USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=32 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 -105:sc= 1.15 USER MOD Set 1.2: A 82 TYR OH : rot 120:sc= 1.01 USER MOD Set 2.1: A 24 LYS NZ :NH3+ 165:sc= 1.08 (180deg=0) USER MOD Set 2.2: A 26 THR OG1 : rot -110:sc= 0.93 USER MOD Set 3.1: A 19 SER OG : rot -80:sc= 0.766 USER MOD Set 3.2: A 23 THR OG1 : rot 62:sc= 1.47 USER MOD Set 3.3: A 89 TYR OH : rot 44:sc= 1.65 USER MOD Set 3.4: A 93 GLN : amide:sc= -0.032 K(o=3.9,f=2.7!) USER MOD Set 4.1: A 10 THR OG1 : rot 156:sc= 1.07 USER MOD Set 4.2: A 15 THR OG1 : rot 177:sc= 1.31 USER MOD Single : A 1 LYS N :NH3+ -177:sc= -0.0442 (180deg=-0.0956) USER MOD Single : A 1 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0399) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -1.8! K(o=-1.8!,f=-0.064) USER MOD Single : A 6 LYS NZ :NH3+ -138:sc= -0.0404 (180deg=-1.6!) USER MOD Single : A 8 ASN : amide:sc= -0.0265 K(o=-0.027,f=-1.2) USER MOD Single : A 9 ASN : amide:sc= 0.0585 X(o=0.058,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0552) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0016 USER MOD Single : A 32 GLN : amide:sc= -0.818 K(o=-0.82,f=-5.7!) USER MOD Single : A 34 SER OG : rot 75:sc= 1.02 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 69:sc= 1.24 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0147 X(o=-0.015,f=-0.015) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 1.22 (180deg=1.22) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0608 USER MOD Single : A 65 LYS NZ :NH3+ 164:sc= -0.0256 (180deg=-0.278) USER MOD Single : A 66 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0396) 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 -173:sc= -1.15 (180deg=-1.38) USER MOD Single : A 80 LYS NZ :NH3+ -160:sc= -0.0297 (180deg=-0.2) USER MOD Single : A 81 GLN : amide:sc= -0.253 K(o=-0.25,f=-0.92) USER MOD Single : A 84 THR OG1 : rot 74:sc= 1.25 USER MOD Single : A 87 MET CE :methyl -164:sc= -1.01 (180deg=-1.54) USER MOD Single : A 92 GLN : amide:sc= -1.13 K(o=-1.1,f=-0.0022) USER MOD Single : A 94 LYS NZ :NH3+ 166:sc= -0.0307 (180deg=-0.28) USER MOD Single : A 95 MET CE :methyl -177:sc= -7.63! (180deg=-7.71!) USER MOD Single : A 99 ASN : amide:sc= -3.48! K(o=-3.5!,f=-0.41) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 110 LYS NZ :NH3+ -120:sc= 1.24 (180deg=0.00891) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 HIS : no HD1:sc= -0.228 X(o=-0.23,f=-0.0073) USER MOD Single : A 115 HIS : no HD1:sc= -0.0557 X(o=-0.056,f=-0.00031) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -16.153 -4.283 -20.002 1.00 0.00 N ATOM 2 CA LYS A 1 -15.622 -3.421 -18.921 1.00 0.00 C ATOM 3 C LYS A 1 -16.715 -2.536 -18.317 1.00 0.00 C ATOM 4 O LYS A 1 -16.539 -1.977 -17.232 1.00 0.00 O ATOM 5 CB LYS A 1 -14.477 -2.547 -19.444 1.00 0.00 C ATOM 6 CG LYS A 1 -13.158 -3.289 -19.610 1.00 0.00 C ATOM 7 CD LYS A 1 -12.076 -2.373 -20.164 1.00 0.00 C ATOM 8 CE LYS A 1 -10.700 -3.029 -20.144 1.00 0.00 C ATOM 9 NZ LYS A 1 -10.675 -4.322 -20.880 1.00 0.00 N ATOM 0 H1 LYS A 1 -15.397 -4.905 -20.353 1.00 0.00 H new ATOM 0 H2 LYS A 1 -16.934 -4.862 -19.632 1.00 0.00 H new ATOM 0 H3 LYS A 1 -16.502 -3.688 -20.781 1.00 0.00 H new ATOM 0 HA LYS A 1 -15.245 -4.078 -18.137 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -14.767 -2.123 -20.405 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -14.329 -1.712 -18.759 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -12.840 -3.691 -18.648 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -13.297 -4.138 -20.279 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -12.328 -2.093 -21.187 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -12.047 -1.453 -19.580 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -9.971 -2.349 -20.585 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -10.396 -3.197 -19.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -9.699 -4.677 -20.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -11.273 -5.014 -20.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -11.036 -4.179 -21.845 1.00 0.00 H new ATOM 25 N SER A 2 -17.842 -2.410 -19.010 1.00 0.00 N ATOM 26 CA SER A 2 -18.949 -1.594 -18.525 1.00 0.00 C ATOM 27 C SER A 2 -19.783 -2.377 -17.506 1.00 0.00 C ATOM 28 O SER A 2 -20.915 -2.782 -17.782 1.00 0.00 O ATOM 29 CB SER A 2 -19.821 -1.155 -19.702 1.00 0.00 C ATOM 30 OG SER A 2 -19.019 -0.707 -20.789 1.00 0.00 O ATOM 0 H SER A 2 -18.013 -2.862 -19.908 1.00 0.00 H new ATOM 0 HA SER A 2 -18.548 -0.709 -18.031 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.448 -1.986 -20.026 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.491 -0.355 -19.385 1.00 0.00 H new ATOM 0 HG SER A 2 -19.597 -0.433 -21.531 1.00 0.00 H new ATOM 36 N VAL A 3 -19.206 -2.594 -16.333 1.00 0.00 N ATOM 37 CA VAL A 3 -19.824 -3.433 -15.314 1.00 0.00 C ATOM 38 C VAL A 3 -20.403 -2.612 -14.164 1.00 0.00 C ATOM 39 O VAL A 3 -20.435 -1.383 -14.216 1.00 0.00 O ATOM 40 CB VAL A 3 -18.813 -4.451 -14.754 1.00 0.00 C ATOM 41 CG1 VAL A 3 -18.467 -5.490 -15.806 1.00 0.00 C ATOM 42 CG2 VAL A 3 -17.555 -3.746 -14.267 1.00 0.00 C ATOM 0 H VAL A 3 -18.306 -2.199 -16.061 1.00 0.00 H new ATOM 0 HA VAL A 3 -20.643 -3.961 -15.802 1.00 0.00 H new ATOM 0 HB VAL A 3 -19.272 -4.958 -13.905 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -17.752 -6.201 -15.393 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -19.372 -6.018 -16.107 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -18.029 -4.997 -16.674 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -16.854 -4.483 -13.875 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -17.093 -3.211 -15.097 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -17.816 -3.039 -13.480 1.00 0.00 H new ATOM 52 N GLN A 4 -20.850 -3.310 -13.126 1.00 0.00 N ATOM 53 CA GLN A 4 -21.481 -2.676 -11.972 1.00 0.00 C ATOM 54 C GLN A 4 -20.429 -2.133 -11.015 1.00 0.00 C ATOM 55 O GLN A 4 -20.617 -1.099 -10.383 1.00 0.00 O ATOM 56 CB GLN A 4 -22.342 -3.692 -11.222 1.00 0.00 C ATOM 57 CG GLN A 4 -23.379 -4.392 -12.078 1.00 0.00 C ATOM 58 CD GLN A 4 -24.029 -5.553 -11.349 1.00 0.00 C ATOM 59 OE1 GLN A 4 -25.191 -5.880 -11.585 1.00 0.00 O ATOM 60 NE2 GLN A 4 -23.275 -6.194 -10.467 1.00 0.00 N ATOM 0 H GLN A 4 -20.786 -4.326 -13.060 1.00 0.00 H new ATOM 0 HA GLN A 4 -22.100 -1.856 -12.336 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -21.690 -4.443 -10.777 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -22.849 -3.184 -10.402 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -24.145 -3.677 -12.376 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -22.909 -4.755 -12.992 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -22.315 -5.891 -10.300 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -23.654 -6.990 -9.955 1.00 0.00 H new ATOM 69 N GLU A 5 -19.320 -2.850 -10.927 1.00 0.00 N ATOM 70 CA GLU A 5 -18.280 -2.568 -9.947 1.00 0.00 C ATOM 71 C GLU A 5 -17.668 -1.186 -10.156 1.00 0.00 C ATOM 72 O GLU A 5 -17.270 -0.524 -9.200 1.00 0.00 O ATOM 73 CB GLU A 5 -17.186 -3.641 -10.011 1.00 0.00 C ATOM 74 CG GLU A 5 -17.650 -5.041 -9.611 1.00 0.00 C ATOM 75 CD GLU A 5 -18.723 -5.606 -10.526 1.00 0.00 C ATOM 76 OE1 GLU A 5 -18.627 -5.408 -11.753 1.00 0.00 O ATOM 77 OE2 GLU A 5 -19.680 -6.229 -10.023 1.00 0.00 O ATOM 0 H GLU A 5 -19.114 -3.644 -11.533 1.00 0.00 H new ATOM 0 HA GLU A 5 -18.744 -2.582 -8.961 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -16.790 -3.679 -11.026 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -16.364 -3.344 -9.359 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -16.792 -5.714 -9.611 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -18.032 -5.011 -8.591 1.00 0.00 H new ATOM 84 N LYS A 6 -17.626 -0.738 -11.404 1.00 0.00 N ATOM 85 CA LYS A 6 -17.013 0.546 -11.732 1.00 0.00 C ATOM 86 C LYS A 6 -17.986 1.699 -11.508 1.00 0.00 C ATOM 87 O LYS A 6 -17.681 2.848 -11.822 1.00 0.00 O ATOM 88 CB LYS A 6 -16.514 0.551 -13.179 1.00 0.00 C ATOM 89 CG LYS A 6 -15.435 -0.484 -13.451 1.00 0.00 C ATOM 90 CD LYS A 6 -14.844 -0.325 -14.841 1.00 0.00 C ATOM 91 CE LYS A 6 -13.790 -1.383 -15.120 1.00 0.00 C ATOM 92 NZ LYS A 6 -13.141 -1.186 -16.441 1.00 0.00 N ATOM 0 H LYS A 6 -18.007 -1.242 -12.205 1.00 0.00 H new ATOM 0 HA LYS A 6 -16.162 0.686 -11.065 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -17.357 0.370 -13.846 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -16.125 1.541 -13.418 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -14.645 -0.390 -12.706 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -15.855 -1.484 -13.346 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -15.637 -0.394 -15.585 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -14.401 0.666 -14.939 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.033 -1.356 -14.336 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -14.250 -2.371 -15.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.028 -2.106 -16.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -13.733 -0.565 -17.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.207 -0.749 -16.307 1.00 0.00 H new ATOM 106 N ARG A 7 -19.155 1.390 -10.963 1.00 0.00 N ATOM 107 CA ARG A 7 -20.138 2.415 -10.639 1.00 0.00 C ATOM 108 C ARG A 7 -19.943 2.894 -9.209 1.00 0.00 C ATOM 109 O ARG A 7 -20.385 3.983 -8.836 1.00 0.00 O ATOM 110 CB ARG A 7 -21.557 1.880 -10.819 1.00 0.00 C ATOM 111 CG ARG A 7 -21.857 1.427 -12.235 1.00 0.00 C ATOM 112 CD ARG A 7 -23.275 0.902 -12.358 1.00 0.00 C ATOM 113 NE ARG A 7 -23.594 0.513 -13.730 1.00 0.00 N ATOM 114 CZ ARG A 7 -24.559 1.075 -14.452 1.00 0.00 C ATOM 115 NH1 ARG A 7 -25.262 2.087 -13.956 1.00 0.00 N ATOM 116 NH2 ARG A 7 -24.805 0.636 -15.678 1.00 0.00 N ATOM 0 H ARG A 7 -19.445 0.439 -10.736 1.00 0.00 H new ATOM 0 HA ARG A 7 -19.995 3.254 -11.320 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -21.710 1.043 -10.138 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -22.268 2.656 -10.536 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -21.715 2.260 -12.923 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -21.152 0.648 -12.527 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -23.403 0.044 -11.698 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -23.976 1.668 -12.025 1.00 0.00 H new ATOM 0 HE ARG A 7 -23.045 -0.232 -14.158 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -25.062 2.436 -13.018 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -26.001 2.516 -14.513 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -24.255 -0.131 -16.065 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -25.544 1.065 -16.234 1.00 0.00 H new ATOM 130 N ASN A 8 -19.273 2.078 -8.411 1.00 0.00 N ATOM 131 CA ASN A 8 -19.022 2.418 -7.020 1.00 0.00 C ATOM 132 C ASN A 8 -17.545 2.679 -6.788 1.00 0.00 C ATOM 133 O ASN A 8 -16.802 1.785 -6.388 1.00 0.00 O ATOM 134 CB ASN A 8 -19.503 1.309 -6.079 1.00 0.00 C ATOM 135 CG ASN A 8 -21.013 1.226 -5.982 1.00 0.00 C ATOM 136 OD1 ASN A 8 -21.718 2.218 -6.160 1.00 0.00 O ATOM 137 ND2 ASN A 8 -21.520 0.041 -5.679 1.00 0.00 N ATOM 0 H ASN A 8 -18.894 1.177 -8.702 1.00 0.00 H new ATOM 0 HA ASN A 8 -19.584 3.326 -6.801 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -19.114 0.352 -6.426 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -19.090 1.479 -5.085 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -22.529 -0.073 -5.586 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -20.901 -0.758 -5.539 1.00 0.00 H new ATOM 144 N ASN A 9 -17.114 3.900 -7.067 1.00 0.00 N ATOM 145 CA ASN A 9 -15.742 4.300 -6.782 1.00 0.00 C ATOM 146 C ASN A 9 -15.615 4.620 -5.298 1.00 0.00 C ATOM 147 O ASN A 9 -15.742 5.774 -4.878 1.00 0.00 O ATOM 148 CB ASN A 9 -15.327 5.509 -7.637 1.00 0.00 C ATOM 149 CG ASN A 9 -13.854 5.867 -7.484 1.00 0.00 C ATOM 150 OD1 ASN A 9 -13.001 5.380 -8.228 1.00 0.00 O ATOM 151 ND2 ASN A 9 -13.545 6.725 -6.523 1.00 0.00 N ATOM 0 H ASN A 9 -17.690 4.629 -7.488 1.00 0.00 H new ATOM 0 HA ASN A 9 -15.072 3.478 -7.035 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -15.537 5.295 -8.685 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -15.935 6.370 -7.359 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.574 7.003 -6.380 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -14.278 7.108 -5.926 1.00 0.00 H new ATOM 158 N THR A 10 -15.421 3.585 -4.502 1.00 0.00 N ATOM 159 CA THR A 10 -15.334 3.738 -3.065 1.00 0.00 C ATOM 160 C THR A 10 -13.950 4.210 -2.653 1.00 0.00 C ATOM 161 O THR A 10 -12.974 4.023 -3.381 1.00 0.00 O ATOM 162 CB THR A 10 -15.674 2.417 -2.349 1.00 0.00 C ATOM 163 OG1 THR A 10 -14.963 1.329 -2.959 1.00 0.00 O ATOM 164 CG2 THR A 10 -17.171 2.147 -2.399 1.00 0.00 C ATOM 0 H THR A 10 -15.320 2.625 -4.831 1.00 0.00 H new ATOM 0 HA THR A 10 -16.063 4.492 -2.768 1.00 0.00 H new ATOM 0 HB THR A 10 -15.371 2.505 -1.306 1.00 0.00 H new ATOM 0 HG1 THR A 10 -14.864 0.600 -2.312 1.00 0.00 H new ATOM 0 HG21 THR A 10 -17.389 1.209 -1.888 1.00 0.00 H new ATOM 0 HG22 THR A 10 -17.704 2.961 -1.907 1.00 0.00 H new ATOM 0 HG23 THR A 10 -17.494 2.077 -3.438 1.00 0.00 H new ATOM 172 N ARG A 11 -13.870 4.820 -1.484 1.00 0.00 N ATOM 173 CA ARG A 11 -12.605 5.314 -0.971 1.00 0.00 C ATOM 174 C ARG A 11 -11.937 4.247 -0.112 