -13.348 9.163 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.470 -11.506 7.819 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.055 -11.076 7.206 1.00 0.00 H new ATOM 0 HG LEU A 70 6.275 -13.419 6.309 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.211 -14.746 6.076 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.652 -14.511 7.784 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.336 -13.552 7.065 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.775 -13.029 4.395 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.918 -11.777 5.327 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.625 -11.542 4.879 1.00 0.00 H new ATOM 1174 N GLY A 71 8.414 -11.798 9.245 1.00 0.00 N ATOM 1175 CA GLY A 71 9.853 -11.973 9.176 1.00 0.00 C ATOM 1176 C GLY A 71 10.488 -11.168 8.061 1.00 0.00 C ATOM 1177 O GLY A 71 11.712 -11.110 7.946 1.00 0.00 O ATOM 0 H GLY A 71 8.109 -10.969 9.755 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.296 -11.680 10.128 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.080 -13.029 9.030 1.00 0.00 H new ATOM 1181 N TYR A 72 9.664 -10.535 7.245 1.00 0.00 N ATOM 1182 CA TYR A 72 10.163 -9.787 6.104 1.00 0.00 C ATOM 1183 C TYR A 72 10.164 -8.290 6.381 1.00 0.00 C ATOM 1184 O TYR A 72 9.260 -7.569 5.960 1.00 0.00 O ATOM 1185 CB TYR A 72 9.336 -10.085 4.854 1.00 0.00 C ATOM 1186 CG TYR A 72 9.451 -11.513 4.368 1.00 0.00 C ATOM 1187 CD1 TYR A 72 10.574 -11.943 3.673 1.00 0.00 C ATOM 1188 CD2 TYR A 72 8.434 -12.427 4.599 1.00 0.00 C ATOM 1189 CE1 TYR A 72 10.679 -13.244 3.221 1.00 0.00 C ATOM 1190 CE2 TYR A 72 8.530 -13.731 4.150 1.00 0.00 C ATOM 1191 CZ TYR A 72 9.654 -14.133 3.462 1.00 0.00 C ATOM 1192 OH TYR A 72 9.752 -15.429 3.009 1.00 0.00 O ATOM 0 H TYR A 72 8.650 -10.524 7.350 1.00 0.00 H new ATOM 0 HA TYR A 72 11.191 -10.105 5.930 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.289 -9.866 5.063 1.00 0.00 H new ATOM 0 HB3 TYR A 72 9.649 -9.413 4.055 1.00 0.00 H new ATOM 0 HD1 TYR A 72 11.379 -11.248 3.483 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.552 -12.115 5.139 1.00 0.00 H new ATOM 0 HE1 TYR A 72 11.559 -13.563 2.682 1.00 0.00 H new ATOM 0 HE2 TYR A 72 7.729 -14.430 4.337 1.00 0.00 H new ATOM 0 HH TYR A 72 8.946 -15.926 3.263 1.00 0.00 H new ATOM 1202 N LEU A 73 11.180 -7.829 7.094 1.00 0.00 N ATOM 1203 CA LEU A 73 11.315 -6.409 7.403 1.00 0.00 C ATOM 1204 C LEU A 73 11.537 -5.595 6.137 1.00 0.00 C ATOM 1205 O LEU A 73 11.043 -4.475 6.014 1.00 0.00 O ATOM 1206 CB LEU A 73 12.462 -6.178 8.387 1.00 0.00 C ATOM 1207 CG LEU A 73 12.182 -6.639 9.816 1.00 0.00 C ATOM 1208 CD1 LEU A 73 13.401 -6.422 10.697 1.00 0.00 C ATOM 1209 CD2 LEU A 73 10.977 -5.899 10.376 1.00 0.00 C ATOM 0 H LEU A 73 11.925 -8.416 7.471 1.00 0.00 H new ATOM 0 HA LEU A 73 10.386 -6.077 7.866 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.347 -6.697 8.020 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.700 -5.114 8.403 1.00 0.00 H new ATOM 0 HG LEU A 73 11.961 -7.706 9.802 1.00 0.00 H new ATOM 0 HD11 LEU A 73 13.181 -6.757 11.711 1.00 0.00 H new ATOM 0 HD12 LEU A 73 14.242 -6.991 10.301 1.00 0.00 H new ATOM 0 HD13 LEU A 73 13.655 -5.362 10.712 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.785 -6.235 11.395 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.177 -4.827 10.378 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.104 -6.104 9.756 1.00 0.00 H new ATOM 1221 N GLU A 74 12.269 -6.169 5.191 1.00 0.00 N ATOM 1222 CA GLU A 74 12.517 -5.506 3.921 1.00 0.00 C ATOM 1223 C GLU A 74 11.208 -5.301 3.166 1.00 0.00 C ATOM 1224 O GLU A 74 10.925 -4.207 2.683 1.00 0.00 O ATOM 1225 CB GLU A 74 13.490 -6.317 3.067 1.00 0.00 C ATOM 1226 CG GLU A 74 13.756 -5.687 1.711 1.00 0.00 C ATOM 1227 CD GLU A 74 14.633 -6.545 0.826 1.00 0.00 C ATOM 1228 OE1 GLU A 74 14.679 -7.775 1.035 1.00 0.00 O ATOM 1229 OE2 GLU A 74 15.277 -5.994 -0.089 1.00 0.00 O ATOM 0 H GLU A 74 12.699 -7.089 5.280 1.00 0.00 H new ATOM 0 HA GLU A 74 12.964 -4.534 4.127 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.433 -6.424 3.603 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.089 -7.320 2.923 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.806 -5.506 1.207 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.231 -4.716 1.854 1.00 0.00 H new ATOM 1236 N ILE A 75 10.408 -6.358 3.083 1.00 0.00 N ATOM 1237 CA ILE A 75 9.127 -6.291 2.395 1.00 0.00 C ATOM 1238 C ILE A 75 8.203 -5.287 3.075 1.00 0.00 C ATOM 1239 O ILE A 75 7.518 -4.521 2.403 1.00 0.00 O ATOM 1240 CB ILE A 75 8.449 -7.677 2.314 1.00 0.00 C ATOM 1241 CG1 ILE A 75 9.261 -8.599 1.397 1.00 0.00 C ATOM 1242 CG2 ILE A 75 7.010 -7.558 1.821 1.00 0.00 C ATOM 1243 CD1 ILE A 75 8.624 -9.951 1.167 1.00 0.00 C ATOM 0 H ILE A 75 10.625 -7.271 3.484 1.00 0.00 H new ATOM 0 HA ILE A 75 9.321 -5.956 1.376 1.00 0.00 H new ATOM 0 HB ILE A 75 8.420 -8.107 3.315 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.401 -8.106 0.435 1.00 0.00 H new ATOM 0 HG13 ILE A 75 10.251 -8.744 1.829 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.558 -8.549 1.774 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.441 -6.932 2.508 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.002 -7.108 0.828 1.00 0.00 H new ATOM 0 HD11 ILE A 75 9.258 -10.545 0.509 1.00 0.00 H new ATOM 0 HD12 ILE A 75 8.509 -10.466 2.121 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.645 -9.818 0.706 1.00 0.00 H new ATOM 1255 N ALA A 76 8.213 -5.275 4.404 1.00 0.00 N ATOM 1256 CA ALA A 76 7.419 -4.318 5.169 1.00 0.00 C ATOM 1257 C ALA A 76 7.758 -2.886 4.761 1.00 0.00 C ATOM 1258 O ALA A 76 6.869 -2.060 4.551 1.00 0.00 O ATOM 1259 CB ALA A 76 7.647 -4.514 6.660 1.00 0.00 C ATOM 0 H ALA A 76 8.762 -5.917 4.975 1.00 0.00 H new ATOM 0 HA ALA A 76 6.366 -4.494 4.951 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.048 -3.793 7.217 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.354 -5.525 6.943 