1.00 0.00 C ATOM 175 O ARG A 11 -11.161 4.553 0.790 1.00 0.00 O ATOM 176 CB ARG A 11 -12.822 6.604 -0.175 1.00 0.00 C ATOM 177 CG ARG A 11 -13.456 7.715 -0.996 1.00 0.00 C ATOM 178 CD ARG A 11 -13.520 9.024 -0.226 1.00 0.00 C ATOM 179 NE ARG A 11 -14.142 10.093 -1.011 1.00 0.00 N ATOM 180 CZ ARG A 11 -13.487 10.863 -1.884 1.00 0.00 C ATOM 181 NH1 ARG A 11 -12.200 10.653 -2.125 1.00 0.00 N ATOM 182 NH2 ARG A 11 -14.126 11.833 -2.526 1.00 0.00 N ATOM 0 H ARG A 11 -14.668 4.985 -0.871 1.00 0.00 H new ATOM 0 HA ARG A 11 -11.946 5.541 -1.809 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -13.456 6.390 0.686 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.864 6.949 0.213 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.884 7.861 -1.912 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -14.462 7.419 -1.292 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -14.084 8.876 0.695 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.513 9.325 0.062 1.00 0.00 H new ATOM 0 HE ARG A 11 -15.140 10.260 -0.883 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.707 9.901 -1.643 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.703 11.243 -2.792 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -15.119 11.991 -2.353 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.624 12.420 -3.192 1.00 0.00 H new ATOM 196 N ALA A 12 -12.247 2.993 -0.409 1.00 0.00 N ATOM 197 CA ALA A 12 -11.602 1.864 0.237 1.00 0.00 C ATOM 198 C ALA A 12 -10.190 1.711 -0.300 1.00 0.00 C ATOM 199 O ALA A 12 -9.944 1.972 -1.480 1.00 0.00 O ATOM 200 CB ALA A 12 -12.403 0.593 0.002 1.00 0.00 C ATOM 0 H ALA A 12 -12.949 2.733 -1.101 1.00 0.00 H new ATOM 0 HA ALA A 12 -11.556 2.043 1.311 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -11.908 -0.245 0.492 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -13.405 0.713 0.414 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -12.471 0.399 -1.068 1.00 0.00 H new ATOM 206 N PHE A 13 -9.267 1.299 0.563 1.00 0.00 N ATOM 207 CA PHE A 13 -7.873 1.124 0.172 1.00 0.00 C ATOM 208 C PHE A 13 -7.779 0.235 -1.065 1.00 0.00 C ATOM 209 O PHE A 13 -7.000 0.506 -1.968 1.00 0.00 O ATOM 210 CB PHE A 13 -7.067 0.513 1.325 1.00 0.00 C ATOM 211 CG PHE A 13 -5.574 0.606 1.147 1.00 0.00 C ATOM 212 CD1 PHE A 13 -4.907 -0.238 0.271 1.00 0.00 C ATOM 213 CD2 PHE A 13 -4.835 1.538 1.860 1.00 0.00 C ATOM 214 CE1 PHE A 13 -3.540 -0.149 0.106 1.00 0.00 C ATOM 215 CE2 PHE A 13 -3.467 1.630 1.701 1.00 0.00 C ATOM 216 CZ PHE A 13 -2.819 0.786 0.822 1.00 0.00 C ATOM 0 H PHE A 13 -9.460 1.080 1.540 1.00 0.00 H new ATOM 0 HA PHE A 13 -7.454 2.102 -0.066 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.344 1.013 2.253 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -7.345 -0.535 1.433 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -5.465 -0.974 -0.289 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.337 2.201 2.549 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.034 -0.810 -0.582 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.905 2.361 2.263 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.749 0.857 0.694 1.00 0.00 H new ATOM 226 N LYS A 14 -8.604 -0.806 -1.103 1.00 0.00 N ATOM 227 CA LYS A 14 -8.614 -1.752 -2.217 1.00 0.00 C ATOM 228 C LYS A 14 -8.904 -1.044 -3.536 1.00 0.00 C ATOM 229 O LYS A 14 -8.131 -1.133 -4.492 1.00 0.00 O ATOM 230 CB LYS A 14 -9.681 -2.822 -1.984 1.00 0.00 C ATOM 231 CG LYS A 14 -9.608 -3.467 -0.615 1.00 0.00 C ATOM 232 CD LYS A 14 -10.682 -4.530 -0.438 1.00 0.00 C ATOM 233 CE LYS A 14 -12.075 -3.919 -0.373 1.00 0.00 C ATOM 234 NZ LYS A 14 -13.133 -4.950 -0.213 1.00 0.00 N ATOM 0 H LYS A 14 -9.280 -1.018 -0.369 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.628 -2.213 -2.273 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.666 -2.374 -2.113 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -9.580 -3.595 -2.746 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.625 -3.916 -0.476 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.721 -2.703 0.154 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.633 -5.238 -1.266 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.489 -5.094 0.475 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.124 -3.218 0.460 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -12.262 -3.347 -1.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.064 -4.489 -0.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -13.105 -5.605 -1.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.971 -5.480 0.667 1.00 0.00 H new ATOM 248 N THR A 15 -10.024 -0.336 -3.570 1.00 0.00 N ATOM 249 CA THR A 15 -10.478 0.346 -4.769 1.00 0.00 C ATOM 250 C THR A 15 -9.479 1.418 -5.199 1.00 0.00 C ATOM 251 O THR A 15 -9.118 1.520 -6.375 1.00 0.00 O ATOM 252 CB THR A 15 -11.849 0.994 -4.514 1.00 0.00 C ATOM 253 OG1 THR A 15 -12.651 0.108 -3.718 1.00 0.00 O ATOM 254 CG2 THR A 15 -12.565 1.302 -5.824 1.00 0.00 C ATOM 0 H THR A 15 -10.642 -0.219 -2.767 1.00 0.00 H new ATOM 0 HA THR A 15 -10.563 -0.390 -5.568 1.00 0.00 H new ATOM 0 HB THR A 15 -11.695 1.934 -3.985 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.504 0.541 -3.506 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.531 1.759 -5.612 1.00 0.00 H new ATOM 0 HG22 THR A 15 -11.961 1.989 -6.416 1.00 0.00 H new ATOM 0 HG23 THR A 15 -12.716 0.378 -6.382 1.00 0.00 H new ATOM 262 N VAL A 16 -9.016 2.197 -4.231 1.00 0.00 N ATOM 263 CA VAL A 16 -8.098 3.290 -4.503 1.00 0.00 C ATOM 264 C VAL A 16 -6.723 2.774 -4.908 1.00 0.00 C ATOM 265 O VAL A 16 -6.064 3.360 -5.767 1.00 0.00 O ATOM 266 CB VAL A 16 -7.984 4.235 -3.293 1.00 0.00 C ATOM 267 CG1 VAL A 16 -6.947 5.319 -3.553 1.00 0.00 C ATOM 268 CG2 VAL A 16 -9.344 4.849 -3.008 1.00 0.00 C ATOM 0 H VAL A 16 -9.263 2.090 -3.247 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.506 3.855 -5.341 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.658 3.666 -2.422 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.882 5.976 -2.686 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.976 4.858 -3.732 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.240 5.900 -4.427 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.268 5.519 -2.152 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.680 5.411 -3.880 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.061 4.058 -2.788 1.00 0.00 H new ATOM 278 N ALA A 17 -6.299 1.668 -4.310 1.00 0.00 N ATOM 279 CA ALA A 17 -5.034 1.045 -4.674 1.00 0.00 C ATOM 280 C ALA A 17 -5.028 0.652 -6.145 1.00 0.00 C ATOM 281 O ALA A 17 -4.014 0.790 -6.824 1.00 0.00 O ATOM 282 CB ALA A 17 -4.747 -0.171 -3.805 1.00 0.00 C ATOM 0 H ALA A 17 -6.812 1.185 -3.572 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.246 1.779 -4.505 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.796 -0.614 -4.101 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.696 0.133 -2.759 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.544 -0.904 -3.931 1.00 0.00 H new ATOM 288 N LYS A 18 -6.166 0.179 -6.648 1.00 0.00 N ATOM 289 CA LYS A 18 -6.249 -0.206 -8.049 1.00 0.00 C ATOM 290 C LYS A 18 -6.384 1.027 -8.934 1.00 0.00 C ATOM 291 O LYS A 18 -5.982 1.015 -10.100 1.00 0.00 O ATOM 292 CB LYS A 18 -7.409 -1.167 -8.301 1.00 0.00 C ATOM 293 CG LYS A 18 -7.224 -1.964 -9.582 1.00 0.00 C ATOM 294 CD LYS A 18 -8.354 -2.947 -9.825 1.00 0.00 C ATOM 295 CE LYS A 18 -7.967 -3.956 -10.894 1.00 0.00 C ATOM 296 NZ LYS A 18 -7.620 -3.306 -12.188 1.00 0.00 N ATOM 0 H LYS A 18 -7.027 0.056 -6.115 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.325 -0.725 -8.302 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.501 -1.852 -7.458 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.340 -0.603 -8.357 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.156 -1.278 -10.426 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.279 -2.506 -9.535 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.596 -3.467 -8.898 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.251 -2.409 -10.133 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.117 -4.543 -10.546 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.792 -4.651 -11.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.479 -4.035 -12.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.393 -2.673 -12.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.745 -2.755 -12.076 1.00 0.00 H new ATOM 310 N SER A 19 -6.955 2.091 -8.381 1.00 0.00 N ATOM 311 CA SER A 19 -7.005 3.368 -9.074 1.00 0.00 C ATOM 312 C SER A 19 -5.588 3.917 -9.201 1.00 0.00 C ATOM 313 O SER A 19 -5.192 4.428 -10.248 1.00 0.00 O ATOM 314 CB SER A 19 -7.906 4.355 -8.318 1.00 0.00 C ATOM 315 OG SER A 19 -8.151 5.527 -9.081 1.00 0.00 O ATOM 0 H SER A 19 -7.388 2.093 -7.457 1.00 0.00 H new ATOM 0 HA SER A 19 -7.428 3.228 -10.069 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.853 3.873 -8.076 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.436 4.627 -7.373 1.00 0.00 H new ATOM 0 HG SER A 19 -7.381 6.129 -9.013 1.00 0.00 H new ATOM 321 N TRP A 20 -4.827 3.777 -8.123 1.00 0.00 N ATOM 322 CA TRP A 20 -3.418 4.140 -8.108 1.00 0.00 C ATOM 323 C TRP A 20 -2.642 3.262 -9.084 1.00 0.00 C ATOM 324 O TRP A 20 -1.799 3.746 -9.830 1.00 0.00 O ATOM 325 CB TRP A 20 -2.865 3.988 -6.686 1.00 0.00 C ATOM 326 CG TRP A 20 -1.384 4.195 -6.575 1.00 0.00 C ATOM 327 CD1 TRP A 20 -0.727 5.385 -6.443 1.00 0.00 C ATOM 328 CD2 TRP A 20 -0.376 3.178 -6.575 1.00 0.00 C ATOM 329 NE1 TRP A 20 0.627 5.169 -6.365 1.00 0.00 N ATOM 330 CE2 TRP A 20 0.867 3.822 -6.444 1.00 0.00 C ATOM 331 CE3 TRP A 20 -0.406 1.783 -6.672 1.00 0.00 C ATOM 332 CZ2 TRP A 20 2.068 3.119 -6.411 1.00 0.00 C ATOM 333 CZ3 TRP A 20 0.786 1.087 -6.641 1.00 0.00 C ATOM 334 CH2 TRP A 20 2.009 1.757 -6.509 1.00 0.00 C ATOM 0 H TRP A 20 -5.170 3.409 -7.236 1.00 0.00 H new ATOM 0 HA TRP A 20 -3.307 5.179 -8.419 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -3.370 4.701 -6.034 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.109 2.992 -6.318 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -1.203 6.354 -6.405 1.00 0.00 H new ATOM 0 HE1 TRP A 20 1.338 5.893 -6.265 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -1.345 1.259 -6.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 3.013 3.632 -6.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 0.775 0.010 -6.720 1.00 0.00 H new ATOM 0 HH2 TRP A 20 2.925 1.185 -6.484 1.00 0.00 H new ATOM 345 N PHE A 21 -2.955 1.972 -9.077 1.00 0.00 N ATOM 346 CA PHE A 21 -2.345 1.006 -9.986 1.00 0.00 C ATOM 347 C PHE A 21 -2.582 1.407 -11.445 1.00 0.00 C ATOM 348 O PHE A 21 -1.780 1.100 -12.326 1.00 0.00 O ATOM 349 CB PHE A 21 -2.927 -0.388 -9.709 1.00 0.00 C ATOM 350 CG PHE A 21 -2.333 -1.497 -10.533 1.00 0.00 C ATOM 351 CD1 PHE A 21 -1.160 -2.120 -10.139 1.00 0.00 C ATOM 352 CD2 PHE A 21 -2.957 -1.926 -11.694 1.00 0.00 C ATOM 353 CE1 PHE A 21 -0.621 -3.149 -10.886 1.00 0.00 C ATOM 354 CE2 PHE A 21 -2.421 -2.954 -12.447 1.00 0.00 C ATOM 355 CZ PHE A 21 -1.251 -3.566 -12.042 1.00 0.00 C ATOM 0 H PHE A 21 -3.640 1.564 -8.440 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.268 0.988 -9.817 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.784 -0.622 -8.654 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.002 -0.359 -9.886 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.661 -1.797 -9.237 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -3.873 -1.451 -12.014 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.293 -3.627 -10.566 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -2.916 -3.278 -13.350 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.830 -4.369 -12.628 1.00 0.00 H new ATOM 365 N ALA A 22 -3.688 2.098 -11.689 1.00 0.00 N ATOM 366 CA ALA A 22 -4.038 2.538 -13.029 1.00 0.00 C ATOM 367 C ALA A 22 -3.345 3.852 -13.375 1.00 0.00 C ATOM 368 O ALA A 22 -2.895 4.049 -14.506 1.00 0.00 O ATOM 369 CB ALA A 22 -5.545 2.684 -13.149 1.00 0.00 C ATOM 0 H ALA A 22 -4.360 2.366 -10.970 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.696 1.784 -13.738 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.800 3.014 -14.156 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.021 1.723 -12.951 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.898 3.419 -12.426 1.00 0.00 H new ATOM 375 N THR A 23 -3.267 4.749 -12.400 1.00 0.00 N ATOM 376 CA THR A 23 -2.636 6.046 -12.599 1.00 0.00 C ATOM 377 C THR A 23 -1.111 5.916 -12.625 1.00 0.00 C ATOM 378 O THR A 23 -0.423 6.624 -13.362 1.00 0.00 O ATOM 379 CB THR A 23 -3.042 7.028 -11.480 1.00 0.00 C ATOM 380 OG1 THR A 23 -4.469 7.032 -11.324 1.00 0.00 O ATOM 381 CG2 THR A 23 -2.564 8.441 -11.786 1.00 0.00 C ATOM 0 H THR A 23 -3.635 4.600 -11.460 1.00 0.00 H new ATOM 0 HA THR A 23 -2.977 6.432 -13.560 1.00 0.00 H new ATOM 0 HB THR A 23 -2.570 6.695 -10.555 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.771 6.139 -11.055 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.865 9.110 -10.980 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.478 8.446 -11.875 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.007 8.780 -12.723 1.00 0.00 H new ATOM 389 N LYS A 24 -0.596 4.998 -11.824 1.00 0.00 N ATOM 390 CA LYS A 24 0.837 4.807 -11.677 1.00 0.00 C ATOM 391 C LYS A 24 1.282 3.528 -12.380 1.00 0.00 C ATOM 392 O LYS A 24 1.142 2.436 -11.841 1.00 0.00 O ATOM 393 CB LYS A 24 1.187 4.744 -10.184 1.00 0.00 C ATOM 394 CG LYS A 24 2.669 4.606 -9.882 1.00 0.00 C ATOM 395 CD LYS A 24 3.443 5.841 -10.304 1.00 0.00 C ATOM 396 CE LYS A 24 4.900 5.750 -9.885 1.00 0.00 C ATOM 397 NZ LYS A 24 5.704 6.877 -10.425 1.00 0.00 N ATOM 0 H LYS A 24 -1.160 4.364 -11.257 1.00 0.00 H new ATOM 0 HA LYS A 24 1.360 5.645 -12.138 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.814 5.647 -9.700 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.660 3.901 -9.737 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.809 4.435 -8.815 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.066 3.733 -10.399 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.380 5.960 -11.386 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.989 6.727 -9.859 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.965 5.746 -8.797 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.319 4.806 -10.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.614 6.926 -9.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.876 6.726 -11.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.186 7.769 -10.291 1.00 0.00 H new ATOM 411 N THR A 25 1.795 3.667 -13.594 1.00 0.00 N ATOM 412 CA THR A 25 2.274 2.518 -14.356 1.00 0.00 C ATOM 413 C THR A 25 3.733 2.701 -14.770 1.00 0.00 C ATOM 414 O THR A 25 4.159 2.231 -15.826 1.00 0.00 O ATOM 415 CB THR A 25 1.398 2.272 -15.603 1.00 0.00 C ATOM 416 OG1 THR A 25 1.089 3.514 -16.250 1.00 0.00 O ATOM 417 CG2 THR A 25 0.107 1.557 -15.227 1.00 0.00 C ATOM 0 H THR A 25 1.891 4.562 -14.074 1.00 0.00 H new ATOM 0 HA THR A 25 2.205 1.646 -13.706 1.00 0.00 H new ATOM 0 HB THR A 25 1.962 1.640 -16.289 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.535 3.342 -17.040 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.493 1.395 -16.122 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.343 0.596 -14.770 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.454 2.167 -14.520 1.00 0.00 H new ATOM 425 N THR A 26 4.493 3.379 -13.914 1.00 0.00 N ATOM 426 CA THR A 26 5.908 3.634 -14.161 1.00 0.00 C ATOM 427 C THR A 26 6.717 2.336 -14.175 1.00 0.00 C ATOM 428 O THR A 26 7.652 2.180 -14.966 1.00 0.00 O ATOM 429 CB THR A 26 6.481 4.571 -13.081 1.00 0.00 C ATOM 430 OG1 THR A 26 5.626 5.709 -12.931 1.00 0.00 O ATOM 431 CG2 THR A 26 7.885 5.035 -13.435 1.00 0.00 C ATOM 0 H THR A 26 4.148 3.765 -13.035 1.00 0.00 H new ATOM 0 HA THR A 26 5.986 4.106 -15.140 1.00 0.00 H new ATOM 0 HB THR A 26 6.533 4.015 -12.145 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.078 6.506 -13.279 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.259 5.694 -12.652 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.542 4.170 -13.525 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.862 5.574 -14.382 1.00 0.00 H new ATOM 439 N TRP A 27 6.342 1.409 -13.305 1.00 0.00 N ATOM 440 CA TRP A 27 7.052 0.146 -13.184 1.00 0.00 C ATOM 441 C TRP A 27 6.733 -0.768 -14.352 1.00 0.00 C ATOM 442 O TRP A 27 5.733 -0.582 -15.048 1.00 0.00 O ATOM 443 CB TRP A 27 6.689 -0.566 -11.877 1.00 0.00 C ATOM 444 CG TRP A 27 7.293 0.053 -10.656 1.00 0.00 C ATOM 445 CD1 TRP A 27 8.592 0.434 -10.493 1.00 0.00 C ATOM 446 CD2 TRP A 27 6.635 0.330 -9.412 1.00 0.00 C ATOM 447 NE1 TRP A 27 8.780 0.946 -9.233 1.00 0.00 N ATOM 448 CE2 TRP A 27 7.595 0.892 -8.549 1.00 0.00 C ATOM 449 CE3 TRP A 27 5.327 0.165 -8.947 1.00 0.00 C ATOM 450 CZ2 TRP A 27 7.290 1.286 -7.249 1.00 0.00 C ATOM 451 CZ3 TRP A 27 5.027 0.556 -7.655 1.00 0.00 C ATOM 452 CH2 TRP A 27 6.003 1.113 -6.819 1.00 0.00 C ATOM 0 H TRP A 27 5.549 1.509 -12.672 1.00 0.00 H new ATOM 0 HA TRP A 27 8.118 0.372 -13.184 1.00 0.00 H new ATOM 0 HB2 TRP A 27 5.604 -0.573 -11.769 1.00 0.00 H new ATOM 0 HB3 TRP A 27 7.010 -1.606 -11.941 1.00 0.00 H new ATOM 0 HD1 TRP A 27 9.361 0.346 -11.246 1.00 0.00 H new ATOM 0 HE1 TRP A 27 9.660 1.308 -8.866 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.566 -0.260 -9.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 8.043 1.713 -6.603 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 4.021 0.429 -7.283 1.00 0.00 H new ATOM 0 HH2 TRP A 27 5.735 1.411 -5.816 1.00 0.00 H new ATOM 463 N SER A 28 7.593 -1.744 -14.570 1.00 0.00 N ATOM 464 CA SER A 28 7.340 -2.767 -15.563 1.00 0.00 C ATOM 465 C SER A 28 6.207 -3.664 -15.082 1.00 0.00 C ATOM 466 O SER A 28 6.055 -3.882 -13.875 1.00 0.00 O ATOM 467 CB SER A 28 8.610 -3.585 -15.808 1.00 0.00 C ATOM 468 OG SER A 28 9.164 -4.056 -14.588 1.00 0.00 O ATOM 0 H SER A 28 8.476 -1.849 -14.070 1.00 0.00 H new ATOM 0 HA SER A 28 7.048 -2.301 -16.504 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.381 -4.431 -16.456 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.344 -2.972 -16.331 1.00 0.00 H new ATOM 0 HG SER A 28 9.973 -4.576 -14.775 1.00 0.00 H new ATOM 474 N GLU A 29 5.411 -4.179 -16.013 1.00 0.00 N ATOM 475 CA GLU A 29 4.273 -5.023 -15.659 1.00 0.00 C ATOM 476 C GLU A 29 4.715 -6.265 -14.892 1.00 0.00 C ATOM 477 O GLU A 29 3.910 -6.911 -14.236 1.00 0.00 O ATOM 478 CB GLU A 29 3.484 -5.431 -16.902 1.00 0.00 C ATOM 479 CG GLU A 29 2.781 -4.269 -17.581 1.00 0.00 C ATOM 480 CD GLU A 29 1.898 -4.718 -18.723 1.00 0.00 C ATOM 481 OE1 GLU A 29 2.415 -4.903 -19.844 1.00 0.00 O ATOM 482 OE2 GLU A 29 0.679 -4.889 -18.508 1.00 0.00 O ATOM 0 H GLU A 29 5.531 -4.028 -17.015 1.00 0.00 H new ATOM 0 HA GLU A 29 3.625 -4.433 -15.011 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.161 -5.902 -17.614 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.743 -6.181 -16.623 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.178 -3.734 -16.847 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.525 -3.566 -17.955 1.00 0.00 H new ATOM 489 N ASP A 30 5.992 -6.599 -14.979 1.00 0.00 N ATOM 490 CA ASP A 30 6.542 -7.711 -14.215 1.00 0.00 C ATOM 491 C ASP A 30 6.531 -7.373 -12.729 1.00 0.00 C ATOM 492 O ASP A 30 5.855 -8.024 -11.924 1.00 0.00 O ATOM 493 CB ASP A 30 7.978 -8.012 -14.660 1.00 0.00 C ATOM 494 CG ASP A 30 8.100 -8.185 -16.158 1.00 0.00 C ATOM 495 OD1 ASP A 30 8.299 -7.171 -16.857 1.00 0.00 O ATOM 496 OD2 ASP A 30 7.991 -9.327 -16.649 1.00 0.00 O ATOM 0 H ASP A 30 6.669 -6.117 -15.571 1.00 0.00 H new ATOM 0 HA ASP A 30 5.926 -8.592 -14.394 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.632 -7.202 -14.337 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.325 -8.918 -14.164 1.00 0.00 H new ATOM 501 N TYR A 31 7.254 -6.318 -12.380 1.00 0.00 N ATOM 502 CA TYR A 31 7.394 -5.905 -10.992 1.00 0.00 C ATOM 503 C TYR A 31 6.085 -5.340 -10.456 1.00 0.00 C ATOM 504 O TYR A 31 5.681 -5.651 -9.339 1.00 0.00 O ATOM 505 CB TYR A 31 8.512 -4.864 -10.866 1.00 0.00 C ATOM 506 CG TYR A 31 8.825 -4.458 -9.439 1.00 0.00 C ATOM 507 CD1 TYR A 31 9.547 -5.300 -8.603 1.00 0.00 C ATOM 508 CD2 TYR A 31 8.404 -3.234 -8.933 1.00 0.00 C ATOM 509 CE1 TYR A 31 9.840 -4.934 -7.302 1.00 0.00 C ATOM 510 CE2 TYR A 31 8.696 -2.861 -7.634 1.00 0.00 C ATOM 511 CZ TYR A 31 9.414 -3.714 -6.823 1.00 0.00 C ATOM 512 OH TYR A 31 9.713 -3.346 -5.528 1.00 0.00 O ATOM 0 H TYR A 31 7.756 -5.729 -13.045 1.00 0.00 H new ATOM 0 HA TYR A 31 7.653 -6.781 -10.397 1.00 0.00 H new ATOM 0 HB2 TYR A 31 9.417 -5.262 -11.326 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.231 -3.975 -11.431 1.00 0.00 H new ATOM 0 HD1 TYR A 31 9.885 -6.256 -8.975 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.840 -2.564 -9.564 1.00 0.00 H new ATOM 0 HE1 TYR A 31 10.400 -5.601 -6.664 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.363 -1.906 -7.256 1.00 0.00 H new ATOM 0 HH TYR A 31 8.910 -3.425 -4.972 1.00 0.00 H new ATOM 522 N GLN A 32 5.411 -4.531 -11.264 1.00 0.00 N ATOM 523 CA GLN A 32 4.206 -3.848 -10.814 1.00 0.00 C ATOM 524 C GLN A 32 3.053 -4.828 -10.589 1.00 0.00 C ATOM 525 O GLN A 32 2.255 -4.650 -9.669 1.00 0.00 O ATOM 526 CB GLN A 32 3.791 -2.764 -11.804 1.00 0.00 C ATOM 527 CG GLN A 32 2.684 -1.876 -11.271 1.00 0.00 C ATOM 528 CD GLN A 32 2.294 -0.773 -12.225 1.00 0.00 C ATOM 529 OE1 GLN A 32 3.111 -0.274 -12.997 1.00 0.00 O ATOM 530 NE2 GLN A 32 1.032 -0.388 -12.170 1.00 0.00 N ATOM 0 H GLN A 32 5.677 -4.333 -12.229 1.00 0.00 H new ATOM 0 HA GLN A 32 4.440 -3.378 -9.859 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.658 -2.150 -12.048 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.461 -3.232 -12.731 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.808 -2.488 -11.056 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.004 -1.435 -10.327 1.00 0.00 H new ATOM 0 HE21 GLN A 32 0.391 -0.832 -11.512 1.00 0.00 H new ATOM 0 HE22 GLN A 32 0.698 0.354 -12.785 1.00 0.00 H new ATOM 539 N ARG A 33 2.967 -5.864 -11.416 1.00 0.00 N ATOM 540 CA ARG A 33 1.952 -6.896 -11.221 1.00 0.00 C ATOM 541 C ARG A 33 2.244 -7.654 -9.934 1.00 0.00 C ATOM 542 O ARG A 33 1.330 -8.029 -9.197 1.00 0.00 O ATOM 543 CB ARG A 33 1.919 -7.852 -12.412 1.00 0.00 C ATOM 544 CG ARG A 33 0.859 -8.934 -12.323 1.00 0.00 C ATOM 545 CD ARG A 33 0.822 -9.755 -13.600 1.00 0.00 C ATOM 546 NE ARG A 33 -0.148 -10.846 -13.538 1.00 0.00 N ATOM 547 CZ ARG A 33 -0.803 -11.314 -14.600 1.00 0.00 C ATOM 548 NH1 ARG A 33 -0.663 -10.717 -15.778 1.00 0.00 N ATOM 549 NH2 ARG A 33 -1.616 -12.355 -14.480 1.00 0.00 N ATOM 0 H ARG A 33 3.579 -6.012 -12.219 1.00 0.00 H new ATOM 0 HA ARG A 33 0.973 -6.424 -11.145 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.754 -7.274 -13.321 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.896 -8.326 -12.508 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.066 -9.584 -11.473 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -0.117 -8.481 -12.148 1.00 0.00 H new ATOM 0 HD2 ARG A 33 0.578 -9.104 -14.439 1.00 0.00 H new ATOM 0 HD3 ARG A 33 1.813 -10.165 -13.793 1.00 0.00 H new ATOM 0 HE ARG A 33 -0.334 -11.273 -12.631 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -0.055 -9.903 -15.868 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -1.163 -11.073 -16.593 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -1.742 -12.801 -13.572 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.115 -12.709 -15.296 1.00 0.00 H new ATOM 563 N SER A 34 3.528 -7.858 -9.661 1.00 0.00 N ATOM 564 CA SER A 34 3.953 -8.440 -8.399 1.00 0.00 C ATOM 565 C SER A 34 3.523 -7.540 -7.241 1.00 0.00 C ATOM 566 O SER A 34 3.099 -8.026 -6.193 1.00 0.00 O ATOM 567 CB SER A 34 5.470 -8.636 -8.389 1.00 0.00 C ATOM 568 OG SER A 34 5.886 -9.432 -9.486 1.00 0.00 O ATOM 0 H SER A 34 4.290 -7.628 -10.298 1.00 0.00 H new ATOM 0 HA SER A 34 3.480 -9.415 -8.281 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.966 -7.666 -8.430 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.773 -9.110 -7.455 1.00 0.00 H new ATOM 0 HG SER A 34 5.856 -8.898 -10.307 1.00 0.00 H new ATOM 574 N VAL A 35 3.618 -6.226 -7.450 1.00 0.00 N ATOM 575 CA VAL A 35 3.158 -5.246 -6.468 1.00 0.00 C ATOM 576 C VAL A 35 1.670 -5.423 -6.190 1.00 0.00 C ATOM 577 O VAL A 35 1.251 -5.471 -5.035 1.00 0.00 O ATOM 578 CB VAL A 35 3.416 -3.792 -6.941 1.00 0.00 C ATOM 579 CG1 VAL A 35 2.864 -2.782 -5.942 1.00 0.00 C ATOM 580 CG2 VAL A 35 4.900 -3.557 -7.160 1.00 0.00 C ATOM 0 H VAL A 35 4.012 -5.815 -8.296 1.00 0.00 H new ATOM 0 HA VAL A 35 3.727 -5.420 -5.555 1.00 0.00 H new ATOM 0 HB VAL A 35 2.895 -3.652 -7.888 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.060 -1.771 -6.300 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.789 -2.927 -5.834 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.348 -2.924 -4.976 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.061 -2.531 -7.492 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.437 -3.725 -6.226 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.269 -4.246 -7.920 1.00 0.00 H new ATOM 590 N TRP A 36 0.886 -5.540 -7.257 1.00 0.00 N ATOM 591 CA TRP A 36 -0.562 -5.695 -7.143 1.00 0.00 C ATOM 592 C TRP A 36 -0.919 -6.913 -6.292 1.00 0.00 C ATOM 593 O TRP A 36 -1.612 -6.789 -5.283 1.00 0.00 O ATOM 594 CB TRP A 36 -1.195 -5.808 -8.536 1.00 0.00 C ATOM 595 CG TRP A 36 -2.683 -5.975 -8.507 1.00 0.00 C ATOM 596 CD1 TRP A 36 -3.404 -6.975 -9.092 1.00 0.00 C ATOM 597 CD2 TRP A 36 -3.631 -5.126 -7.852 1.00 0.00 C ATOM 598 NE1 TRP A 36 -4.742 -6.797 -8.847 1.00 0.00 N ATOM 599 CE2 TRP A 36 -4.907 -5.671 -8.086 1.00 0.00 C ATOM 600 CE3 TRP A 36 -3.525 -3.957 -7.092 1.00 0.00 C ATOM 601 CZ2 TRP A 36 -6.068 -5.089 -7.584 1.00 0.00 C ATOM 602 CZ3 TRP A 36 -4.677 -3.381 -6.594 1.00 0.00 C ATOM 603 CH2 TRP A 36 -5.934 -3.947 -6.843 1.00 0.00 C ATOM 0 H TRP A 36 1.231 -5.530 -8.217 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.961 -4.810 -6.647 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.949 -4.915 -9.111 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.753 -6.656 -9.059 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -2.983 -7.788 -9.664 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -5.492 -7.404 -9.178 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.560 -3.513 -6.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -7.039 -5.523 -7.