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.702 -4.364 6.890 1.00 0.00 H new ATOM 1265 N MET A 77 9.051 -2.600 4.640 1.00 0.00 N ATOM 1266 CA MET A 77 9.505 -1.280 4.203 1.00 0.00 C ATOM 1267 C MET A 77 9.095 -1.007 2.755 1.00 0.00 C ATOM 1268 O MET A 77 8.720 0.115 2.408 1.00 0.00 O ATOM 1269 CB MET A 77 11.023 -1.151 4.338 1.00 0.00 C ATOM 1270 CG MET A 77 11.524 -1.265 5.769 1.00 0.00 C ATOM 1271 SD MET A 77 13.294 -0.939 5.913 1.00 0.00 S ATOM 1272 CE MET A 77 13.972 -2.268 4.919 1.00 0.00 C ATOM 0 H MET A 77 9.802 -3.261 4.837 1.00 0.00 H new ATOM 0 HA MET A 77 9.028 -0.543 4.848 1.00 0.00 H new ATOM 0 HB2 MET A 77 11.499 -1.923 3.734 1.00 0.00 H new ATOM 0 HB3 MET A 77 11.334 -0.190 3.929 1.00 0.00 H new ATOM 0 HG2 MET A 77 10.977 -0.563 6.399 1.00 0.00 H new ATOM 0 HG3 MET A 77 11.311 -2.265 6.146 1.00 0.00 H new ATOM 0 HE1 MET A 77 15.045 -2.119 4.795 1.00 0.00 H new ATOM 0 HE2 MET A 77 13.793 -3.222 5.416 1.00 0.00 H new ATOM 0 HE3 MET A 77 13.491 -2.273 3.941 1.00 0.00 H new ATOM 1282 N ARG A 78 9.165 -2.036 1.917 1.00 0.00 N ATOM 1283 CA ARG A 78 8.814 -1.903 0.507 1.00 0.00 C ATOM 1284 C ARG A 78 7.320 -1.649 0.329 1.00 0.00 C ATOM 1285 O ARG A 78 6.919 -0.761 -0.422 1.00 0.00 O ATOM 1286 CB ARG A 78 9.227 -3.151 -0.279 1.00 0.00 C ATOM 1287 CG ARG A 78 10.732 -3.351 -0.354 1.00 0.00 C ATOM 1288 CD ARG A 78 11.088 -4.518 -1.257 1.00 0.00 C ATOM 1289 NE ARG A 78 12.531 -4.745 -1.317 1.00 0.00 N ATOM 1290 CZ ARG A 78 13.291 -4.429 -2.362 1.00 0.00 C ATOM 1291 NH1 ARG A 78 12.759 -3.830 -3.420 1.00 0.00 N ATOM 1292 NH2 ARG A 78 14.588 -4.708 -2.343 1.00 0.00 N ATOM 0 H ARG A 78 9.462 -2.973 2.190 1.00 0.00 H new ATOM 0 HA ARG A 78 9.359 -1.044 0.116 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.775 -4.028 0.184 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.827 -3.082 -1.291 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.204 -2.442 -0.727 1.00 0.00 H new ATOM 0 HG3 ARG A 78 11.128 -3.528 0.646 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.594 -5.420 -0.895 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.709 -4.328 -2.261 1.00 0.00 H new ATOM 0 HE ARG A 78 12.983 -5.172 -0.508 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.763 -3.610 -3.434 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.346 -3.590 -4.219 1.00 0.00 H new ATOM 0 HH21 ARG A 78 15.000 -5.164 -1.529 1.00 0.00 H new ATOM 0 HH22 ARG A 78 15.173 -4.467 -3.143 1.00 0.00 H new ATOM 1306 N VAL A 79 6.501 -2.423 1.029 1.00 0.00 N ATOM 1307 CA VAL A 79 5.054 -2.273 0.942 1.00 0.00 C ATOM 1308 C VAL A 79 4.625 -0.936 1.536 1.00 0.00 C ATOM 1309 O VAL A 79 3.679 -0.305 1.056 1.00 0.00 O ATOM 1310 CB VAL A 79 4.313 -3.432 1.644 1.00 0.00 C ATOM 1311 CG1 VAL A 79 2.807 -3.250 1.541 1.00 0.00 C ATOM 1312 CG2 VAL A 79 4.724 -4.768 1.041 1.00 0.00 C ATOM 0 H VAL A 79 6.813 -3.160 1.662 1.00 0.00 H new ATOM 0 HA VAL A 79 4.783 -2.301 -0.114 1.00 0.00 H new ATOM 0 HB VAL A 79 4.589 -3.423 2.698 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.305 -4.078 2.042 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.521 -2.311 2.015 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.514 -3.230 0.491 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.193 -5.574 1.547 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.476 -4.780 -0.020 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.798 -4.908 1.164 1.00 0.00 H new ATOM 1322 N LYS A 80 5.343 -0.492 2.564 1.00 0.00 N ATOM 1323 CA LYS A 80 5.097 0.815 3.155 1.00 0.00 C ATOM 1324 C LYS A 80 5.291 1.901 2.103 1.00 0.00 C ATOM 1325 O LYS A 80 4.544 2.877 2.057 1.00 0.00 O ATOM 1326 CB LYS A 80 6.042 1.074 4.329 1.00 0.00 C ATOM 1327 CG LYS A 80 5.610 2.238 5.212 1.00 0.00 C ATOM 1328 CD LYS A 80 6.781 2.842 5.975 1.00 0.00 C ATOM 1329 CE LYS A 80 7.586 1.790 6.722 1.00 0.00 C ATOM 1330 NZ LYS A 80 8.791 2.382 7.361 1.00 0.00 N ATOM 0 H LYS A 80 6.098 -1.019 3.003 1.00 0.00 H new ATOM 0 HA LYS A 80 4.071 0.833 3.523 1.00 0.00 H new ATOM 0 HB2 LYS A 80 6.108 0.172 4.937 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.042 1.273 3.943 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.144 3.007 4.596 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.855 1.895 5.919 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.433 3.369 5.278 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.408 3.582 6.683 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.961 1.324 7.483 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.888 1.003 6.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.319 1.639 7.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 9.399 2.805 6.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.500 3.116 8.037 1.00 0.00 H new ATOM 1344 N GLN A 81 6.295 1.714 1.250 1.00 0.00 N ATOM 1345 CA GLN A 81 6.585 2.664 0.183 1.00 0.00 C ATOM 1346 C GLN A 81 5.423 2.737 -0.802 1.00 0.00 C ATOM 1347 O GLN A 81 5.006 3.829 -1.198 1.00 0.00 O ATOM 1348 CB GLN A 81 7.873 2.280 -0.549 1.00 0.00 C ATOM 1349 CG GLN A 81 8.254 3.244 -1.664 1.00 0.00 C ATOM 1350 CD GLN A 81 8.532 4.648 -1.157 1.00 0.00 C ATOM 1351 OE1 GLN A 81 9.668 4.984 -0.822 1.00 0.00 O ATOM 1352 NE2 GLN A 81 7.499 5.476 -1.106 1.00 0.00 N ATOM 0 H GLN A 81 6.922 0.910 1.279 1.00 0.00 H new ATOM 0 HA GLN A 81 6.722 3.647 0.634 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.689 2.231 0.172 1.00 0.00 H new ATOM 0 HB3 GLN A 81 7.758 1.281 -0.968 1.00 0.00 H new ATOM 0 HG2 GLN A 81 9.138 2.867 -2.178 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.449 3.280 -2.398 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.574 5.156 -1.393 1.00 0.00 H new ATOM 0 HE22 GLN A 81 7.629 6.434 -0.779 1.00 0.00 H new ATOM 1361 N TYR A 82 4.904 1.574 -1.195 1.00 0.00 N ATOM 1362 CA TYR A 82 3.749 1.522 -2.086 1.00 0.00 C ATOM 1363 C TYR A 82 2.577 2.246 -1.442 1.00 0.00 C ATOM 1364 O TYR A 82 1.931 3.089 -2.063 1.00 0.00 O ATOM 1365 CB TYR A 82 3.332 0.077 -2.391 1.00 0.00 C ATOM 1366 CG TYR A 82 4.462 -0.842 -2.794 1.00 0.00 C ATOM 1367 CD1 TYR A 82 5.474 -0.422 -3.650 1.00 0.00 C ATOM 1368 CD2 TYR A 82 4.512 -2.140 -2.308 1.00 0.00 C ATOM 1369 CE1 TYR A 82 6.502 -1.275 -4.008 1.00 0.00 C ATOM 1370 CE2 TYR A 82 5.535 -2.997 -2.660 1.00 0.00 C ATOM 1371 CZ TYR A 82 6.525 -2.561 -3.507 1.00 0.00 C ATOM 1372 OH TYR A 82 7.543 -3.416 -3.854 1.00 0.00 O ATOM 0 H TYR A 82 5.263 0.662 -0.912 1.00 0.00 H new ATOM 0 HA TYR A 82 4.031 2.004 -3.022 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.843 -0.338 -1.510 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.591 0.090 -3.190 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.457 0.585 -4.041 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.736 -2.487 -1.642 1.00 0.00 H new ATOM 0 HE1 TYR A 82 7.281 -0.937 -4.675 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.557 -4.005 -2.272 1.00 0.00 H new ATOM 0 HH TYR A 82 8.377 -3.119 -3.434 1.00 0.00 H new ATOM 1382 N ALA A 83 2.331 1.919 -0.177 1.00 0.00 N ATOM 1383 CA ALA A 83 1.253 2.528 0.583 1.00 0.00 C ATOM 1384 C ALA A 83 1.421 4.040 0.655 1.00 0.00 C ATOM 1385 O ALA A 83 0.468 4.778 0.448 1.00 0.00 O ATOM 1386 CB ALA A 83 1.184 1.931 1.981 1.00 0.00 C ATOM 0 H ALA A 83 2.871 1.229 0.344 1.00 0.00 H new ATOM 0 HA ALA A 83 0.315 2.317 0.068 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.371 2.399 2.537 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.005 0.858 1.910 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.126 2.108 2.499 1.00 0.00 H new ATOM 1392 N THR A 84 2.642 4.494 0.930 1.00 0.00 N ATOM 1393 CA THR A 84 2.930 5.922 1.028 1.00 0.00 C ATOM 1394 C THR A 84 2.582 6.647 -0.277 1.00 0.00 C ATOM 1395 O THR A 84 2.105 7.786 -0.258 1.00 0.00 O ATOM 1396 CB THR A 84 4.412 6.173 1.384 1.00 0.00 C ATOM 1397 OG1 THR A 84 4.766 5.445 2.569 1.00 0.00 O ATOM 1398 CG2 THR A 84 4.672 7.655 1.616 1.00 0.00 C ATOM 0 H THR A 84 3.449 3.891 1.089 1.00 0.00 H new ATOM 0 HA THR A 84 2.307 6.321 1.829 1.00 0.00 H new ATOM 0 HB THR A 84 5.020 5.832 0.546 1.00 0.00 H new ATOM 0 HG1 THR A 84 5.075 4.548 2.322 1.00 0.00 H new ATOM 0 HG21 THR A 84 5.722 7.805 1.865 1.00 0.00 H new ATOM 0 HG22 THR A 84 4.430 8.213 0.711 1.00 0.00 H new ATOM 0 HG23 THR A 84 4.050 8.009 2.438 1.00 0.00 H new ATOM 1406 N ALA A 85 2.804 5.978 -1.402 1.00 0.00 N ATOM 1407 CA ALA A 85 2.452 6.536 -2.698 1.00 0.00 C ATOM 1408 C ALA A 85 0.937 6.610 -2.850 1.00 0.00 C ATOM 1409 O ALA A 85 0.401 7.592 -3.367 1.00 0.00 O ATOM 1410 CB ALA A 85 3.069 5.711 -3.818 1.00 0.00 C ATOM 0 H ALA A 85 3.226 5.050 -1.441 1.00 0.00 H new ATOM 0 HA ALA A 85 2.852 7.548 -2.762 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.796 6.143 -4.781 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.154 5.712 -3.715 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.700 4.687 -3.761 1.00 0.00 H new ATOM 1416 N ILE A 86 0.253 5.570 -2.381 1.00 0.00 N ATOM 1417 CA ILE A 86 -1.206 5.540 -2.391 1.00 0.00 C ATOM 1418 C ILE A 86 -1.761 6.623 -1.466 1.00 0.00 C ATOM 1419 O ILE A 86 -2.784 7.240 -1.760 1.00 0.00 O ATOM 1420 CB ILE A 86 -1.750 4.161 -1.949 1.00 0.00 C ATOM 1421 CG1 ILE A 86 -1.172 3.052 -2.832 1.00 0.00 C ATOM 1422 CG2 ILE A 86 -3.274 4.142 -2.003 1.00 0.00 C ATOM 1423 CD1 ILE A 86 -1.577 1.657 -2.407 1.00 0.00 C ATOM 0 H ILE A 86 0.687 4.735 -1.988 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.531 5.725 -3.415 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.440 3.984 -0.919 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.493 3.216 -3.861 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.084 3.123 -2.822 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.637 3.164 -1.689 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.671 4.908 -1.337 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.604 4.341 -3.022 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.128 0.927 -3.081 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.232 1.472 -1.390 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.663 1.566 -2.444 1.00 0.00 H new ATOM 1435 N MET A 87 -1.067 6.851 -0.356 1.00 0.00 N ATOM 1436 CA MET A 87 -1.456 7.884 0.601 1.00 0.00 C ATOM 1437 C MET A 87 -1.492 9.247 -0.073 1.00 0.00 C ATOM 1438 O MET A 87 -2.466 9.985 0.057 1.00 0.00 O ATOM 1439 CB MET A 87 -0.485 7.938 1.783 1.00 0.00 C ATOM 1440 CG MET A 87 -0.350 6.637 2.544 1.00 0.00 C ATOM 1441 SD MET A 87 -1.903 6.041 3.225 1.00 0.00 S ATOM 1442 CE MET A 87 -1.379 4.426 3.785 1.00 0.00 C ATOM 0 H MET A 87 -0.228 6.332 -0.095 1.00 0.00 H new ATOM 0 HA MET A 87 -2.450 7.630 0.970 1.00 0.00 H new ATOM 0 HB2 MET A 87 0.498 8.233 1.416 1.00 0.00 H new ATOM 0 HB3 MET A 87 -0.815 8.715 2.473 1.00 0.00 H new ATOM 0 HG2 MET A 87 0.062 5.877 1.879 1.00 0.00 H new ATOM 0 HG3 MET A 87 0.365 6.772 3.355 1.00 0.00 H new ATOM 0 HE1 MET A 87 -2.040 4.085 4.582 1.00 0.00 H new ATOM 0 HE2 MET A 87 -1.420 3.722 2.954 1.00 0.00 H new ATOM 0 HE3 MET A 87 -0.357 4.485 4.161 1.00 0.00 H new ATOM 1452 N ARG A 88 -0.430 9.569 -0.810 1.00 0.00 N ATOM 1453 CA ARG A 88 -0.354 10.846 -1.509 1.00 0.00 C ATOM 1454 C ARG A 88 -1.440 10.928 -2.577 1.00 0.00 C ATOM 1455 O ARG A 88 -2.027 11.987 -2.801 1.00 0.00 O ATOM 1456 CB ARG A 88 1.032 11.051 -2.134 1.00 0.00 C ATOM 1457 CG ARG A 88 1.156 12.363 -2.896 1.00 0.00 C ATOM 1458 CD ARG A 88 2.600 12.700 -3.240 1.00 0.00 C ATOM 1459 NE ARG A 88 3.230 11.718 -4.129 1.00 0.00 N ATOM 1460 CZ ARG A 88 3.193 11.785 -5.464 1.00 0.00 C ATOM 1461 NH1 ARG A 88 2.389 12.655 -6.071 1.00 0.00 N ATOM 1462 NH2 ARG A 88 3.936 10.962 -6.197 1.00 0.00 N ATOM 0 H ARG A 88 0.383 8.966 -0.937 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.515 11.642 -0.783 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.786 11.022 -1.348 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.245 10.223 -2.811 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.571 12.304 -3.814 1.00 0.00 H new ATOM 0 HG3 ARG A 88 0.730 13.169 -2.298 1.00 0.00 H new ATOM 0 HD2 ARG A 88 2.634 13.682 -3.713 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.179 12.770 -2.319 1.00 0.00 H new ATOM 0 HE ARG A 88 3.727 10.936 -3.703 1.00 0.00 H new ATOM 0 HH11 ARG A 88 1.797 13.275 -5.518 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.365 12.702 -7.090 1.00 0.00 H new ATOM 0 HH21 ARG A 88 4.538 10.276 -5.741 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.905 11.017 -7.215 1.00 0.00 H new ATOM 1476 N TYR A 89 -1.710 9.799 -3.218 1.00 0.00 N ATOM 1477 CA TYR A 89 -2.789 9.709 -4.192 1.00 0.00 C ATOM 1478 C TYR A 89 -4.123 10.021 -3.513 1.00 0.00 C ATOM 1479 O TYR A 89 -4.945 10.765 -4.043 1.00 0.00 O ATOM 1480 CB TYR A 89 -2.811 8.307 -4.813 1.00 0.00 C ATOM 1481 CG TYR A 89 -3.816 8.134 -5.933 1.00 0.00 C ATOM 1482 CD1 TYR A 89 -3.470 8.399 -7.252 1.00 0.00 C ATOM 1483 CD2 TYR A 89 -5.108 7.697 -5.670 1.00 0.00 C ATOM 1484 CE1 TYR A 89 -4.384 8.238 -8.276 1.00 0.00 C ATOM 1485 CE2 TYR A 89 -6.026 7.533 -6.687 1.00 0.00 C ATOM 1486 CZ TYR A 89 -5.660 7.804 -7.987 1.00 0.00 C ATOM 1487 OH TYR A 89 -6.577 7.649 -9.002 1.00 0.00 O ATOM 0 H TYR A 89 -1.194 8.930 -3.080 1.00 0.00 H new ATOM 0 HA TYR A 89 -2.625 10.437 -4.987 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -1.816 8.077 -5.195 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.028 7.580 -4.031 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.470 8.736 -7.481 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -5.399 7.482 -4.652 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.100 8.451 -9.296 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.027 7.194 -6.465 1.00 0.00 H new ATOM 0 HH TYR A 89 -6.111 7.414 -9.831 1.00 0.00 H new ATOM 1497 N ALA A 90 -4.312 9.461 -2.322 1.00 0.00 N ATOM 1498 CA ALA A 90 -5.522 9.688 -1.541 1.00 0.00 C ATOM 1499 C ALA A 90 -5.635 11.145 -1.101 1.00 0.00 C ATOM 1500 O ALA A 90 -6.731 11.701 -1.056 1.00 0.00 O ATOM 1501 CB ALA A 90 -5.551 8.764 -0.332 1.00 0.00 C ATOM 0 H ALA A 90 -3.636 8.842 -1.874 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.379 9.465 -2.177 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.460 8.944 0.242 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.533 7.727 -0.666 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.681 8.958 0.295 1.00 0.00 H new ATOM 1507 N VAL A 91 -4.501 11.756 -0.769 1.00 0.00 N ATOM 1508 CA VAL A 91 -4.471 13.172 -0.407 1.00 0.00 C ATOM 1509 C VAL A 91 -4.922 14.032 -1.585 1.00 0.00 C ATOM 1510 O VAL A 91 -5.759 14.927 -1.436 1.00 0.00 O ATOM 1511 CB VAL A 91 -3.057 13.620 0.034 1.00 0.00 C ATOM 1512 CG1 VAL A 91 -3.013 15.122 0.286 1.00 0.00 C ATOM 1513 CG2 VAL A 91 -2.616 12.864 1.276 1.00 0.00 C ATOM 0 H VAL A 91 -3.592 11.295 -0.743 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.154 13.304 0.432 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.366 13.389 -0.777 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.008 15.410 0.595 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.278 15.652 -0.629 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.722 15.380 1.073 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.619 13.195 1.568 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.316 13.059 2.088 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.596 11.795 1.063 1.00 0.00 H new ATOM 1523 N GLN A 92 -4.376 13.738 -2.757 1.00 0.00 N ATOM 1524 CA GLN A 92 -4.695 14.484 -3.966 1.00 0.00 C ATOM 1525 C GLN A 92 -6.133 14.225 -4.413 1.00 0.00 C ATOM 1526 O GLN A 92 -6.774 15.100 -4.993 1.00 0.00 O ATOM 1527 CB GLN A 92 -3.713 14.120 -5.081 1.00 0.00 C ATOM 1528 CG GLN A 92 -2.291 14.583 -4.799 1.00 0.00 C ATOM 1529 CD GLN A 92 -1.295 14.110 -5.838 1.00 0.00 C ATOM 1530 OE1 GLN A 92 -0.115 13.917 -5.542 1.00 0.00 O ATOM 1531 NE2 GLN A 92 -1.756 13.920 -7.064 1.00 0.00 N ATOM 0 H GLN A 92 -3.705 12.982 -2.896 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.602 15.547 -3.745 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -3.716 13.039 -5.221 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -4.054 14.563 -6.017 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -2.272 15.672 -4.755 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -1.984 14.219 -3.818 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -2.740 14.090 -7.271 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.127 13.603 -7.802 1.00 0.00 H new ATOM 1540 N GLN A 93 -6.637 13.028 -4.129 1.00 0.00 N ATOM 1541 CA GLN A 93 -8.016 12.679 -4.459 1.00 0.00 C ATOM 1542 C GLN A 93 -8.972 13.192 -3.375 1.00 0.00 C ATOM 1543 O GLN A 93 -10.188 13.025 -3.473 1.00 0.00 O ATOM 1544 CB GLN A 93 -8.156 11.160 -4.615 1.00 0.00 C ATOM 1545 CG GLN A 93 -9.490 10.721 -5.200 1.00 0.00 C ATOM 1546 CD GLN A 93 -9.641 9.214 -5.259 1.00 0.00 C ATOM 1547 OE1 GLN A 93 -8.665 8.485 -5.405 1.00 0.00 O ATOM 1548 NE2 GLN A 93 -10.868 8.738 -5.136 1.00 0.00 N ATOM 0 H GLN A 93 -6.112 12.283 -3.671 1.00 0.00 H new ATOM 0 HA GLN A 93 -8.277 13.154 -5.405 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -7.352 10.795 -5.254 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -8.026 10.691 -3.640 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -10.299 11.139 -4.601 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -9.593 11.131 -6.205 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -11.654 9.378 -5.016 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -11.029 7.731 -5.161 1.00 0.00 H new ATOM 1557 N LYS A 94 -8.400 13.812 -2.344 1.00 0.00 N ATOM 1558 CA LYS A 94 -9.170 14.391 -1.241 1.00 0.00 C ATOM 1559 C LYS A 94 -9.915 13.325 -0.449 1.00 0.00 C ATOM 1560 O LYS A 94 -11.041 13.542 -0.002 1.00 0.00 O ATOM 1561 CB LYS A 94 -10.159 15.443 -1.750 1.00 0.00 C ATOM 1562 CG LYS A 94 -9.498 16.710 -2.255 1.00 0.00 C ATOM 1563 CD LYS A 94 -10.523 17.803 -2.492 1.00 0.00 C ATOM 1564 CE LYS A 94 -9.858 19.132 -2.799 1.00 0.00 C ATOM 1565 NZ LYS A 94 -10.835 20.250 -2.775 1.00 0.00 N ATOM 0 H LYS A 94 -7.391 13.928 -2.249 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.453 14.871 -0.576 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.754 15.010 -2.554 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -10.848 15.700 -0.945 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.758 17.052 -1.531 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.964 16.501 -3.182 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -11.173 17.520 -3.320 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -11.156 17.907 -1.611 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.069 19.322 -2.071 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.383 19.084 -3.