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.608 -2.480 -6.003 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.816 -3.471 -6.441 1.00 0.00 H new ATOM 614 N THR A 37 -0.414 -8.079 -6.680 1.00 0.00 N ATOM 615 CA THR A 37 -0.697 -9.312 -5.955 1.00 0.00 C ATOM 616 C THR A 37 -0.141 -9.250 -4.525 1.00 0.00 C ATOM 617 O THR A 37 -0.711 -9.827 -3.593 1.00 0.00 O ATOM 618 CB THR A 37 -0.114 -10.530 -6.701 1.00 0.00 C ATOM 619 OG1 THR A 37 -0.587 -10.540 -8.057 1.00 0.00 O ATOM 620 CG2 THR A 37 -0.504 -11.835 -6.023 1.00 0.00 C ATOM 0 H THR A 37 0.193 -8.196 -7.492 1.00 0.00 H new ATOM 0 HA THR A 37 -1.780 -9.424 -5.898 1.00 0.00 H new ATOM 0 HB THR A 37 0.973 -10.445 -6.684 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.213 -11.314 -8.528 1.00 0.00 H new ATOM 0 HG21 THR A 37 -0.077 -12.673 -6.574 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.125 -11.842 -5.001 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.590 -11.927 -6.008 1.00 0.00 H new ATOM 628 N ARG A 38 0.962 -8.532 -4.354 1.00 0.00 N ATOM 629 CA ARG A 38 1.554 -8.330 -3.038 1.00 0.00 C ATOM 630 C ARG A 38 0.622 -7.498 -2.160 1.00 0.00 C ATOM 631 O ARG A 38 0.415 -7.811 -0.985 1.00 0.00 O ATOM 632 CB ARG A 38 2.917 -7.650 -3.180 1.00 0.00 C ATOM 633 CG ARG A 38 3.593 -7.312 -1.863 1.00 0.00 C ATOM 634 CD ARG A 38 5.020 -6.842 -2.091 1.00 0.00 C ATOM 635 NE ARG A 38 5.858 -7.908 -2.637 1.00 0.00 N ATOM 636 CZ ARG A 38 6.946 -7.710 -3.381 1.00 0.00 C ATOM 637 NH1 ARG A 38 7.316 -6.481 -3.725 1.00 0.00 N ATOM 638 NH2 ARG A 38 7.656 -8.750 -3.799 1.00 0.00 N ATOM 0 H ARG A 38 1.467 -8.078 -5.115 1.00 0.00 H new ATOM 0 HA ARG A 38 1.697 -9.298 -2.559 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.575 -8.301 -3.755 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.793 -6.733 -3.756 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.028 -6.535 -1.348 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.594 -8.188 -1.215 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.019 -5.993 -2.775 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.443 -6.492 -1.149 1.00 0.00 H new ATOM 0 HE ARG A 38 5.591 -8.871 -2.434 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.766 -5.678 -3.419 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.150 -6.340 -4.295 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.369 -9.697 -3.551 1.00 0.00 H new ATOM 0 HH22 ARG A 38 8.489 -8.603 -4.369 1.00 0.00 H new ATOM 652 N LEU A 39 0.045 -6.456 -2.746 1.00 0.00 N ATOM 653 CA LEU A 39 -0.911 -5.614 -2.042 1.00 0.00 C ATOM 654 C LEU A 39 -2.150 -6.421 -1.669 1.00 0.00 C ATOM 655 O LEU A 39 -2.603 -6.372 -0.525 1.00 0.00 O ATOM 656 CB LEU A 39 -1.307 -4.408 -2.900 1.00 0.00 C ATOM 657 CG LEU A 39 -0.169 -3.443 -3.242 1.00 0.00 C ATOM 658 CD1 LEU A 39 -0.674 -2.319 -4.132 1.00 0.00 C ATOM 659 CD2 LEU A 39 0.457 -2.878 -1.976 1.00 0.00 C ATOM 0 H LEU A 39 0.224 -6.174 -3.710 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.439 -5.248 -1.130 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.743 -4.773 -3.830 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.087 -3.853 -2.378 1.00 0.00 H new ATOM 0 HG LEU A 39 0.597 -3.997 -3.784 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.148 -1.642 -4.365 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.073 -2.738 -5.056 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.460 -1.770 -3.614 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.263 -2.195 -2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.300 -2.341 -1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.857 -3.693 -1.373 1.00 0.00 H new ATOM 671 N GLU A 40 -2.667 -7.182 -2.636 1.00 0.00 N ATOM 672 CA GLU A 40 -3.838 -8.035 -2.418 1.00 0.00 C ATOM 673 C GLU A 40 -3.626 -8.960 -1.223 1.00 0.00 C ATOM 674 O GLU A 40 -4.551 -9.230 -0.457 1.00 0.00 O ATOM 675 CB GLU A 40 -4.123 -8.894 -3.657 1.00 0.00 C ATOM 676 CG GLU A 40 -4.436 -8.108 -4.918 1.00 0.00 C ATOM 677 CD GLU A 40 -4.707 -9.018 -6.100 1.00 0.00 C ATOM 678 OE1 GLU A 40 -3.738 -9.559 -6.676 1.00 0.00 O ATOM 679 OE2 GLU A 40 -5.890 -9.218 -6.449 1.00 0.00 O ATOM 0 H GLU A 40 -2.291 -7.225 -3.583 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.685 -7.378 -2.223 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.259 -9.530 -3.847 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.963 -9.554 -3.439 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.304 -7.472 -4.743 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.600 -7.449 -5.152 1.00 0.00 H new ATOM 686 N THR A 41 -2.399 -9.435 -1.072 1.00 0.00 N ATOM 687 CA THR A 41 -2.073 -10.399 -0.037 1.00 0.00 C ATOM 688 C THR A 41 -2.013 -9.756 1.354 1.00 0.00 C ATOM 689 O THR A 41 -2.666 -10.224 2.289 1.00 0.00 O ATOM 690 CB THR A 41 -0.727 -11.095 -0.339 1.00 0.00 C ATOM 691 OG1 THR A 41 -0.775 -11.725 -1.629 1.00 0.00 O ATOM 692 CG2 THR A 41 -0.398 -12.138 0.720 1.00 0.00 C ATOM 0 H THR A 41 -1.609 -9.165 -1.658 1.00 0.00 H new ATOM 0 HA THR A 41 -2.874 -11.138 -0.035 1.00 0.00 H new ATOM 0 HB THR A 41 0.052 -10.333 -0.331 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.802 -11.038 -2.328 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.554 -12.611 0.481 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.330 -11.657 1.696 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.183 -12.894 0.742 1.00 0.00 H new ATOM 700 N TYR A 42 -1.253 -8.678 1.486 1.00 0.00 N ATOM 701 CA TYR A 42 -0.943 -8.137 2.806 1.00 0.00 C ATOM 702 C TYR A 42 -1.729 -6.869 3.136 1.00 0.00 C ATOM 703 O TYR A 42 -2.274 -6.745 4.231 1.00 0.00 O ATOM 704 CB TYR A 42 0.555 -7.836 2.912 1.00 0.00 C ATOM 705 CG TYR A 42 1.444 -9.047 2.734 1.00 0.00 C ATOM 706 CD1 TYR A 42 1.608 -9.970 3.758 1.00 0.00 C ATOM 707 CD2 TYR A 42 2.122 -9.263 1.541 1.00 0.00 C ATOM 708 CE1 TYR A 42 2.422 -11.074 3.600 1.00 0.00 C ATOM 709 CE2 TYR A 42 2.938 -10.365 1.373 1.00 0.00 C ATOM 710 CZ TYR A 42 3.086 -11.267 2.406 1.00 0.00 C ATOM 711 OH TYR A 42 3.900 -12.366 2.245 1.00 0.00 O ATOM 0 H TYR A 42 -0.843 -8.164 0.706 1.00 0.00 H new ATOM 0 HA TYR A 42 -1.236 -8.901 3.527 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.819 -7.092 2.161 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.757 -7.391 3.886 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.090 -9.822 4.694 1.00 0.00 H new ATOM 0 HD2 TYR A 42 2.009 -8.557 0.731 1.00 0.00 H new ATOM 0 HE1 TYR A 42 2.538 -11.783 4.407 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.457 -10.519 0.438 1.00 0.00 H new ATOM 0 HH TYR A 42 4.292 -12.354 1.347 1.00 0.00 H new ATOM 721 N LEU A 43 -1.803 -5.944 2.193 1.00 0.00 N ATOM 722 CA LEU A 43 -2.231 -4.583 2.503 1.00 0.00 C ATOM 723 C LEU A 43 -3.704 -4.352 2.151 1.00 0.00 C ATOM 724 O LEU A 43 -4.174 -3.217 2.110 1.00 0.00 O ATOM 725 CB LEU A 43 -1.336 -3.597 1.747 1.00 0.00 C ATOM 726 CG LEU A 43 -1.195 -2.216 2.384 1.00 0.00 C ATOM 727 CD1 LEU A 43 -0.632 -2.335 3.791 1.00 0.00 C ATOM 728 CD2 LEU A 43 -0.301 -1.331 1.534 1.00 0.00 C ATOM 0 H LEU A 43 -1.575 -6.105 1.212 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.135 -4.425 3.577 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.343 -4.036 1.649 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.731 -3.474 0.739 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.183 -1.760 2.443 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.538 -1.342 4.230 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.303 -2.940 4.401 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.349 -2.809 3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.210 -0.350 2.001 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.686 -1.785 1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.736 -1.221 0.541 1.00 0.00 H new ATOM 740 N PHE A 44 -4.430 -5.431 1.915 1.00 0.00 N ATOM 741 CA PHE A 44 -5.848 -5.347 1.569 1.00 0.00 C ATOM 742 C PHE A 44 -6.786 -5.844 2.687 1.00 0.00 C ATOM 743 O PHE A 44 -7.762 -5.165 2.998 1.00 0.00 O ATOM 744 CB PHE A 44 -6.131 -6.119 0.275 1.00 0.00 C ATOM 745 CG PHE A 44 -5.914 -5.316 -0.978 1.00 0.00 C ATOM 746 CD1 PHE A 44 -5.022 -4.255 -1.002 1.00 0.00 C ATOM 747 CD2 PHE A 44 -6.611 -5.625 -2.136 1.00 0.00 C ATOM 748 CE1 PHE A 44 -4.829 -3.520 -2.154 1.00 0.00 C ATOM 749 CE2 PHE A 44 -6.422 -4.892 -3.290 1.00 0.00 C ATOM 750 CZ PHE A 44 -5.530 -3.839 -3.300 1.00 0.00 C ATOM 0 H PHE A 44 -4.064 -6.382 1.956 1.00 0.00 H new ATOM 0 HA PHE A 44 -6.060 -4.287 1.428 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.492 -7.001 0.244 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -7.162 -6.473 0.293 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.471 -4.001 -0.108 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.310 -6.449 -2.135 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.131 -2.696 -2.159 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.972 -5.142 -4.185 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.380 -3.265 -4.203 1.00 0.00 H new ATOM 760 N PRO A 45 -6.514 -7.014 3.316 1.00 0.00 N ATOM 761 CA PRO A 45 -7.473 -7.666 4.233 1.00 0.00 C ATOM 762 C PRO A 45 -8.000 -6.760 5.350 1.00 0.00 C ATOM 763 O PRO A 45 -9.201 -6.735 5.625 1.00 0.00 O ATOM 764 CB PRO A 45 -6.666 -8.817 4.835 1.00 0.00 C ATOM 765 CG PRO A 45 -5.616 -9.113 3.827 1.00 0.00 C ATOM 766 CD PRO A 45 -5.268 -7.796 3.201 1.00 0.00 C ATOM 0 HA PRO A 45 -8.370 -7.967 3.692 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.227 -8.534 5.792 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.295 -9.688 5.018 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.742 -9.567 4.294 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.980 -9.818 3.079 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.442 -7.311 3.721 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -4.964 -7.915 2.161 1.00 0.00 H new ATOM 774 N ASP A 46 -7.109 -6.019 5.992 1.00 0.00 N ATOM 775 CA ASP A 46 -7.486 -5.231 7.163 1.00 0.00 C ATOM 776 C ASP A 46 -7.983 -3.844 6.765 1.00 0.00 C ATOM 777 O ASP A 46 -9.165 -3.531 6.898 1.00 0.00 O ATOM 778 CB ASP A 46 -6.291 -5.098 8.111 1.00 0.00 C ATOM 779 CG ASP A 46 -6.681 -4.514 9.456 1.00 0.00 C ATOM 780 OD1 ASP A 46 -6.729 -3.277 9.592 1.00 0.00 O ATOM 781 OD2 ASP A 46 -6.944 -5.304 10.389 1.00 0.00 O ATOM 0 H ASP A 46 -6.127 -5.945 5.727 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.299 -5.752 7.669 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.839 -6.078 8.261 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.533 -4.465 7.649 1.00 0.00 H new ATOM 786 N ILE A 47 -7.073 -3.042 6.236 1.00 0.00 N ATOM 787 CA ILE A 47 -7.342 -1.638 5.948 1.00 0.00 C ATOM 788 C ILE A 47 -8.173 -1.456 4.680 1.00 0.00 C ATOM 789 O ILE A 47 -8.725 -0.383 4.441 1.00 0.00 O ATOM 790 CB ILE A 47 -6.015 -0.872 5.776 1.00 0.00 C ATOM 791 CG1 ILE A 47 -5.129 -1.594 4.757 1.00 0.00 C ATOM 792 CG2 ILE A 47 -5.299 -0.733 7.113 1.00 0.00 C ATOM 793 CD1 ILE A 47 -3.751 -0.996 4.606 1.00 0.00 C ATOM 0 H ILE A 47 -6.129 -3.343 5.994 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.910 -1.245 6.792 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.230 0.130 5.406 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.030 -2.638 5.053 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.626 -1.584 3.787 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.365 -0.190 6.971 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.934 -0.187 7.811 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.085 -1.723 7.516 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.187 -1.564 3.867 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.838 0.040 4.278 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.232 -1.031 5.564 1.00 0.00 H new ATOM 805 N GLY A 48 -8.272 -2.501 3.876 1.00 0.00 N ATOM 806 CA GLY A 48 -8.971 -2.395 2.614 1.00 0.00 C ATOM 807 C GLY A 48 -10.475 -2.461 2.765 1.00 0.00 C ATOM 808 O GLY A 48 -11.207 -1.922 1.937 1.00 0.00 O ATOM 0 H GLY A 48 -7.881 -3.422 4.074 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.700 -1.455 2.133 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.642 -3.198 1.954 1.00 0.00 H new ATOM 812 N ASN A 49 -10.938 -3.121 3.818 1.00 0.00 N ATOM 813 CA ASN A 49 -12.370 -3.290 4.037 1.00 0.00 C ATOM 814 C ASN A 49 -12.934 -2.113 4.829 1.00 0.00 C ATOM 815 O ASN A 49 -14.141 -1.870 4.844 1.00 0.00 O ATOM 816 CB ASN A 49 -12.637 -4.613 4.766 1.00 0.00 C ATOM 817 CG ASN A 49 -14.116 -4.901 4.941 1.00 0.00 C ATOM 818 OD1 ASN A 49 -14.773 -5.413 4.034 1.00 0.00 O ATOM 819 ND2 ASN A 49 -14.648 -4.603 6.115 1.00 0.00 N ATOM 0 H ASN A 49 -10.347 -3.547 4.532 1.00 0.00 H new ATOM 0 HA ASN A 49 -12.872 -3.318 3.070 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -12.176 -5.429 4.209 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -12.159 -4.586 5.745 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -15.634 -4.797 6.292 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -14.073 -4.179 6.843 1.00 0.00 H new ATOM 826 N LYS A 50 -12.046 -1.375 5.471 1.00 0.00 N ATOM 827 CA LYS A 50 -12.439 -0.227 6.267 1.00 0.00 C ATOM 828 C LYS A 50 -12.216 1.059 5.478 1.00 0.00 C ATOM 829 O LYS A 50 -11.351 1.112 4.603 1.00 0.00 O ATOM 830 CB LYS A 50 -11.638 -0.204 7.578 1.00 0.00 C ATOM 831 CG LYS A 50 -11.905 1.012 8.456 1.00 0.00 C ATOM 832 CD LYS A 50 -13.346 1.068 8.932 1.00 0.00 C ATOM 833 CE LYS A 50 -13.629 2.370 9.660 1.00 0.00 C ATOM 834 NZ LYS A 50 -15.030 2.449 10.147 1.00 0.00 N ATOM 0 H LYS A 50 -11.042 -1.552 5.456 1.00 0.00 H new ATOM 0 HA LYS A 50 -13.499 -0.303 6.507 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.868 -1.105 8.146 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.575 -0.240 7.341 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.239 0.989 9.319 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.672 1.919 7.898 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.018 0.970 8.080 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.547 0.226 9.594 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.947 2.467 10.505 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.431 3.208 8.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.177 3.354 10.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.682 2.383 9.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -15.213 1.665 10.806 1.00 0.00 H new ATOM 848 N ASP A 51 -13.024 2.076 5.770 1.00 0.00 N ATOM 849 CA ASP A 51 -12.835 3.403 5.194 1.00 0.00 C ATOM 850 C ASP A 51 -11.425 3.893 5.471 1.00 0.00 C ATOM 851 O ASP A 51 -11.059 4.138 6.620 1.00 0.00 O ATOM 852 CB ASP A 51 -13.841 4.404 5.769 1.00 0.00 C ATOM 853 CG ASP A 51 -15.269 4.094 5.378 1.00 0.00 C ATOM 854 OD1 ASP A 51 -15.937 3.337 6.109 1.00 0.00 O ATOM 855 OD2 ASP A 51 -15.732 4.612 4.341 1.00 0.00 O ATOM 0 H ASP A 51 -13.819 2.004 6.405 1.00 0.00 H new ATOM 0 HA ASP A 51 -12.996 3.327 4.119 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -13.760 4.409 6.856 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -13.585 5.406 5.426 1.00 0.00 H new ATOM 860 N ILE A 52 -10.645 4.038 4.414 1.00 0.00 N ATOM 861 CA ILE A 52 -9.240 4.401 4.535 1.00 0.00 C ATOM 862 C ILE A 52 -9.092 5.817 5.101 1.00 0.00 C ATOM 863 O ILE A 52 -8.061 6.172 5.665 1.00 0.00 O ATOM 864 CB ILE A 52 -8.543 4.277 3.157 1.00 0.00 C ATOM 865 CG1 ILE A 52 -7.041 3.977 3.304 1.00 0.00 C ATOM 866 CG2 ILE A 52 -8.762 5.535 2.337 1.00 0.00 C ATOM 867 CD1 ILE A 52 -6.150 5.200 3.335 1.00 0.00 C ATOM 0 H ILE A 52 -10.963 3.909 3.453 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.757 3.715 5.231 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.994 3.435 2.632 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -6.886 3.409 4.221 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.730 3.339 2.477 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -8.266 5.431 1.372 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.830 5.687 2.181 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -8.348 6.392 2.868 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.110 4.890 3.441 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.269 5.760 2.408 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.428 5.831 4.179 1.00 0.00 H new ATOM 879 N ALA A 53 -10.153 6.608 4.976 1.00 0.00 N ATOM 880 CA ALA A 53 -10.155 7.977 5.472 1.00 0.00 C ATOM 881 C ALA A 53 -10.531 8.019 6.950 1.00 0.00 C ATOM 882 O ALA A 53 -10.564 9.085 7.563 1.00 0.00 O ATOM 883 CB ALA A 53 -11.114 8.830 4.655 1.00 0.00 C ATOM 0 H ALA A 53 -11.026 6.321 4.533 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.148 8.382 5.367 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.107 9.851 5.035 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.802 8.829 3.611 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.121 8.421 4.733 1.00 0.00 H new ATOM 889 N GLU A 54 -10.819 6.855 7.516 1.00 0.00 N ATOM 890 CA GLU A 54 -11.186 6.759 8.920 1.00 0.00 C ATOM 891 C GLU A 54 -10.199 5.847 9.650 1.00 0.00 C ATOM 892 O GLU A 54 -10.393 5.471 10.809 1.00 0.00 O ATOM 893 CB GLU A 54 -12.624 6.246 9.048 1.00 0.00 C ATOM 894 CG GLU A 54 -13.231 6.445 10.426 1.00 0.00 C ATOM 895 CD GLU A 54 -14.727 6.218 10.434 1.00 0.00 C ATOM 896 OE1 GLU A 54 -15.160 5.056 10.564 1.00 0.00 O ATOM 897 OE2 GLU A 54 -15.481 7.209 10.312 1.00 0.00 O ATOM 0 H GLU A 54 -10.805 5.963 7.022 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.139 7.746 9.381 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -13.247 6.754 8.311 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.643 5.184 8.804 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.758 5.761 11.131 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.018 7.456 10.772 1.00 0.00 H new ATOM 904 N LEU A 55 -9.123 5.508 8.956 1.00 0.00 N ATOM 905 CA LEU A 55 -8.063 4.698 9.531 1.00 0.00 C ATOM 906 C LEU A 55 -7.034 5.587 10.208 1.00 0.00 C ATOM 907 O LEU A 55 -6.773 6.701 9.754 1.00 0.00 O ATOM 908 CB LEU A 55 -7.376 3.861 8.449 1.00 0.00 C ATOM 909 CG LEU A 55 -8.221 2.746 7.839 1.00 0.00 C ATOM 910 CD1 LEU A 55 -7.509 2.143 6.642 1.00 0.00 C ATOM 911 CD2 LEU A 55 -8.505 1.670 8.874 1.00 0.00 C ATOM 0 H LEU A 55 -8.962 5.784 7.987 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.508 4.029 10.268 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.055 4.528 7.649 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.476 3.418 8.875 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.169 3.171 7.508 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.122 1.349 6.216 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.342 2.915 5.891 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.551 1.731 6.958 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.109 0.882 8.423 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.564 1.249 9.228 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.046 2.106 9.713 1.00 0.00 H new ATOM 923 N ASP A 56 -6.461 5.101 11.294 1.00 0.00 N ATOM 924 CA ASP A 56 -5.400 5.824 11.971 1.00 0.00 C ATOM 925 C ASP A 56 -4.054 5.365 11.445 1.00 0.00 C ATOM 926 O ASP A 56 -3.949 4.303 10.818 1.00 0.00 O ATOM 927 CB ASP A 56 -5.453 5.607 13.488 1.00 0.00 C ATOM 928 CG ASP A 56 -6.603 6.331 14.157 1.00 0.00 C ATOM 929 OD1 ASP A 56 -6.437 7.514 14.516 1.00 0.00 O ATOM 930 OD2 ASP A 56 -7.672 5.712 14.348 1.00 0.00 O ATOM 0 H ASP A 56 -6.712 4.211 11.725 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.538 6.887 11.772 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.537 4.540 13.693 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.515 5.944 13.929 1.00 0.00 H new ATOM 935 N THR A 57 -3.022 6.153 11.704 1.00 0.00 N ATOM 936 CA THR A 57 -1.669 5.764 11.356 1.00 0.00 C ATOM 937 C THR A 57 -1.338 4.419 12.003 1.00 0.00 C ATOM 938 O THR A 57 -0.610 3.605 11.440 1.00 0.00 O ATOM 939 CB THR A 57 -0.659 6.829 11.815 1.00 0.00 C ATOM 940 OG1 THR A 57 -1.154 8.134 11.482 1.00 0.00 O ATOM 941 CG2 THR A 57 0.690 6.613 11.153 1.00 0.00 C ATOM 0 H THR A 57 -3.098 7.065 12.154 1.00 0.00 H new ATOM 0 HA THR A 57 -1.602 5.673 10.272 1.00 0.00 H new ATOM 0 HB THR A 57 -0.533 6.746 12.894 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.511 8.813 11.776 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.388 7.378 11.492 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.073 5.628 11.420 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.579 6.678 10.071 1.00 0.00 H new ATOM 949 N GLY A 58 -1.925 4.183 13.176 1.00 0.00 N ATOM 950 CA GLY A 58 -1.745 2.921 13.866 1.00 0.00 C ATOM 951 C GLY A 58 -2.361 1.759 13.110 1.00 0.00 C ATOM 952 O GLY A 58 -1.781 0.677 13.056 1.00 0.00 O ATOM 0 H GLY A 58 -2.525 4.850 13.661 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.680 2.736 14.008 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.193 2.985 14.858 1.00 0.00 H new ATOM 956 N ASP A 59 -3.523 1.992 12.501 1.00 0.00 N ATOM 957 CA ASP A 59 -4.215 0.954 11.735 1.00 0.00 C ATOM 958 C ASP A 59 -3.405 0.556 10.514 1.00 0.00 C ATOM 959 O ASP A 59 -3.512 -0.562 10.028 1.00 0.00 O ATOM 960 CB ASP A 59 -5.605 1.415 11.288 1.00 0.00 C ATOM 961 CG ASP A 59 -6.604 1.463 12.423 1.00 0.00 C ATOM 962 OD1 ASP A 59 -6.918 0.395 12.989 1.00 0.00 O ATOM 963 OD2 ASP A 59 -7.080 2.570 12.754 1.00 0.00 O ATOM 0 H ASP A 59 -4.006 2.890 12.523 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.328 0.093 12.394 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.526 2.405 10.838 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.974 0.742 10.514 1.00 0.00 H new ATOM 968 N LEU A 60 -2.613 1.490 10.012 1.00 0.00 N ATOM 969 CA LEU A 60 -1.712 1.217 8.898 1.00 0.00 C ATOM 970 C LEU A 60 -0.452 0.503 9.389 1.00 0.00 C ATOM 971 O LEU A 60 0.065 -0.418 8.738 1.00 0.00 O ATOM 972 CB LEU A 60 -1.349 2.532 8.209 1.00 0.00 C ATOM 973 CG LEU A 60 -2.522 3.244 7.531 1.00 0.00 C ATOM 974 CD1 LEU A 60 -2.292 4.744 7.501 1.00 0.00 C ATOM 975 CD2 LEU A 60 -2.713 2.713 6.119 1.00 0.00 C ATOM 0 H LEU A 60 -2.574 2.449 10.359 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.212 0.563 8.184 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.911 3.204 8.947 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.580 2.335 7.462 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.426 3.046 8.107 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.137 5.232 7.015 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.194 5.118 8.520 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.379 4.961 6.946 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.550 3.227 5.647 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.807 2.887 5.539 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.919 1.643 6.157 1.00 0.00 H new ATOM 987 N LEU A 61 0.026 0.919 10.553 1.00 0.00 N ATOM 988 CA LEU A 61 1.237 0.359 11.129 1.00 0.00 C ATOM 989 C LEU A 61 1.073 -1.119 11.463 1.00 0.00 C ATOM 990 O LEU A 61 2.026 -1.877 11.357 1.00 0.00 O ATOM 991 CB LEU A 61 1.650 1.128 12.386 1.00 0.00 C ATOM 992 CG LEU A 61 2.128 2.562 12.150 1.00 0.00 C ATOM 993 CD1 LEU A 61 2.486 3.224 13.472 1.00 0.00 C ATOM 994 CD2 LEU A 61 3.320 2.579 11.203 1.00 0.00 C ATOM 0 H LEU A 61 -0.410 1.647 11.119 1.00 0.00 H new ATOM 0 HA LEU A 61 2.020 0.455 10.377 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.802 1.154 13.071 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.446 0.575 12.885 1.00 0.00 H new ATOM 0 HG LEU A 61 1.317 3.126 11.689 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.824 4.244 13.288 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.609 3.244 14.118 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.282 2.660 13.958 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.646 3.607 11.047 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.137 2.001 11.636 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.032 2.141 10.247 1.00 0.00 H new ATOM 1006 N VAL A 62 -0.130 -1.528 11.855 1.00 0.00 N ATOM 1007 CA VAL A 62 -0.361 -2.914 12.261 1.00 0.00 C ATOM 1008 C VAL A 62 -0.074 -3.911 11.126 1.00 0.00 C ATOM 1009 O VAL A 62 0.719 -4.827 11.321 1.00 0.00 O ATOM 1010 CB VAL A 62 -1.783 -3.141 12.826 1.00 0.00 C ATOM 1011 CG1 VAL A 62 -1.990 -4.605 13.188 1.00 0.00 C ATOM 1012 CG2 VAL A 62 -2.013 -2.267 14.050 1.00 0.00 C ATOM 0 H VAL A 62 -0.954 -0.928 11.901 1.00 0.00 H new ATOM 0 HA VAL A 62 0.350 -3.103 13.066 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.503 -2.867 12.055 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.996 -4.743 13.583 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.862 -5.221 12.298 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.260 -4.900 13.942 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.018 -2.438 14.436 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.282 -2.517 14.819 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.904 -1.218 13.774 1.00 0.00 H new ATOM 1022 N PRO A 63 -0.706 -3.778 9.934 1.00 0.00 N ATOM 1023 CA PRO A 63 -0.396 -4.644 8.791 1.00 0.00 C ATOM 1024 C PRO A 63 1.073 -4.562 8.380 1.00 0.00 C ATOM 1025 O PRO A 63 1.691 -5.585 8.078 1.00 0.00 O ATOM 1026 CB PRO A 63 -1.304 -4.138 7.663 1.00 0.00 C ATOM 1027 CG PRO A 63 -1.812 -2.813 8.115 1.00 0.00 C ATOM 1028 CD PRO A 63 -1.785 -2.833 9.618 1.00 0.00 C ATOM 0 HA PRO A 63 -0.567 -5.693 9.034 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.752 -4.047 6.728 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.126 -4.831 7.482 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.190 -2.007 7.727 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.824 -2.640 7.748 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.584 -1.843 10.028 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.739 -3.161 10.031 1.00 0.00 H new ATOM 1036 N ILE A 64 1.638 -3.354 8.378 1.00 0.00 N ATOM 1037 CA ILE A 64 3.061 -3.193 8.072 1.00 0.00 C ATOM 1038 C ILE A 64 3.906 -3.970 9.085 1.00 0.00 C ATOM 1039 O ILE A 64 4.797 -4.742 8.725 1.00 0.00 O ATOM 1040 CB ILE A 64 3.476 -1.705 8.083 1.00 0.00 C ATOM 1041 CG1 ILE A 64 2.651 -0.922 7.058 1.00 0.00 C ATOM 1042 CG2 ILE A 64 4.965 -1.562 7.793 1.00 0.00 C ATOM 1043 CD1 ILE A 64 2.858 0.577 7.122 1.00 0.00 C ATOM 0 H ILE A 64 1.143 -2.486 8.581 1.00 0.00 H new ATOM 0 HA ILE A 64 3.233 -3.587 7.071 1.00 0.00 H new ATOM 0 HB ILE A 64 3.282 -1.296 9.074 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.905 -1.272 6.057 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.594 -1.140 7.213 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.238 -0.507 7.805 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.537 -2.094 8.554 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.187 -1.983 6.812 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.240 1.062 6.366 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.576 0.941 8.110 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.907 0.808 6.936 1.00 0.00 H new ATOM 1055 N LYS A 65 3.581 -3.770 10.354 1.00 0.00 N ATOM 1056 CA LYS A 65 4.239 -4.448 11.465 1.00 0.00 C ATOM 1057 C LYS A 65 4.018 -5.957 11.389 1.00 0.00 C ATOM 1058 O LYS A 65 4.871 -6.744 11.791 1.00 0.00 O ATOM 1059 CB LYS A 65 3.674 -3.898 12.775 1.00 0.00 C ATOM 1060 CG LYS A 65 4.266 -4.494 14.035 1.00 0.00 C ATOM 1061 CD LYS A 65 3.552 -3.953 15.259 1.00 0.00 C ATOM 1062 CE LYS A 65 4.203 -4.426 16.543 1.00 0.00 C ATOM 1063 NZ LYS A 65 5.594 -3.913 16.680 1.00 0.00 N ATOM 0 H LYS A 65 2.846 -3.126 10.646 1.00 0.00 H new ATOM 0 HA LYS A 65 5.313 -4.266 11.415 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.830 -2.819 12.795 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.597 -4.064 12.785 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.181 -5.580 14.006 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.329 -4.259 14.092 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.555 -2.863 15.230 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.509 -4.270 15.242 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.608 -4.096 17.395 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.214 -5.516 16.