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -10.346 21.143 -2.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -11.574 20.081 -3.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.270 20.311 -1.832 1.00 0.00 H new ATOM 1579 N MET A 95 -9.288 12.178 -0.262 1.00 0.00 N ATOM 1580 CA MET A 95 -9.875 11.136 0.563 1.00 0.00 C ATOM 1581 C MET A 95 -9.368 11.264 1.990 1.00 0.00 C ATOM 1582 O MET A 95 -10.077 10.955 2.946 1.00 0.00 O ATOM 1583 CB MET A 95 -9.548 9.746 0.025 1.00 0.00 C ATOM 1584 CG MET A 95 -9.878 9.556 -1.443 1.00 0.00 C ATOM 1585 SD MET A 95 -10.109 7.822 -1.871 1.00 0.00 S ATOM 1586 CE MET A 95 -8.632 7.087 -1.176 1.00 0.00 C ATOM 0 H MET A 95 -8.381 11.945 -0.666 1.00 0.00 H new ATOM 0 HA MET A 95 -10.958 11.261 0.542 1.00 0.00 H new ATOM 0 HB2 MET A 95 -8.486 9.550 0.176 1.00 0.00 H new ATOM 0 HB3 MET A 95 -10.095 9.005 0.608 1.00 0.00 H new ATOM 0 HG2 MET A 95 -10.784 10.112 -1.685 1.00 0.00 H new ATOM 0 HG3 MET A 95 -9.076 9.975 -2.051 1.00 0.00 H new ATOM 0 HE1 MET A 95 -8.628 6.016 -1.380 1.00 0.00 H new ATOM 0 HE2 MET A 95 -7.751 7.545 -1.626 1.00 0.00 H new ATOM 0 HE3 MET A 95 -8.616 7.251 -0.099 1.00 0.00 H new ATOM 1596 N ILE A 96 -8.129 11.720 2.119 1.00 0.00 N ATOM 1597 CA ILE A 96 -7.527 11.968 3.419 1.00 0.00 C ATOM 1598 C ILE A 96 -6.894 13.353 3.427 1.00 0.00 C ATOM 1599 O ILE A 96 -6.935 14.063 2.420 1.00 0.00 O ATOM 1600 CB ILE A 96 -6.459 10.909 3.786 1.00 0.00 C ATOM 1601 CG1 ILE A 96 -5.357 10.855 2.724 1.00 0.00 C ATOM 1602 CG2 ILE A 96 -7.101 9.541 3.966 1.00 0.00 C ATOM 1603 CD1 ILE A 96 -4.225 9.908 3.068 1.00 0.00 C ATOM 0 H ILE A 96 -7.517 11.927 1.329 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.319 11.905 4.165 1.00 0.00 H new ATOM 0 HB ILE A 96 -6.002 11.200 4.732 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.796 10.552 1.773 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -4.951 11.857 2.583 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -6.334 8.810 4.224 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -7.840 9.588 4.766 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.589 9.243 3.038 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -3.483 9.923 2.270 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.760 10.222 4.002 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -4.617 8.897 3.179 1.00 0.00 H new ATOM 1615 N ARG A 97 -6.307 13.734 4.550 1.00 0.00 N ATOM 1616 CA ARG A 97 -5.692 15.045 4.676 1.00 0.00 C ATOM 1617 C ARG A 97 -4.214 14.964 4.338 1.00 0.00 C ATOM 1618 O ARG A 97 -3.725 15.669 3.457 1.00 0.00 O ATOM 1619 CB ARG A 97 -5.870 15.590 6.092 1.00 0.00 C ATOM 1620 CG ARG A 97 -7.318 15.780 6.497 1.00 0.00 C ATOM 1621 CD ARG A 97 -7.430 16.233 7.940 1.00 0.00 C ATOM 1622 NE ARG A 97 -8.820 16.377 8.362 1.00 0.00 N ATOM 1623 CZ ARG A 97 -9.285 15.965 9.536 1.00 0.00 C ATOM 1624 NH1 ARG A 97 -8.479 15.361 10.406 1.00 0.00 N ATOM 1625 NH2 ARG A 97 -10.559 16.155 9.847 1.00 0.00 N ATOM 0 H ARG A 97 -6.244 13.154 5.387 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.183 15.722 3.977 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.392 14.909 6.796 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -5.352 16.546 6.171 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.787 16.517 5.845 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -7.861 14.844 6.364 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -6.928 15.513 8.586 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -6.914 17.185 8.062 1.00 0.00 H new ATOM 0 HE ARG A 97 -9.473 16.821 7.717 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.497 15.212 10.173 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -8.843 15.047 11.306 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -11.182 16.617 9.185 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -10.917 15.839 10.748 1.00 0.00 H new ATOM 1639 N PHE A 98 -3.511 14.092 5.036 1.00 0.00 N ATOM 1640 CA PHE A 98 -2.086 13.918 4.828 1.00 0.00 C ATOM 1641 C PHE A 98 -1.700 12.487 5.165 1.00 0.00 C ATOM 1642 O PHE A 98 -2.448 11.790 5.851 1.00 0.00 O ATOM 1643 CB PHE A 98 -1.301 14.909 5.694 1.00 0.00 C ATOM 1644 CG PHE A 98 0.152 15.028 5.326 1.00 0.00 C ATOM 1645 CD1 PHE A 98 0.528 15.617 4.130 1.00 0.00 C ATOM 1646 CD2 PHE A 98 1.139 14.558 6.176 1.00 0.00 C ATOM 1647 CE1 PHE A 98 1.860 15.733 3.787 1.00 0.00 C ATOM 1648 CE2 PHE A 98 2.474 14.671 5.836 1.00 0.00 C ATOM 1649 CZ PHE A 98 2.834 15.260 4.641 1.00 0.00 C ATOM 0 H PHE A 98 -3.907 13.489 5.757 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.843 14.114 3.784 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.766 15.892 5.616 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -1.377 14.603 6.737 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.230 15.990 3.458 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.863 14.099 7.114 1.00 0.00 H new ATOM 0 HE1 PHE A 98 2.139 16.194 2.851 1.00 0.00 H new ATOM 0 HE2 PHE A 98 3.235 14.298 6.505 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.877 15.350 4.375 1.00 0.00 H new ATOM 1659 N ASN A 99 -0.547 12.051 4.673 1.00 0.00 N ATOM 1660 CA ASN A 99 -0.069 10.691 4.901 1.00 0.00 C ATOM 1661 C ASN A 99 0.085 10.405 6.392 1.00 0.00 C ATOM 1662 O ASN A 99 0.915 11.018 7.064 1.00 0.00 O ATOM 1663 CB ASN A 99 1.286 10.464 4.216 1.00 0.00 C ATOM 1664 CG ASN A 99 1.251 10.645 2.711 1.00 0.00 C ATOM 1665 OD1 ASN A 99 0.509 11.466 2.182 1.00 0.00 O ATOM 1666 ND2 ASN A 99 2.060 9.866 2.007 1.00 0.00 N ATOM 0 H ASN A 99 0.080 12.624 4.109 1.00 0.00 H new ATOM 0 HA ASN A 99 -0.812 10.016 4.477 1.00 0.00 H new ATOM 0 HB2 ASN A 99 2.016 11.155 4.638 1.00 0.00 H new ATOM 0 HB3 ASN A 99 1.633 9.456 4.443 1.00 0.00 H new ATOM 0 HD21 ASN A 99 2.080 9.938 0.990 1.00 0.00 H new ATOM 0 HD22 ASN A 99 2.663 9.195 2.483 1.00 0.00 H new ATOM 1673 N PRO A 100 -0.710 9.470 6.935 1.00 0.00 N ATOM 1674 CA PRO A 100 -0.585 9.050 8.331 1.00 0.00 C ATOM 1675 C PRO A 100 0.697 8.253 8.551 1.00 0.00 C ATOM 1676 O PRO A 100 1.197 8.138 9.668 1.00 0.00 O ATOM 1677 CB PRO A 100 -1.819 8.163 8.567 1.00 0.00 C ATOM 1678 CG PRO A 100 -2.708 8.387 7.386 1.00 0.00 C ATOM 1679 CD PRO A 100 -1.801 8.764 6.250 1.00 0.00 C ATOM 0 HA PRO A 100 -0.536 9.897 9.015 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -1.537 7.114 8.652 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.324 8.433 9.494 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -3.276 7.487 7.149 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -3.431 9.177 7.587 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -1.441 7.888 5.710 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.304 9.402 5.524 1.00 0.00 H new ATOM 1687 N ALA A 101 1.232 7.720 7.461 1.00 0.00 N ATOM 1688 CA ALA A 101 2.462 6.943 7.501 1.00 0.00 C ATOM 1689 C ALA A 101 3.670 7.815 7.161 1.00 0.00 C ATOM 1690 O ALA A 101 4.746 7.313 6.848 1.00 0.00 O ATOM 1691 CB ALA A 101 2.366 5.769 6.537 1.00 0.00 C ATOM 0 H ALA A 101 0.828 7.814 6.529 1.00 0.00 H new ATOM 0 HA ALA A 101 2.597 6.561 8.513 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.290 5.192 6.573 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.529 5.131 6.822 1.00 0.00 H new ATOM 0 HB3 ALA A 101 2.210 6.141 5.525 1.00 0.00 H new ATOM 1697 N TYR A 102 3.482 9.125 7.228 1.00 0.00 N ATOM 1698 CA TYR A 102 4.555 10.067 6.936 1.00 0.00 C ATOM 1699 C TYR A 102 5.231 10.508 8.230 1.00 0.00 C ATOM 1700 O TYR A 102 6.459 10.537 8.326 1.00 0.00 O ATOM 1701 CB TYR A 102 3.988 11.283 6.196 1.00 0.00 C ATOM 1702 CG TYR A 102 5.029 12.218 5.614 1.00 0.00 C ATOM 1703 CD1 TYR A 102 5.636 13.196 6.393 1.00 0.00 C ATOM 1704 CD2 TYR A 102 5.390 12.130 4.276 1.00 0.00 C ATOM 1705 CE1 TYR A 102 6.574 14.058 5.855 1.00 0.00 C ATOM 1706 CE2 TYR A 102 6.329 12.986 3.731 1.00 0.00 C ATOM 1707 CZ TYR A 102 6.916 13.949 4.524 1.00 0.00 C ATOM 1708 OH TYR A 102 7.849 14.806 3.983 1.00 0.00 O ATOM 0 H TYR A 102 2.596 9.561 7.482 1.00 0.00 H new ATOM 0 HA TYR A 102 5.296 9.579 6.303 1.00 0.00 H new ATOM 0 HB2 TYR A 102 3.345 10.932 5.389 1.00 0.00 H new ATOM 0 HB3 TYR A 102 3.358 11.847 6.884 1.00 0.00 H new ATOM 0 HD1 TYR A 102 5.371 13.284 7.436 1.00 0.00 H new ATOM 0 HD2 TYR A 102 4.929 11.380 3.650 1.00 0.00 H new ATOM 0 HE1 TYR A 102 7.036 14.813 6.474 1.00 0.00 H new ATOM 0 HE2 TYR A 102 6.601 12.901 2.689 1.00 0.00 H new ATOM 0 HH TYR A 102 7.976 14.594 3.035 1.00 0.00 H new ATOM 1718 N ASP A 103 4.411 10.808 9.233 1.00 0.00 N ATOM 1719 CA ASP A 103 4.890 11.366 10.498 1.00 0.00 C ATOM 1720 C ASP A 103 5.619 10.339 11.355 1.00 0.00 C ATOM 1721 O ASP A 103 6.127 10.671 12.427 1.00 0.00 O ATOM 1722 CB ASP A 103 3.725 11.955 11.293 1.00 0.00 C ATOM 1723 CG ASP A 103 3.335 13.338 10.818 1.00 0.00 C ATOM 1724 OD1 ASP A 103 2.537 13.446 9.865 1.00 0.00 O ATOM 1725 OD2 ASP A 103 3.823 14.328 11.407 1.00 0.00 O ATOM 0 H ASP A 103 3.401 10.673 9.195 1.00 0.00 H new ATOM 0 HA ASP A 103 5.604 12.149 10.243 1.00 0.00 H new ATOM 0 HB2 ASP A 103 2.864 11.292 11.214 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.996 12.000 12.348 1.00 0.00 H new ATOM 1730 N LEU A 104 5.668 9.096 10.899 1.00 0.00 N ATOM 1731 CA LEU A 104 6.382 8.062 11.631 1.00 0.00 C ATOM 1732 C LEU A 104 7.883 8.154 11.373 1.00 0.00 C ATOM 1733 O LEU A 104 8.689 7.612 12.130 1.00 0.00 O ATOM 1734 CB LEU A 104 5.837 6.665 11.294 1.00 0.00 C ATOM 1735 CG LEU A 104 5.634 6.344 9.805 1.00 0.00 C ATOM 1736 CD1 LEU A 104 6.958 6.100 9.095 1.00 0.00 C ATOM 1737 CD2 LEU A 104 4.723 5.137 9.654 1.00 0.00 C ATOM 0 H LEU A 104 5.227 8.782 10.035 1.00 0.00 H new ATOM 0 HA LEU A 104 6.217 8.226 12.696 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.518 5.924 11.712 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.881 6.541 11.802 1.00 0.00 H new ATOM 0 HG LEU A 104 5.166 7.210 9.337 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.772 5.876 8.045 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.581 6.991 9.171 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.470 5.258 9.560 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.584 4.916 8.596 1.00 0.00 H new ATOM 0 HD22 LEU A 104 5.174 4.277 10.148 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.756 5.351 10.110 1.00 0.00 H new ATOM 1749 N GLU A 105 8.256 8.849 10.304 1.00 0.00 N ATOM 1750 CA GLU A 105 9.658 9.075 10.006 1.00 0.00 C ATOM 1751 C GLU A 105 10.164 10.241 10.843 1.00 0.00 C ATOM 1752 O GLU A 105 9.930 11.407 10.521 1.00 0.00 O ATOM 1753 CB GLU A 105 9.868 9.350 8.516 1.00 0.00 C ATOM 1754 CG GLU A 105 11.329 9.541 8.144 1.00 0.00 C ATOM 1755 CD GLU A 105 11.528 9.811 6.673 1.00 0.00 C ATOM 1756 OE1 GLU A 105 11.187 10.915 6.216 1.00 0.00 O ATOM 1757 OE2 GLU A 105 12.053 8.927 5.967 1.00 0.00 O ATOM 0 H GLU A 105 7.607 9.262 9.634 1.00 0.00 H new ATOM 0 HA GLU A 105 10.223 8.176 10.255 1.00 0.00 H new ATOM 0 HB2 GLU A 105 9.458 8.521 7.939 1.00 0.00 H new ATOM 0 HB3 GLU A 105 9.308 10.242 8.235 1.00 0.00 H new ATOM 0 HG2 GLU A 105 11.740 10.370 8.720 1.00 0.00 H new ATOM 0 HG3 GLU A 105 11.890 8.649 8.424 1.00 0.00 H new ATOM 1764 N GLY A 106 10.838 9.908 11.928 1.00 0.00 N ATOM 1765 CA GLY A 106 11.252 10.907 12.887 1.00 0.00 C ATOM 1766 C GLY A 106 10.748 10.564 14.269 1.00 0.00 C ATOM 1767 O GLY A 106 11.114 11.203 15.256 1.00 0.00 O ATOM 0 H GLY A 106 11.109 8.953 12.164 1.00 0.00 H new ATOM 0 HA2 GLY A 106 12.340 10.978 12.899 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.872 11.884 12.588 1.00 0.00 H new ATOM 1771 N ALA A 107 9.901 9.545 14.334 1.00 0.00 N ATOM 1772 CA ALA A 107 9.388 9.055 15.602 1.00 0.00 C ATOM 1773 C ALA A 107 10.433 8.183 16.285 1.00 0.00 C ATOM 1774 O ALA A 107 10.935 7.224 15.695 1.00 0.00 O ATOM 1775 CB ALA A 107 8.096 8.277 15.390 1.00 0.00 C ATOM 0 H ALA A 107 9.555 9.041 13.518 1.00 0.00 H new ATOM 0 HA ALA A 107 9.170 9.907 16.245 1.00 0.00 H new ATOM 0 HB1 ALA A 107 7.726 7.917 16.350 1.00 0.00 H new ATOM 0 HB2 ALA A 107 7.350 8.928 14.934 1.00 0.00 H new ATOM 0 HB3 ALA A 107 8.286 7.428 14.733 1.00 0.00 H new ATOM 1781 N VAL A 108 10.743 8.503 17.535 1.00 0.00 N ATOM 1782 CA VAL A 108 11.791 7.802 18.279 1.00 0.00 C ATOM 1783 C VAL A 108 11.369 6.380 18.656 1.00 0.00 C ATOM 1784 O VAL A 108 12.111 5.653 19.319 1.00 0.00 O ATOM 1785 CB VAL A 108 12.186 8.573 19.558 1.00 0.00 C ATOM 1786 CG1 VAL A 108 12.797 9.919 19.202 1.00 0.00 C ATOM 1787 CG2 VAL A 108 10.982 8.758 20.472 1.00 0.00 C ATOM 0 H VAL A 108 10.283 9.247 18.060 1.00 0.00 H new ATOM 0 HA VAL A 108 12.654 7.745 17.615 1.00 0.00 H new ATOM 0 HB VAL A 108 12.932 7.985 20.093 1.00 0.00 H new ATOM 0 HG11 VAL A 108 13.069 10.448 20.115 1.00 0.00 H new ATOM 0 HG12 VAL A 108 13.688 9.765 18.593 1.00 0.00 H new ATOM 0 HG13 VAL A 108 12.073 10.511 18.642 1.00 0.00 H new ATOM 0 HG21 VAL A 108 11.284 9.303 21.366 1.00 0.00 H new ATOM 0 HG22 VAL A 108 10.210 9.321 19.947 1.00 0.00 H new ATOM 0 HG23 VAL A 108 10.589 7.782 20.758 1.00 0.00 H new ATOM 1797 N GLN A 109 10.181 5.988 18.216 1.00 0.00 N ATOM 1798 CA GLN A 109 9.658 4.657 18.483 1.00 0.00 C ATOM 1799 C GLN A 109 10.479 3.597 17.752 1.00 0.00 C ATOM 1800 O GLN A 109 10.662 2.488 18.249 1.00 0.00 O ATOM 1801 CB GLN A 109 8.194 4.574 18.053 1.00 0.00 C ATOM 1802 CG GLN A 109 7.314 5.640 18.687 1.00 0.00 C ATOM 1803 CD GLN A 109 5.867 5.541 18.248 1.00 0.00 C ATOM 1804 OE1 GLN A 109 5.568 5.092 17.140 1.00 0.00 O ATOM 1805 NE2 GLN A 109 4.960 5.971 19.108 1.00 0.00 N ATOM 0 H GLN A 109 9.557 6.580 17.668 1.00 0.00 H new ATOM 0 HA GLN A 109 9.727 4.468 19.554 1.00 0.00 H new ATOM 0 HB2 GLN A 109 8.137 4.665 16.968 1.00 0.00 H new ATOM 0 HB3 GLN A 109 7.803 3.590 18.312 1.00 0.00 H new ATOM 0 HG2 GLN A 109 7.367 5.551 19.772 1.00 0.00 H new ATOM 0 HG3 GLN A 109 7.701 6.626 18.429 1.00 0.00 H new ATOM 0 HE21 GLN A 109 5.250 6.335 20.015 1.00 0.00 H new ATOM 0 HE22 GLN A 109 3.970 5.938 18.864 1.00 0.00 H new ATOM 1814 N LYS A 110 10.973 3.944 16.569 1.00 0.00 N ATOM 1815 CA LYS A 110 11.806 3.029 15.799 1.00 0.00 C ATOM 1816 C LYS A 110 13.157 3.681 15.516 1.00 0.00 C ATOM 1817 O LYS A 110 13.851 3.347 14.558 1.00 0.00 O ATOM 1818 CB LYS A 110 11.099 2.624 14.499 1.00 0.00 C ATOM 1819 CG LYS A 110 11.239 1.139 14.166 1.00 0.00 C ATOM 1820 CD LYS A 110 12.665 0.772 13.774 1.00 0.00 C ATOM 1821 CE LYS A 110 12.867 -0.733 13.693 1.00 0.00 C ATOM 1822 NZ LYS A 110 12.717 -1.386 15.019 1.00 0.00 N ATOM 0 H LYS A 110 10.812 4.848 16.124 1.00 0.00 H new ATOM 0 HA LYS A 110 11.975 2.121 16.378 1.00 0.00 H new ATOM 0 HB2 LYS A 110 10.041 2.872 14.578 1.00 0.00 H new ATOM 0 HB3 LYS A 110 11.504 3.213 13.676 1.00 0.00 H new ATOM 0 HG2 LYS A 110 10.936 0.544 15.028 1.00 0.00 H new ATOM 0 HG3 LYS A 110 10.562 0.885 13.350 1.00 0.00 H new ATOM 0 HD2 LYS A 110 12.902 1.222 12.810 1.00 0.00 H new ATOM 0 HD3 LYS A 110 13.360 1.192 14.501 1.00 0.00 H new ATOM 0 HE2 LYS A 110 12.146 -1.159 12.995 1.00 0.00 H new ATOM 0 HE3 LYS A 110 13.859 -0.945 13.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 13.150 -2.331 14.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 13.189 -0.810 15.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 11.707 -1.474 15.250 1.00 0.00 H new ATOM 1836 N LEU A 111 13.521 4.619 16.372 1.00 0.00 N ATOM 1837 CA LEU A 111 14.835 5.235 16.318 1.00 0.00 C ATOM 1838 C LEU A 111 15.613 4.855 17.565 1.00 0.00 C ATOM 1839 O LEU A 111 16.059 5.717 18.325 1.00 0.00 O ATOM 1840 CB LEU A 111 14.726 6.759 16.207 1.00 0.00 C ATOM 1841 CG LEU A 111 14.063 7.278 14.929 1.00 0.00 C ATOM 1842 CD1 LEU A 111 14.027 8.798 14.929 1.00 0.00 C ATOM 1843 CD2 LEU A 111 14.796 6.765 13.697 1.00 0.00 C ATOM 0 H LEU A 111 12.921 4.973 17.117 1.00 0.00 H new ATOM 0 HA LEU A 111 15.357 4.874 15.432 1.00 0.00 H new ATOM 0 HB2 LEU A 111 14.164 7.130 17.064 1.00 0.00 H new ATOM 0 HB3 LEU A 111 15.727 7.184 16.275 1.00 0.00 H new ATOM 0 HG LEU A 111 13.039 6.906 14.899 1.00 0.00 H new ATOM 0 HD11 LEU A 111 13.552 9.151 14.013 1.00 0.00 H new ATOM 0 HD12 LEU A 111 13.459 9.148 15.791 1.00 0.00 H new ATOM 0 HD13 LEU A 111 15.044 9.186 14.983 1.00 0.00 H new ATOM 0 HD21 LEU A 111 14.309 7.145 12.799 1.00 0.00 H new ATOM 0 HD22 LEU A 111 15.831 7.107 13.721 1.00 0.00 H new ATOM 0 HD23 LEU A 111 14.774 5.675 13.688 1.00 0.00 H new ATOM 1855 N GLU A 112 15.754 3.553 17.779 1.00 0.00 N ATOM 1856 CA GLU A 112 16.414 3.038 18.967 1.00 0.00 C ATOM 1857 C GLU A 112 17.859 3.510 19.027 1.00 0.00 C ATOM 1858 O GLU A 112 18.514 3.687 17.999 1.00 0.00 O ATOM 1859 CB GLU A 112 16.376 1.505 19.001 1.00 0.00 C ATOM 1860 CG GLU A 112 14.983 0.910 18.856 1.00 0.00 C ATOM 1861 CD GLU A 112 14.622 0.592 17.417 1.00 0.00 C ATOM 1862 OE1 GLU A 112 15.218 1.190 16.500 1.00 0.00 O ATOM 1863 OE2 GLU A 112 13.751 -0.279 17.201 1.00 0.00 O ATOM 0 H GLU A 112 15.417 2.833 17.140 1.00 0.00 H new ATOM 0 HA GLU A 112 15.874 3.422 19.833 1.00 0.00 H new ATOM 0 HB2 GLU A 112 17.008 1.120 18.201 1.00 0.00 H new ATOM 0 HB3 GLU A 112 16.808 1.163 19.941 1.00 0.00 H new ATOM 0 HG2 GLU A 112 14.919 -0.001 19.451 1.00 0.00 H new