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.909 -4.021 17.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.226 -4.452 16.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.621 -2.907 16.417 1.00 0.00 H new ATOM 1077 N LYS A 66 2.865 -6.345 10.865 1.00 0.00 N ATOM 1078 CA LYS A 66 2.502 -7.748 10.728 1.00 0.00 C ATOM 1079 C LYS A 66 3.453 -8.457 9.771 1.00 0.00 C ATOM 1080 O LYS A 66 3.773 -9.633 9.953 1.00 0.00 O ATOM 1081 CB LYS A 66 1.056 -7.861 10.240 1.00 0.00 C ATOM 1082 CG LYS A 66 0.534 -9.282 10.158 1.00 0.00 C ATOM 1083 CD LYS A 66 -0.945 -9.301 9.816 1.00 0.00 C ATOM 1084 CE LYS A 66 -1.476 -10.719 9.687 1.00 0.00 C ATOM 1085 NZ LYS A 66 -0.956 -11.407 8.477 1.00 0.00 N ATOM 0 H LYS A 66 2.155 -5.697 10.523 1.00 0.00 H new ATOM 0 HA LYS A 66 2.584 -8.233 11.701 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.413 -7.288 10.909 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.981 -7.401 9.255 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.092 -9.835 9.403 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.697 -9.788 11.109 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.504 -8.773 10.589 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.109 -8.765 8.881 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.201 -11.290 10.574 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.565 -10.695 9.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.434 -12.324 8.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.137 -10.819 7.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.068 -11.561 8.578 1.00 0.00 H new ATOM 1099 N ILE A 67 3.913 -7.736 8.758 1.00 0.00 N ATOM 1100 CA ILE A 67 4.881 -8.284 7.818 1.00 0.00 C ATOM 1101 C ILE A 67 6.265 -8.359 8.464 1.00 0.00 C ATOM 1102 O ILE A 67 7.024 -9.304 8.227 1.00 0.00 O ATOM 1103 CB ILE A 67 4.946 -7.452 6.523 1.00 0.00 C ATOM 1104 CG1 ILE A 67 3.543 -7.298 5.931 1.00 0.00 C ATOM 1105 CG2 ILE A 67 5.874 -8.116 5.513 1.00 0.00 C ATOM 1106 CD1 ILE A 67 3.480 -6.353 4.750 1.00 0.00 C ATOM 0 H ILE A 67 3.633 -6.774 8.566 1.00 0.00 H new ATOM 0 HA ILE A 67 4.553 -9.290 7.554 1.00 0.00 H new ATOM 0 HB ILE A 67 5.341 -6.464 6.759 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.180 -8.278 5.621 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.868 -6.939 6.708 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.910 -7.517 4.603 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.876 -8.194 5.936 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.501 -9.113 5.277 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.455 -6.295 4.385 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.812 -5.362 5.059 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.128 -6.721 3.955 1.00 0.00 H new ATOM 1118 N GLU A 68 6.587 -7.376 9.299 1.00 0.00 N ATOM 1119 CA GLU A 68 7.821 -7.415 10.081 1.00 0.00 C ATOM 1120 C GLU A 68 7.775 -8.603 11.036 1.00 0.00 C ATOM 1121 O GLU A 68 8.764 -9.309 11.229 1.00 0.00 O ATOM 1122 CB GLU A 68 8.009 -6.120 10.876 1.00 0.00 C ATOM 1123 CG GLU A 68 7.983 -4.865 10.023 1.00 0.00 C ATOM 1124 CD GLU A 68 8.298 -3.616 10.819 1.00 0.00 C ATOM 1125 OE1 GLU A 68 7.551 -3.302 11.772 1.00 0.00 O ATOM 1126 OE2 GLU A 68 9.294 -2.935 10.497 1.00 0.00 O ATOM 0 H GLU A 68 6.015 -6.546 9.452 1.00 0.00 H new ATOM 0 HA GLU A 68 8.663 -7.520 9.397 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.225 -6.051 11.630 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.959 -6.166 11.408 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.704 -4.966 9.212 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.999 -4.761 9.565 1.00 0.00 H new ATOM 1133 N LYS A 69 6.601 -8.814 11.614 1.00 0.00 N ATOM 1134 CA LYS A 69 6.341 -9.956 12.480 1.00 0.00 C ATOM 1135 C LYS A 69 6.444 -11.261 11.691 1.00 0.00 C ATOM 1136 O LYS A 69 6.771 -12.311 12.244 1.00 0.00 O ATOM 1137 CB LYS A 69 4.948 -9.806 13.103 1.00 0.00 C ATOM 1138 CG LYS A 69 4.482 -10.995 13.927 1.00 0.00 C ATOM 1139 CD LYS A 69 3.092 -10.745 14.488 1.00 0.00 C ATOM 1140 CE LYS A 69 2.495 -11.993 15.114 1.00 0.00 C ATOM 1141 NZ LYS A 69 1.141 -11.734 15.670 1.00 0.00 N ATOM 0 H LYS A 69 5.799 -8.196 11.495 1.00 0.00 H new ATOM 0 HA LYS A 69 7.087 -9.988 13.274 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.944 -8.919 13.737 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.226 -9.631 12.305 1.00 0.00 H new ATOM 0 HG2 LYS A 69 4.474 -11.892 13.308 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.182 -11.176 14.743 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.140 -9.953 15.235 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.438 -10.392 13.691 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.436 -12.783 14.366 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.151 -12.353 15.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.765 -12.608 16.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.201 -10.997 16.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.508 -11.415 14.909 1.00 0.00 H new ATOM 1155 N LEU A 70 6.181 -11.180 10.389 1.00 0.00 N ATOM 1156 CA LEU A 70 6.284 -12.335 9.508 1.00 0.00 C ATOM 1157 C LEU A 70 7.747 -12.740 9.358 1.00 0.00 C ATOM 1158 O LEU A 70 8.068 -13.918 9.176 1.00 0.00 O ATOM 1159 CB LEU A 70 5.682 -12.011 8.138 1.00 0.00 C ATOM 1160 CG LEU A 70 5.558 -13.191 7.174 1.00 0.00 C ATOM 1161 CD1 LEU A 70 4.466 -14.141 7.636 1.00 0.00 C ATOM 1162 CD2 LEU A 70 5.278 -12.700 5.763 1.00 0.00 C ATOM 0 H LEU A 70 5.894 -10.320 9.921 1.00 0.00 H new ATOM 0 HA LEU A 70 5.728 -13.165 9.944 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.691 -11.583 8.289 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.293 -11.242 7.666 1.00 0.00 H new ATOM 0 HG LEU A 70 6.504 -13.732 7.167 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.391 -14.975 6.939 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.709 -14.519 8.629 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.514 -13.611 7.672 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.193 -13.554 5.091 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.346 -12.136 5.752 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.094 -12.058 5.432 1.00 0.00 H new ATOM 1174 N GLY A 71 8.630 -11.754 9.456 1.00 0.00 N ATOM 1175 CA GLY A 71 10.052 -12.017 9.379 1.00 0.00 C ATOM 1176 C GLY A 71 10.704 -11.364 8.178 1.00 0.00 C ATOM 1177 O GLY A 71 11.886 -11.578 7.916 1.00 0.00 O ATOM 0 H GLY A 71 8.384 -10.773 9.588 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.533 -11.658 10.289 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.216 -13.094 9.336 1.00 0.00 H new ATOM 1181 N TYR A 72 9.939 -10.567 7.443 1.00 0.00 N ATOM 1182 CA TYR A 72 10.456 -9.921 6.246 1.00 0.00 C ATOM 1183 C TYR A 72 10.358 -8.406 6.357 1.00 0.00 C ATOM 1184 O TYR A 72 9.308 -7.815 6.097 1.00 0.00 O ATOM 1185 CB TYR A 72 9.716 -10.424 5.004 1.00 0.00 C ATOM 1186 CG TYR A 72 9.935 -11.895 4.735 1.00 0.00 C ATOM 1187 CD1 TYR A 72 11.108 -12.342 4.138 1.00 0.00 C ATOM 1188 CD2 TYR A 72 8.980 -12.838 5.088 1.00 0.00 C ATOM 1189 CE1 TYR A 72 11.319 -13.686 3.899 1.00 0.00 C ATOM 1190 CE2 TYR A 72 9.186 -14.184 4.856 1.00 0.00 C ATOM 1191 CZ TYR A 72 10.357 -14.601 4.260 1.00 0.00 C ATOM 1192 OH TYR A 72 10.570 -15.942 4.033 1.00 0.00 O ATOM 0 H TYR A 72 8.964 -10.354 7.654 1.00 0.00 H new ATOM 0 HA TYR A 72 11.510 -10.181 6.148 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.649 -10.238 5.125 1.00 0.00 H new ATOM 0 HB3 TYR A 72 10.043 -9.850 4.137 1.00 0.00 H new ATOM 0 HD1 TYR A 72 11.867 -11.627 3.856 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.060 -12.514 5.552 1.00 0.00 H new ATOM 0 HE1 TYR A 72 12.234 -14.017 3.431 1.00 0.00 H new ATOM 0 HE2 TYR A 72 8.434 -14.905 5.140 1.00 0.00 H new ATOM 0 HH TYR A 72 9.795 -16.454 4.346 1.00 0.00 H new ATOM 1202 N LEU A 73 11.465 -7.788 6.747 1.00 0.00 N ATOM 1203 CA LEU A 73 11.513 -6.350 6.958 1.00 0.00 C ATOM 1204 C LEU A 73 11.432 -5.595 5.640 1.00 0.00 C ATOM 1205 O LEU A 73 10.682 -4.628 5.523 1.00 0.00 O ATOM 1206 CB LEU A 73 12.790 -5.959 7.706 1.00 0.00 C ATOM 1207 CG LEU A 73 12.887 -6.487 9.138 1.00 0.00 C ATOM 1208 CD1 LEU A 73 14.210 -6.076 9.769 1.00 0.00 C ATOM 1209 CD2 LEU A 73 11.715 -5.983 9.970 1.00 0.00 C ATOM 0 H LEU A 73 12.348 -8.266 6.925 1.00 0.00 H new ATOM 0 HA LEU A 73 10.648 -6.076 7.562 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.649 -6.322 7.142 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.861 -4.872 7.730 1.00 0.00 H new ATOM 0 HG LEU A 73 12.845 -7.576 9.110 1.00 0.00 H new ATOM 0 HD11 LEU A 73 14.262 -6.460 10.788 1.00 0.00 H new ATOM 0 HD12 LEU A 73 15.034 -6.485 9.185 1.00 0.00 H new ATOM 0 HD13 LEU A 73 14.282 -4.989 9.787 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.798 -6.367 10.987 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.726 -4.893 9.992 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.780 -6.327 9.528 1.00 0.00 H new ATOM 1221 N GLU A 74 12.200 -6.039 4.645 1.00 0.00 N ATOM 1222 CA GLU A 74 12.198 -5.384 3.341 1.00 0.00 C ATOM 1223 C GLU A 74 10.810 -5.397 2.730 1.00 0.00 C ATOM 1224 O GLU A 74 10.348 -4.385 2.214 1.00 0.00 O ATOM 1225 CB GLU A 74 13.179 -6.036 2.374 1.00 0.00 C ATOM 1226 CG GLU A 74 14.636 -5.795 2.712 1.00 0.00 C ATOM 1227 CD GLU A 74 15.538 -6.054 1.524 1.00 0.00 C ATOM 1228 OE1 GLU A 74 15.448 -7.149 0.931 1.00 0.00 O ATOM 1229 OE2 GLU A 74 16.327 -5.156 1.164 1.00 0.00 O ATOM 0 H GLU A 74 12.825 -6.842 4.717 1.00 0.00 H new ATOM 0 HA GLU A 74 12.512 -4.354 3.508 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.995 -7.110 2.356 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.984 -5.662 1.369 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.766 -4.767 3.050 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.929 -6.442 3.539 1.00 0.00 H new ATOM 1236 N ILE A 75 10.150 -6.545 2.797 1.00 0.00 N ATOM 1237 CA ILE A 75 8.804 -6.678 2.260 1.00 0.00 C ATOM 1238 C ILE A 75 7.870 -5.672 2.926 1.00 0.00 C ATOM 1239 O ILE A 75 7.130 -4.964 2.246 1.00 0.00 O ATOM 1240 CB ILE A 75 8.257 -8.111 2.444 1.00 0.00 C ATOM 1241 CG1 ILE A 75 9.166 -9.126 1.739 1.00 0.00 C ATOM 1242 CG2 ILE A 75 6.832 -8.219 1.918 1.00 0.00 C ATOM 1243 CD1 ILE A 75 9.314 -8.888 0.249 1.00 0.00 C ATOM 0 H ILE A 75 10.524 -7.396 3.217 1.00 0.00 H new ATOM 0 HA ILE A 75 8.852 -6.473 1.190 1.00 0.00 H new ATOM 0 HB ILE A 75 8.244 -8.336 3.510 1.00 0.00 H new ATOM 0 HG12 ILE A 75 10.153 -9.098 2.201 1.00 0.00 H new ATOM 0 HG13 ILE A 75 8.768 -10.128 1.899 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.468 -9.237 2.058 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.190 -7.526 2.462 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.816 -7.971 0.857 1.00 0.00 H new ATOM 0 HD11 ILE A 75 9.971 -9.646 -0.177 1.00 0.00 H new ATOM 0 HD12 ILE A 75 8.336 -8.946 -0.228 1.00 0.00 H new ATOM 0 HD13 ILE A 75 9.742 -7.900 0.079 1.00 0.00 H new ATOM 1255 N ALA A 76 7.943 -5.588 4.250 1.00 0.00 N ATOM 1256 CA ALA A 76 7.127 -4.646 5.009 1.00 0.00 C ATOM 1257 C ALA A 76 7.412 -3.207 4.587 1.00 0.00 C ATOM 1258 O ALA A 76 6.492 -2.450 4.273 1.00 0.00 O ATOM 1259 CB ALA A 76 7.381 -4.817 6.497 1.00 0.00 C ATOM 0 H ALA A 76 8.561 -6.163 4.822 1.00 0.00 H new ATOM 0 HA ALA A 76 6.079 -4.858 4.799 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.767 -4.109 7.055 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.125 -5.834 6.795 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.434 -4.631 6.710 1.00 0.00 H new ATOM 1265 N MET A 77 8.690 -2.841 4.569 1.00 0.00 N ATOM 1266 CA MET A 77 9.097 -1.486 4.198 1.00 0.00 C ATOM 1267 C MET A 77 8.719 -1.173 2.752 1.00 0.00 C ATOM 1268 O MET A 77 8.340 -0.047 2.435 1.00 0.00 O ATOM 1269 CB MET A 77 10.602 -1.295 4.397 1.00 0.00 C ATOM 1270 CG MET A 77 11.047 -1.424 5.846 1.00 0.00 C ATOM 1271 SD MET A 77 12.816 -1.143 6.062 1.00 0.00 S ATOM 1272 CE MET A 77 13.493 -2.466 5.061 1.00 0.00 C ATOM 0 H MET A 77 9.463 -3.462 4.807 1.00 0.00 H new ATOM 0 HA MET