ATOM 0 HG3 GLU A 112 14.251 1.608 19.263 1.00 0.00 H new ATOM 1870 N HIS A 113 18.347 3.719 20.238 1.00 0.00 N ATOM 1871 CA HIS A 113 19.734 4.114 20.437 1.00 0.00 C ATOM 1872 C HIS A 113 20.610 2.883 20.281 1.00 0.00 C ATOM 1873 O HIS A 113 21.778 2.964 19.904 1.00 0.00 O ATOM 1874 CB HIS A 113 19.927 4.753 21.816 1.00 0.00 C ATOM 1875 CG HIS A 113 19.027 5.929 22.060 1.00 0.00 C ATOM 1876 ND1 HIS A 113 19.374 7.228 21.754 1.00 0.00 N ATOM 1877 CD2 HIS A 113 17.776 5.992 22.576 1.00 0.00 C ATOM 1878 CE1 HIS A 113 18.376 8.034 22.069 1.00 0.00 C ATOM 1879 NE2 HIS A 113 17.393 7.309 22.568 1.00 0.00 N ATOM 0 H HIS A 113 17.806 3.622 21.097 1.00 0.00 H new ATOM 0 HA HIS A 113 20.015 4.861 19.695 1.00 0.00 H new ATOM 0 HB2 HIS A 113 19.747 4.002 22.585 1.00 0.00 H new ATOM 0 HB3 HIS A 113 20.964 5.072 21.919 1.00 0.00 H new ATOM 0 HD2 HIS A 113 17.188 5.158 22.929 1.00 0.00 H new ATOM 0 HE1 HIS A 113 18.366 9.106 21.940 1.00 0.00 H new ATOM 0 HE2 HIS A 113 16.496 7.669 22.894 1.00 0.00 H new ATOM 1888 N HIS A 114 20.013 1.741 20.579 1.00 0.00 N ATOM 1889 CA HIS A 114 20.597 0.447 20.285 1.00 0.00 C ATOM 1890 C HIS A 114 19.567 -0.387 19.545 1.00 0.00 C ATOM 1891 O HIS A 114 18.650 -0.934 20.159 1.00 0.00 O ATOM 1892 CB HIS A 114 21.032 -0.276 21.563 1.00 0.00 C ATOM 1893 CG HIS A 114 22.176 0.376 22.276 1.00 0.00 C ATOM 1894 ND1 HIS A 114 22.007 1.344 23.239 1.00 0.00 N ATOM 1895 CD2 HIS A 114 23.511 0.185 22.167 1.00 0.00 C ATOM 1896 CE1 HIS A 114 23.187 1.723 23.690 1.00 0.00 C ATOM 1897 NE2 HIS A 114 24.119 1.034 23.058 1.00 0.00 N ATOM 0 H HIS A 114 19.102 1.688 21.035 1.00 0.00 H new ATOM 0 HA HIS A 114 21.486 0.591 19.672 1.00 0.00 H new ATOM 0 HB2 HIS A 114 20.181 -0.335 22.242 1.00 0.00 H new ATOM 0 HB3 HIS A 114 21.311 -1.299 21.312 1.00 0.00 H new ATOM 0 HD2 HIS A 114 24.006 -0.507 21.502 1.00 0.00 H new ATOM 0 HE1 HIS A 114 23.362 2.471 24.449 1.00 0.00 H new ATOM 0 HE2 HIS A 114 25.125 1.119 23.207 1.00 0.00 H new ATOM 1906 N HIS A 115 19.690 -0.450 18.228 1.00 0.00 N ATOM 1907 CA HIS A 115 18.726 -1.175 17.412 1.00 0.00 C ATOM 1908 C HIS A 115 18.846 -2.661 17.695 1.00 0.00 C ATOM 1909 O HIS A 115 19.855 -3.289 17.365 1.00 0.00 O ATOM 1910 CB HIS A 115 18.932 -0.895 15.919 1.00 0.00 C ATOM 1911 CG HIS A 115 18.868 0.559 15.558 1.00 0.00 C ATOM 1912 ND1 HIS A 115 17.694 1.281 15.504 1.00 0.00 N ATOM 1913 CD2 HIS A 115 19.852 1.430 15.237 1.00 0.00 C ATOM 1914 CE1 HIS A 115 17.963 2.527 15.165 1.00 0.00 C ATOM 1915 NE2 HIS A 115 19.268 2.647 15.001 1.00 0.00 N ATOM 0 H HIS A 115 20.445 -0.010 17.702 1.00 0.00 H new ATOM 0 HA HIS A 115 17.724 -0.833 17.672 1.00 0.00 H new ATOM 0 HB2 HIS A 115 19.901 -1.292 15.615 1.00 0.00 H new ATOM 0 HB3 HIS A 115 18.174 -1.434 15.351 1.00 0.00 H new ATOM 0 HD1 HIS A 115 16.764 0.910 15.696 1.00 0.00 H new ATOM 0 HD2 HIS A 115 20.907 1.207 15.177 1.00 0.00 H new ATOM 0 HE1 HIS A 115 17.237 3.317 15.042 1.00 0.00 H new ATOM 1924 N HIS A 116 17.822 -3.221 18.313 1.00 0.00 N ATOM 1925 CA HIS A 116 17.887 -4.586 18.806 1.00 0.00 C ATOM 1926 C HIS A 116 17.596 -5.591 17.704 1.00 0.00 C ATOM 1927 O HIS A 116 16.797 -5.337 16.802 1.00 0.00 O ATOM 1928 CB HIS A 116 16.918 -4.789 19.973 1.00 0.00 C ATOM 1929 CG HIS A 116 17.308 -4.044 21.214 1.00 0.00 C ATOM 1930 ND1 HIS A 116 16.420 -3.304 21.963 1.00 0.00 N ATOM 1931 CD2 HIS A 116 18.503 -3.941 21.844 1.00 0.00 C ATOM 1932 CE1 HIS A 116 17.049 -2.779 22.996 1.00 0.00 C ATOM 1933 NE2 HIS A 116 18.313 -3.151 22.949 1.00 0.00 N ATOM 0 H HIS A 116 16.933 -2.751 18.486 1.00 0.00 H new ATOM 0 HA HIS A 116 18.904 -4.756 19.159 1.00 0.00 H new ATOM 0 HB2 HIS A 116 15.922 -4.471 19.666 1.00 0.00 H new ATOM 0 HB3 HIS A 116 16.856 -5.853 20.202 1.00 0.00 H new ATOM 0 HD2 HIS A 116 19.432 -4.396 21.534 1.00 0.00 H new ATOM 0 HE1 HIS A 116 16.604 -2.150 23.753 1.00 0.00 H new ATOM 0 HE2 HIS A 116 19.033 -2.893 23.624 1.00 0.00 H new ATOM 1942 N HIS A 117 18.280 -6.720 17.775 1.00 0.00 N ATOM 1943 CA HIS A 117 18.046 -7.830 16.868 1.00 0.00 C ATOM 1944 C HIS A 117 17.269 -8.915 17.610 1.00 0.00 C ATOM 1945 O HIS A 117 16.840 -9.911 17.031 1.00 0.00 O ATOM 1946 CB HIS A 117 19.391 -8.364 16.354 1.00 0.00 C ATOM 1947 CG HIS A 117 19.289 -9.423 15.294 1.00 0.00 C ATOM 1948 ND1 HIS A 117 19.232 -9.136 13.948 1.00 0.00 N ATOM 1949 CD2 HIS A 117 19.267 -10.773 15.388 1.00 0.00 C ATOM 1950 CE1 HIS A 117 19.178 -10.261 13.261 1.00 0.00 C ATOM 1951 NE2 HIS A 117 19.198 -11.267 14.111 1.00 0.00 N ATOM 0 H HIS A 117 19.013 -6.893 18.463 1.00 0.00 H new ATOM 0 HA HIS A 117 17.461 -7.504 16.008 1.00 0.00 H new ATOM 0 HB2 HIS A 117 19.969 -7.529 15.958 1.00 0.00 H new ATOM 0 HB3 HIS A 117 19.951 -8.768 17.197 1.00 0.00 H new ATOM 0 HD2 HIS A 117 19.298 -11.353 16.299 1.00 0.00 H new ATOM 0 HE1 HIS A 117 19.126 -10.343 12.185 1.00 0.00 H new ATOM 0 HE2 HIS A 117 19.167 -12.255 13.859 1.00 0.00 H new ATOM 1960 N HIS A 118 17.105 -8.700 18.908 1.00 0.00 N ATOM 1961 CA HIS A 118 16.385 -9.624 19.773 1.00 0.00 C ATOM 1962 C HIS A 118 15.426 -8.839 20.655 1.00 0.00 C ATOM 1963 O HIS A 118 15.913 -8.006 21.448 1.00 0.00 O ATOM 1964 CB HIS A 118 17.356 -10.420 20.655 1.00 0.00 C ATOM 1965 CG HIS A 118 18.381 -11.198 19.891 1.00 0.00 C ATOM 1966 ND1 HIS A 118 19.620 -10.689 19.568 1.00 0.00 N ATOM 1967 CD2 HIS A 118 18.351 -12.455 19.390 1.00 0.00 C ATOM 1968 CE1 HIS A 118 20.308 -11.597 18.906 1.00 0.00 C ATOM 1969 NE2 HIS A 118 19.563 -12.678 18.783 1.00 0.00 N ATOM 1970 OXT HIS A 118 14.202 -9.053 20.553 1.00 0.00 O ATOM 0 H HIS A 118 17.468 -7.879 19.392 1.00 0.00 H new ATOM 0 HA HIS A 118 15.832 -10.327 19.149 1.00 0.00 H new ATOM 0 HB2 HIS A 118 17.866 -9.731 21.328 1.00 0.00 H new ATOM 0 HB3 HIS A 118 16.784 -11.108 21.277 1.00 0.00 H new ATOM 0 HD2 HIS A 118 17.529 -13.152 19.455 1.00 0.00 H new ATOM 0 HE1 HIS A 118 21.312 -11.476 18.528 1.00 0.00 H new ATOM 0 HE2 HIS A 118 19.841 -13.540 18.313 1.00 0.00 H new TER 1979 HIS A 118