A 77 8.566 -0.794 4.851 1.00 0.00 H new ATOM 0 HB2 MET A 77 11.136 -2.031 3.795 1.00 0.00 H new ATOM 0 HB3 MET A 77 10.887 -0.311 4.025 1.00 0.00 H new ATOM 0 HG2 MET A 77 10.493 -0.710 6.456 1.00 0.00 H new ATOM 0 HG3 MET A 77 10.795 -2.419 6.212 1.00 0.00 H new ATOM 0 HE1 MET A 77 14.575 -2.504 5.191 1.00 0.00 H new ATOM 0 HE2 MET A 77 13.057 -3.416 5.370 1.00 0.00 H new ATOM 0 HE3 MET A 77 13.260 -2.284 4.012 1.00 0.00 H new ATOM 1282 N ARG A 78 8.821 -2.171 1.880 1.00 0.00 N ATOM 1283 CA ARG A 78 8.450 -2.002 0.479 1.00 0.00 C ATOM 1284 C ARG A 78 6.945 -1.816 0.333 1.00 0.00 C ATOM 1285 O ARG A 78 6.495 -0.946 -0.410 1.00 0.00 O ATOM 1286 CB ARG A 78 8.915 -3.193 -0.362 1.00 0.00 C ATOM 1287 CG ARG A 78 10.397 -3.160 -0.695 1.00 0.00 C ATOM 1288 CD ARG A 78 10.806 -4.371 -1.519 1.00 0.00 C ATOM 1289 NE ARG A 78 12.157 -4.235 -2.063 1.00 0.00 N ATOM 1290 CZ ARG A 78 12.788 -5.193 -2.743 1.00 0.00 C ATOM 1291 NH1 ARG A 78 12.231 -6.390 -2.880 1.00 0.00 N ATOM 1292 NH2 ARG A 78 13.982 -4.960 -3.274 1.00 0.00 N ATOM 0 H ARG A 78 9.157 -3.104 2.118 1.00 0.00 H new ATOM 0 HA ARG A 78 8.949 -1.105 0.113 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.692 -4.115 0.175 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.343 -3.218 -1.290 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.628 -2.248 -1.246 1.00 0.00 H new ATOM 0 HG3 ARG A 78 10.978 -3.132 0.227 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.754 -5.266 -0.899 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.098 -4.508 -2.337 1.00 0.00 H new ATOM 0 HE ARG A 78 12.647 -3.353 -1.913 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.319 -6.578 -2.465 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.715 -7.121 -3.401 1.00 0.00 H new ATOM 0 HH21 ARG A 78 14.420 -4.046 -3.163 1.00 0.00 H new ATOM 0 HH22 ARG A 78 14.461 -5.695 -3.793 1.00 0.00 H new ATOM 1306 N VAL A 79 6.173 -2.631 1.043 1.00 0.00 N ATOM 1307 CA VAL A 79 4.719 -2.504 1.033 1.00 0.00 C ATOM 1308 C VAL A 79 4.309 -1.139 1.577 1.00 0.00 C ATOM 1309 O VAL A 79 3.436 -0.471 1.021 1.00 0.00 O ATOM 1310 CB VAL A 79 4.042 -3.630 1.852 1.00 0.00 C ATOM 1311 CG1 VAL A 79 2.550 -3.386 1.992 1.00 0.00 C ATOM 1312 CG2 VAL A 79 4.289 -4.980 1.201 1.00 0.00 C ATOM 0 H VAL A 79 6.528 -3.385 1.631 1.00 0.00 H new ATOM 0 HA VAL A 79 4.383 -2.597 0.000 1.00 0.00 H new ATOM 0 HB VAL A 79 4.483 -3.629 2.849 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.102 -4.193 2.572 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.383 -2.437 2.502 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.092 -3.352 1.003 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.807 -5.761 1.789 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.877 -4.978 0.192 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.361 -5.171 1.154 1.00 0.00 H new ATOM 1322 N LYS A 80 4.970 -0.721 2.650 1.00 0.00 N ATOM 1323 CA LYS A 80 4.756 0.601 3.221 1.00 0.00 C ATOM 1324 C LYS A 80 5.172 1.692 2.236 1.00 0.00 C ATOM 1325 O LYS A 80 4.571 2.765 2.195 1.00 0.00 O ATOM 1326 CB LYS A 80 5.523 0.731 4.545 1.00 0.00 C ATOM 1327 CG LYS A 80 5.671 2.159 5.047 1.00 0.00 C ATOM 1328 CD LYS A 80 6.137 2.194 6.492 1.00 0.00 C ATOM 1329 CE LYS A 80 6.908 3.464 6.803 1.00 0.00 C ATOM 1330 NZ LYS A 80 8.240 3.480 6.143 1.00 0.00 N ATOM 0 H LYS A 80 5.663 -1.284 3.144 1.00 0.00 H new ATOM 0 HA LYS A 80 3.692 0.727 3.423 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.012 0.142 5.307 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.515 0.298 4.420 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.384 2.694 4.420 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.717 2.678 4.958 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.274 2.121 7.154 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.767 1.327 6.692 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.330 4.329 6.476 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.036 3.556 7.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.858 4.163 6.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.664 2.532 6.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.130 3.757 5.147 1.00 0.00 H new ATOM 1344 N GLN A 81 6.188 1.408 1.428 1.00 0.00 N ATOM 1345 CA GLN A 81 6.653 2.361 0.429 1.00 0.00 C ATOM 1346 C GLN A 81 5.597 2.539 -0.658 1.00 0.00 C ATOM 1347 O GLN A 81 5.283 3.667 -1.048 1.00 0.00 O ATOM 1348 CB GLN A 81 7.981 1.904 -0.180 1.00 0.00 C ATOM 1349 CG GLN A 81 8.719 3.010 -0.919 1.00 0.00 C ATOM 1350 CD GLN A 81 9.046 4.187 -0.019 1.00 0.00 C ATOM 1351 OE1 GLN A 81 9.237 4.027 1.191 1.00 0.00 O ATOM 1352 NE2 GLN A 81 9.114 5.374 -0.598 1.00 0.00 N ATOM 0 H GLN A 81 6.703 0.528 1.446 1.00 0.00 H new ATOM 0 HA GLN A 81 6.818 3.322 0.917 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.621 1.517 0.612 1.00 0.00 H new ATOM 0 HB3 GLN A 81 7.792 1.080 -0.869 1.00 0.00 H new ATOM 0 HG2 GLN A 81 9.642 2.610 -1.339 1.00 0.00 H new ATOM 0 HG3 GLN A 81 8.110 3.354 -1.756 1.00 0.00 H new ATOM 0 HE21 GLN A 81 8.949 5.462 -1.601 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.331 6.201 -0.042 1.00 0.00 H new ATOM 1361 N TYR A 82 5.041 1.421 -1.137 1.00 0.00 N ATOM 1362 CA TYR A 82 3.919 1.470 -2.068 1.00 0.00 C ATOM 1363 C TYR A 82 2.780 2.260 -1.439 1.00 0.00 C ATOM 1364 O TYR A 82 2.212 3.160 -2.057 1.00 0.00 O ATOM 1365 CB TYR A 82 3.406 0.065 -2.417 1.00 0.00 C ATOM 1366 CG TYR A 82 4.462 -0.912 -2.889 1.00 0.00 C ATOM 1367 CD1 TYR A 82 5.420 -0.552 -3.829 1.00 0.00 C ATOM 1368 CD2 TYR A 82 4.483 -2.208 -2.397 1.00 0.00 C ATOM 1369 CE1 TYR A 82 6.370 -1.461 -4.262 1.00 0.00 C ATOM 1370 CE2 TYR A 82 5.427 -3.120 -2.820 1.00 0.00 C ATOM 1371 CZ TYR A 82 6.368 -2.744 -3.752 1.00 0.00 C ATOM 1372 OH TYR A 82 7.308 -3.657 -4.174 1.00 0.00 O ATOM 0 H TYR A 82 5.350 0.480 -0.895 1.00 0.00 H new ATOM 0 HA TYR A 82 4.267 1.947 -2.984 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.915 -0.353 -1.538 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.646 0.156 -3.193 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.423 0.452 -4.228 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.745 -2.509 -1.668 1.00 0.00 H new ATOM 0 HE1 TYR A 82 7.108 -1.168 -4.994 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.428 -4.124 -2.422 1.00 0.00 H new ATOM 0 HH TYR A 82 7.838 -3.959 -3.407 1.00 0.00 H new ATOM 1382 N ALA A 83 2.477 1.920 -0.189 1.00 0.00 N ATOM 1383 CA ALA A 83 1.413 2.573 0.561 1.00 0.00 C ATOM 1384 C ALA A 83 1.642 4.074 0.659 1.00 0.00 C ATOM 1385 O ALA A 83 0.704 4.850 0.544 1.00 0.00 O ATOM 1386 CB ALA A 83 1.297 1.966 1.950 1.00 0.00 C ATOM 0 H ALA A 83 2.961 1.187 0.329 1.00 0.00 H new ATOM 0 HA ALA A 83 0.479 2.412 0.023 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.498 2.464 2.499 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.071 0.903 1.865 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.239 2.095 2.483 1.00 0.00 H new ATOM 1392 N THR A 84 2.892 4.474 0.858 1.00 0.00 N ATOM 1393 CA THR A 84 3.237 5.885 0.961 1.00 0.00 C ATOM 1394 C THR A 84 2.840 6.632 -0.314 1.00 0.00 C ATOM 1395 O THR A 84 2.280 7.730 -0.256 1.00 0.00 O ATOM 1396 CB THR A 84 4.746 6.076 1.227 1.00 0.00 C ATOM 1397 OG1 THR A 84 5.132 5.361 2.409 1.00 0.00 O ATOM 1398 CG2 THR A 84 5.090 7.549 1.397 1.00 0.00 C ATOM 0 H THR A 84 3.685 3.839 0.951 1.00 0.00 H new ATOM 0 HA THR A 84 2.683 6.297 1.804 1.00 0.00 H new ATOM 0 HB THR A 84 5.290 5.686 0.366 1.00 0.00 H new ATOM 0 HG1 THR A 84 5.155 4.400 2.217 1.00 0.00 H new ATOM 0 HG21 THR A 84 6.159 7.654 1.583 1.00 0.00 H new ATOM 0 HG22 THR A 84 4.825 8.092 0.490 1.00 0.00 H new ATOM 0 HG23 THR A 84 4.533 7.958 2.240 1.00 0.00 H new ATOM 1406 N ALA A 85 3.104 6.017 -1.462 1.00 0.00 N ATOM 1407 CA ALA A 85 2.730 6.601 -2.743 1.00 0.00 C ATOM 1408 C ALA A 85 1.213 6.639 -2.892 1.00 0.00 C ATOM 1409 O ALA A 85 0.651 7.599 -3.420 1.00 0.00 O ATOM 1410 CB ALA A 85 3.361 5.819 -3.886 1.00 0.00 C ATOM 0 H ALA A 85 3.575 5.115 -1.531 1.00 0.00 H new ATOM 0 HA ALA A 85 3.102 7.625 -2.778 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.072 6.267 -4.837 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.446 5.843 -3.788 1.00 0.00 H new ATOM 0 HB3 ALA A 85 3.017 4.785 -3.853 1.00 0.00 H new ATOM 1416 N ILE A 86 0.556 5.590 -2.407 1.00 0.00 N ATOM 1417 CA ILE A 86 -0.900 5.508 -2.439 1.00 0.00 C ATOM 1418 C ILE A 86 -1.516 6.548 -1.505 1.00 0.00 C ATOM 1419 O ILE A 86 -2.556 7.124 -1.805 1.00 0.00 O ATOM 1420 CB ILE A 86 -1.394 4.094 -2.045 1.00 0.00 C ATOM 1421 CG1 ILE A 86 -0.790 3.048 -2.985 1.00 0.00 C ATOM 1422 CG2 ILE A 86 -2.918 4.025 -2.079 1.00 0.00 C ATOM 1423 CD1 ILE A 86 -1.144 1.619 -2.627 1.00 0.00 C ATOM 0 H ILE A 86 1.012 4.781 -1.985 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.218 5.711 -3.462 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.068 3.883 -1.026 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.127 3.251 -4.002 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.295 3.154 -2.981 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.243 3.023 -1.799 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.331 4.750 -1.377 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.270 4.253 -3.085 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.678 0.939 -3.340 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.783 1.395 -1.623 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.226 1.493 -2.660 1.00 0.00 H new ATOM 1435 N MET A 87 -0.859 6.794 -0.376 1.00 0.00 N ATOM 1436 CA MET A 87 -1.327 7.788 0.585 1.00 0.00 C ATOM 1437 C MET A 87 -1.280 9.186 -0.013 1.00 0.00 C ATOM 1438 O MET A 87 -2.227 9.957 0.127 1.00 0.00 O ATOM 1439 CB MET A 87 -0.497 7.753 1.870 1.00 0.00 C ATOM 1440 CG MET A 87 -0.645 6.467 2.664 1.00 0.00 C ATOM 1441 SD MET A 87 0.353 6.459 4.167 1.00 0.00 S ATOM 1442 CE MET A 87 0.136 4.761 4.698 1.00 0.00 C ATOM 0 H MET A 87 0.001 6.318 -0.103 1.00 0.00 H new ATOM 0 HA MET A 87 -2.360 7.539 0.830 1.00 0.00 H new ATOM 0 HB2 MET A 87 0.554 7.893 1.616 1.00 0.00 H new ATOM 0 HB3 MET A 87 -0.787 8.593 2.501 1.00 0.00 H new ATOM 0 HG2 MET A 87 -1.693 6.326 2.928 1.00 0.00 H new ATOM 0 HG3 MET A 87 -0.358 5.623 2.037 1.00 0.00 H new ATOM 0 HE1 MET A 87 0.443 4.663 5.739 1.00 0.00 H new ATOM 0 HE2 MET A 87 -0.913 4.481 4.601 1.00 0.00 H new ATOM 0 HE3 MET A 87 0.746 4.105 4.077 1.00 0.00 H new ATOM 1452 N ARG A 88 -0.182 9.512 -0.685 1.00 0.00 N ATOM 1453 CA ARG A 88 -0.053 10.809 -1.339 1.00 0.00 C ATOM 1454 C ARG A 88 -1.114 10.939 -2.429 1.00 0.00 C ATOM 1455 O ARG A 88 -1.696 12.007 -2.635 1.00 0.00 O ATOM 1456 CB ARG A 88 1.345 10.975 -1.939 1.00 0.00 C ATOM 1457 CG ARG A 88 1.705 12.421 -2.249 1.00 0.00 C ATOM 1458 CD ARG A 88 3.066 12.537 -2.918 1.00 0.00 C ATOM 1459 NE ARG A 88 3.554 13.917 -2.924 1.00 0.00 N ATOM 1460 CZ ARG A 88 3.678 14.666 -4.023 1.00 0.00 C ATOM 1461 NH1 ARG A 88 3.349 14.174 -5.211 1.00 0.00 N ATOM 1462 NH2 ARG A 88 4.136 15.910 -3.932 1.00 0.00 N ATOM 0 H ARG A 88 0.627 8.900 -0.791 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.200 11.594 -0.597 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.080 10.567 -1.246 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.411 10.388 -2.855 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.944 12.853 -2.898 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.704 13.001 -1.326 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.782 11.901 -2.398 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.000 12.171 -3.942 1.00 0.00 H new ATOM 0 HE ARG A 88 3.816 14.334 -2.031 1.00 0.00 H new ATOM 0 HH11 ARG A 88 2.999 13.219 -5.288 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.446 14.751 -6.047 1.00 0.00 H new ATOM 0 HH21 ARG A 88 4.393 16.294 -3.023 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.230 16.481 -4.772 1.00 0.00 H new ATOM 1476 N TYR A 89 -1.363 9.827 -3.110 1.00 0.00 N ATOM 1477 CA TYR A 89 -2.413 9.742 -4.115 1.00 0.00 C ATOM 1478 C TYR A 89 -3.778 9.958 -3.464 1.00 0.00 C ATOM 1479 O TYR A 89 -4.642 10.631 -4.019 1.00 0.00 O ATOM 1480 CB TYR A 89 -2.348 8.369 -4.799 1.00 0.00 C ATOM 1481 CG TYR A 89 -3.344 8.156 -5.918 1.00 0.00 C ATOM 1482 CD1 TYR A 89 -3.160 8.747 -7.161 1.00 0.00 C ATOM 1483 CD2 TYR A 89 -4.456 7.341 -5.738 1.00 0.00 C ATOM 1484 CE1 TYR A 89 -4.052 8.532 -8.193 1.00 0.00 C ATOM 1485 CE2 TYR A 89 -5.356 7.123 -6.765 1.00 0.00 C ATOM 1486 CZ TYR A 89 -5.151 7.721 -7.990 1.00 0.00 C ATOM 1487 OH TYR A 89 -6.041 7.503 -9.019 1.00 0.00 O ATOM 0 H TYR A 89 -0.842 8.960 -2.980 1.00 0.00 H new ATOM 0 HA TYR A 89 -2.268 10.519 -4.866 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -1.343 8.227 -5.197 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -2.504 7.598 -4.045 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.304 9.386 -7.323 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -4.620 6.870 -4.780 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.891 8.996 -9.155 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.215 6.488 -6.608 1.00 0.00 H new ATOM 0 HH TYR A 89 -5.547 7.334 -9.848 1.00 0.00 H new ATOM 1497 N ALA A 90 -3.943 9.397 -2.270 1.00 0.00 N ATOM 1498 CA ALA A 90 -5.182 9.511 -1.512 1.00 0.00 C ATOM 1499 C ALA A 90 -5.453 10.952 -1.089 1.00 0.00 C ATOM 1500 O ALA A 90 -6.602 11.395 -1.080 1.00 0.00 O ATOM 1501 CB ALA A 90 -5.133 8.605 -0.290 1.00 0.00 C ATOM 0 H ALA A 90 -3.220 8.850 -1.801 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.999 9.197 -2.161 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.064 8.698 0.269 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.003 7.571 -0.609 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.297 8.897 0.346 1.00 0.00 H new ATOM 1507 N VAL A 91 -4.399 11.678 -0.730 1.00 0.00 N ATOM 1508 CA VAL A 91 -4.535 13.087 -0.370 1.00 0.00 C ATOM 1509 C VAL A 91 -5.028 13.887 -1.577 1.00 0.00 C ATOM 1510 O VAL A 91 -5.874 14.772 -1.451 1.00 0.00 O ATOM 1511 CB VAL A 91 -3.203 13.691 0.142 1.00 0.00 C ATOM 1512 CG1 VAL A 91 -3.401 15.124 0.613 1.00 0.00 C ATOM 1513 CG2 VAL A 91 -2.621 12.847 1.265 1.00 0.00 C ATOM 0 H VAL A 91 -3.446 11.318 -0.680 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.260 13.147 0.441 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.499 13.694 -0.690 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.451 15.525 0.967 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.765 15.732 -0.215 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.128 15.143 1.425 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.686 13.291 1.607 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.328 12.806 2.093 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.430 11.838 0.900 1.00 0.00 H new ATOM 1523 N GLN A 92 -4.511 13.544 -2.753 1.00 0.00 N ATOM 1524 CA GLN A 92 -4.938 14.182 -3.995 1.00 0.00 C ATOM 1525 C GLN A 92 -6.349 13.730 -4.365 1.00 0.00 C ATOM 1526 O GLN A 92 -7.100 14.460 -5.011 1.00 0.00 O ATOM 1527 CB GLN A 92 -3.977 13.838 -5.134 1.00 0.00 C ATOM 1528 CG GLN A 92 -2.534 14.241 -4.873 1.00 0.00 C ATOM 1529 CD GLN A 92 -1.612 13.882 -6.025 1.00 0.00 C ATOM 1530 OE1 GLN A 92 -0.608 14.552 -6.264 1.00 0.00 O ATOM 1531 NE2 GLN A 92 -1.948 12.826 -6.750 1.00 0.00 N ATOM 0 H GLN A 92 -3.795 12.827 -2.873 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.934 15.261 -3.841 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -4.016 12.764 -5.316 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -4.321 14.328 -6.045 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -2.487 15.315 -4.695 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -2.182 13.752 -3.965 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -2.789 12.296 -6.520 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.366 12.543 -7.538 1.00 0.00 H new ATOM 1540 N GLN A 93 -6.693 12.520 -3.944 1.00 0.00 N ATOM 1541 CA GLN A 93 -7.994 11.925 -4.234 1.00 0.00 C ATOM 1542 C GLN A 93 -9.079 12.446 -3.297 1.00 0.00 C ATOM 1543 O GLN A 93 -10.212 11.962 -3.343 1.00 0.00 O ATOM 1544 CB GLN A 93 -7.912 10.404 -4.111 1.00 0.00 C ATOM 1545 CG GLN A 93 -7.606 9.679 -5.411 1.00 0.00 C ATOM 1546 CD GLN A 93 -8.802 9.634 -6.343 1.00 0.00 C ATOM 1547 OE1 GLN A 93 -9.952 9.653 -5.902 1.00 0.00 O ATOM 1548 NE2 GLN A 93 -8.542 9.548 -7.636 1.00 0.00 N ATOM 0 H GLN A 93 -6.079 11.922 -3.391 1.00 0.00 H new ATOM 0 HA GLN A 93 -8.260 12.206 -5.253 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -7.143 10.153 -3.381 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -8.858 10.033 -3.718 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -6.776 10.175 -5.914 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -7.283 8.662 -5.189 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -7.576 9.535 -7.962 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.308 9.495 -8.308 1.00 0.00 H new ATOM 1557 N LYS A 94 -8.729 13.410 -2.438 1.00 0.00 N ATOM 1558 CA LYS A 94 -9.691 14.016 -1.512 1.00 0.00 C ATOM 1559 C LYS A 94 -10.130 12.989 -0.458 1.00 0.00 C ATOM 1560 O LYS A 94 -11.197 13.098 0.147 1.00 0.00 O ATOM 1561 CB LYS A 94 -10.896 14.549 -2.307 1.00 0.00 C ATOM 1562 CG LYS A 94 -11.875 15.395 -1.511 1.00 0.00 C ATOM 1563 CD LYS A 94 -13.068 15.789 -2.368 1.00 0.00 C ATOM 1564 CE LYS A 94 -14.051 16.659 -1.605 1.00 0.00 C ATOM 1565 NZ LYS A 94 -13.421 17.915 -1.123 1.00 0.00 N ATOM 0 H LYS A 94 -7.784 13.788 -2.365 1.00 0.00 H new ATOM 0 HA LYS A 94 -9.223 14.850 -0.989 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.525 15.142 -3.143 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.435 13.701 -2.731 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -12.216 14.839 -0.638 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -11.374 16.290 -1.143 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -12.719 16.324 -3.251 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -13.575 14.890 -2.719 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -14.897 16.901 -2.248 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -14.446 16.102 -0.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -14.161 18.581 -0.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.796 17.704 -0.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -12.864 18.341 -1.891 1.00 0.00 H new ATOM 1579 N MET A 95 -9.279 11.999 -0.230 1.00 0.00 N ATOM 1580 CA MET A 95 -9.584 10.917 0.696 1.00 0.00 C ATOM 1581 C MET A 95 -9.106 11.244 2.101 1.00 0.00 C ATOM 1582 O MET A 95 -9.906 11.517 2.993 1.00 0.00 O ATOM 1583 CB MET A 95 -8.928 9.622 0.220 1.00 0.00 C ATOM 1584 CG MET A 95 -9.472 9.114 -1.099 1.00 0.00 C ATOM 1585 SD MET A 95 -8.358 7.954 -1.905 1.00 0.00 S ATOM 1586 CE MET A 95 -8.099 6.760 -0.600 1.00 0.00 C ATOM 0 H MET A 95 -8.365 11.923 -0.677 1.00 0.00 H new ATOM 0 HA MET A 95 -10.666 10.792 0.722 1.00 0.00 H new ATOM 0 HB2 MET A 95 -7.854 9.783 0.122 1.00 0.00 H new ATOM 0 HB3 MET A 95 -9.067 8.854 0.981 1.00 0.00 H new ATOM 0 HG2 MET A 95 -10.434 8.630 -0.929 1.00 0.00 H new ATOM 0 HG3 MET A 95 -9.653 9.959 -1.763 1.00 0.00 H new ATOM 0 HE1 MET A 95 -7.386 6.006 -0.933 1.00 0.00 H new ATOM 0 HE2 MET A 95 -7.707 7.265 0.283 1.00 0.00 H new ATOM 0 HE3 MET A 95 -9.046 6.280 -0.353 1.00 0.00 H new ATOM 1596 N ILE A 96 -7.797 11.217 2.291 1.00 0.00 N ATOM 1597 CA ILE A 96 -7.216 11.475 3.595 1.00 0.00 C ATOM 1598 C ILE A 96 -6.755 12.921 3.695 1.00 0.00 C ATOM 1599 O ILE A 96 -6.309 13.511 2.711 1.00 0.00 O ATOM 1600 CB ILE A 96 -6.044 10.517 3.899 1.00 0.00 C ATOM 1601 CG1 ILE A 96 -4.978 10.591 2.801 1.00 0.00 C ATOM 1602 CG2 ILE A 96 -6.561 9.092 4.047 1.00 0.00 C ATOM 1603 CD1 ILE A 96 -3.800 9.669 3.033 1.00 0.00 C ATOM 0 H ILE A 96 -7.117 11.019 1.557 1.00 0.00 H new ATOM 0 HA ILE A 96 -7.991 11.297 4.340 1.00 0.00 H new ATOM 0 HB ILE A 96 -5.581 10.824 4.837 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.438 10.345 1.844 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -4.616 11.617 2.727 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.728 8.423 4.261 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -7.280 9.049 4.865 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.046 8.783 3.121 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -3.087 9.776 2.215 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.315 9.928 3.974 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -4.149 8.637 3.077 1.00 0.00 H new ATOM 1615 N ARG A 97 -6.881 13.488 4.885 1.00 0.00 N ATOM 1616 CA ARG A 97 -6.589 14.901 5.101 1.00 0.00 C ATOM 1617 C ARG A 97 -5.085 15.153 5.124 1.00 0.00 C ATOM 1618 O ARG A 97 -4.618 16.220 4.730 1.00 0.00 O ATOM 1619 CB ARG A 97 -7.229 15.369 6.410 1.00 0.00 C ATOM 1620 CG ARG A 97 -8.698 14.988 6.528 1.00 0.00 C ATOM 1621 CD ARG A 97 -9.294 15.441 7.849 1.00 0.00 C ATOM 1622 NE ARG A 97 -10.601 14.834 8.088 1.00 0.00 N ATOM 1623 CZ ARG A 97 -11.553 15.368 8.851 1.00 0.00 C ATOM 1624 NH1 ARG A 97 -11.391 16.572 9.390 1.00 0.00 N ATOM 1625 NH2 ARG A 97 -12.682 14.701 9.046 1.00 0.00 N ATOM 0 H ARG A 97 -7.185 12.990 5.722 1.00 0.00 H new ATOM 0 HA ARG A 97 -7.011 15.471 4.273 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -6.681 14.940 7.249 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -7.134 16.452 6.487 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -9.256 15.434 5.705 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -8.802 13.907 6.434 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -8.617 15.180 8.662 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -9.391 16.527 7.851 1.00 0.00 H new ATOM 0 HE ARG A 97 -10.798 13.939 7.640 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -10.532 17.095 9.221 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -12.126 16.973 9.973 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -12.816 13.787 8.613 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -13.417 15.102 9.629 1.00 0.00 H new ATOM 1639 N PHE A 98 -4.334 14.162 5.587 1.00 0.00 N ATOM 1640 CA PHE A 98 -2.881 14.250 5.644 1.00 0.00 C ATOM 1641 C PHE A 98 -2.266 12.897 5.323 1.00 0.00 C ATOM 1642 O PHE A 98 -2.979 11.903 5.200 1.00 0.00 O ATOM 1643 CB PHE A 98 -2.406 14.713 7.026 1.00 0.00 C ATOM 1644 CG PHE A 98 -2.803 16.119 7.378 1.00 0.00 C ATOM 1645 CD1 PHE A 98 -2.161 17.199 6.794 1.00 0.00 C ATOM 1646 CD2 PHE A 98 -3.809 16.359 8.300 1.00 0.00 C ATOM 1647 CE1 PHE A 98 -2.517 18.493 7.120 1.00 0.00 C ATOM 1648 CE2 PHE A 98 -4.170 17.651 8.630 1.00 0.00 C ATOM 1649 CZ PHE A 98 -3.524 18.720 8.039 1.00 0.00 C ATOM 0 H PHE A 98 -4.712 13.280 5.932 1.00 0.00 H new ATOM 0 HA PHE A 98 -2.560 14.985 4.906 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -2.806 14.035 7.780 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -1.320 14.633 7.069 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -1.373 17.027 6.076 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -4.316 15.527 8.766 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -2.009 19.326 6.657 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -4.956 17.825 9.349 1.00 0.00 H new ATOM 0 HZ PHE A 98 -3.805 19.731 8.295 1.00 0.00 H new ATOM 1659 N ASN A 99 -0.946 12.863 5.200 1.00 0.00 N ATOM 1660 CA ASN A 99 -0.232 11.630 4.897 1.00 0.00 C ATOM 1661 C ASN A 99 0.282 11.001 6.193 1.00 0.00 C ATOM 1662 O ASN A 99 1.253 11.479 6.777 1.00 0.00 O ATOM 1663 CB ASN A 99 0.934 11.922 3.937 1.00 0.00 C ATOM 1664 CG ASN A 99 1.509 10.681 3.259 1.00 0.00 C ATOM 1665 OD1 ASN A 99 2.014 10.757 2.142 1.00 0.00 O ATOM 1666 ND2 ASN A 99 1.446 9.536 3.921 1.00 0.00 N ATOM 0 H ASN A 99 -0.345 13.680 5.306 1.00 0.00 H new ATOM 0 HA ASN A 99 -0.910 10.928 4.412 1.00 0.00 H new ATOM 0 HB2 ASN A 99 0.593 12.617 3.170 1.00 0.00 H new ATOM 0 HB3 ASN A 99 1.729 12.422 4.490 1.00 0.00 H new ATOM 0 HD21 ASN A 99 1.823 8.685 3.505 1.00 0.00 H new ATOM 0 HD22 ASN A 99 1.020 9.505 4.847 1.00 0.00 H new ATOM 1673 N PRO A 100 -0.362 9.911 6.651 1.00 0.00 N ATOM 1674 CA PRO A 100 -0.034 9.259 7.932 1.00 0.00 C ATOM 1675 C PRO A 100 1.407 8.751 7.999 1.00 0.00 C ATOM 1676 O PRO A 100 2.046 8.815 9.045 1.00 0.00 O ATOM 1677 CB PRO A 100 -1.015 8.082 8.000 1.00 0.00 C ATOM 1678 CG PRO A 100 -2.122 8.450 7.075 1.00 0.00 C ATOM 1679 CD PRO A 100 -1.480 9.234 5.970 1.00 0.00 C ATOM 0 HA PRO A 100 -0.119 9.959 8.763 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -0.537 7.152 7.693 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -1.382 7.932 9.015 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.620 7.562 6.687 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.880 9.043 7.587 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -1.130 8.586 5.166 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.174 9.948 5.526 1.00 0.00 H new ATOM 1687 N ALA A 101 1.915 8.250 6.879 1.00 0.00 N ATOM 1688 CA ALA A 101 3.293 7.762 6.812 1.00 0.00 C ATOM 1689 C ALA A 101 4.299 8.887 7.083 1.00 0.00 C ATOM 1690 O ALA A 101 5.459 8.631 7.403 1.00 0.00 O ATOM 1691 CB ALA A 101 3.557 7.124 5.455 1.00 0.00 C ATOM 0 H ALA A 101 1.396 8.170 6.004 1.00 0.00 H new ATOM 0 HA ALA A 101 3.423 7.009 7.589 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.585 6.764 5.416 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.874 6.287 5.307 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.401 7.863 4.669 1.00 0.00 H new ATOM 1697 N TYR A 102 3.843 10.130 6.966 1.00 0.00 N ATOM 1698 CA TYR A 102 4.693 11.286 7.221 1.00 0.00 C ATOM 1699 C TYR A 102 4.343 11.951 8.547 1.00 0.00 C ATOM 1700 O TYR A 102 4.925 12.977 8.902 1.00 0.00 O ATOM 1701 CB TYR A 102 4.574 12.308 6.087 1.00 0.00 C ATOM 1702 CG TYR A 102 5.491 12.037 4.916 1.00 0.00 C ATOM 1703 CD1 TYR A 102 6.856 12.264 5.023 1.00 0.00 C ATOM 1704 CD2 TYR A 102 4.998 11.572 3.703 1.00 0.00 C ATOM 1705 CE1 TYR A 102 7.705 12.036 3.960 1.00 0.00 C ATOM 1706 CE2 TYR A 102 5.843 11.339 2.633 1.00 0.00 C ATOM 1707 CZ TYR A 102 7.195 11.572 2.769 1.00 0.00 C ATOM 1708 OH TYR A 102 8.042 11.351 1.705 1.00 0.00 O ATOM 0 H TYR A 102 2.887 10.362 6.696 1.00 0.00 H new ATOM 0 HA TYR A 102 5.721 10.928 7.274 1.00 0.00 H new ATOM 0 HB2 TYR A 102 3.543 12.323 5.732 1.00 0.00 H new ATOM 0 HB3 TYR A 102 4.790 13.301 6.482 1.00 0.00 H new ATOM 0 HD1 TYR A 102 7.261 12.626 5.956 1.00 0.00 H new ATOM 0 HD2 TYR A 102 3.939 11.390 3.594 1.00 0.00 H new ATOM 0 HE1 TYR A 102 8.764 12.221 4.062 1.00 0.00 H new ATOM 0 HE2 TYR A 102 5.446 10.977 1.696 1.00 0.00 H new ATOM 0 HH TYR A 102 7.526 11.023 0.939 1.00 0.00 H new ATOM 1718 N ASP A 103 3.413 11.368 9.291 1.00 0.00 N ATOM 1719 CA ASP A 103 2.963 11.959 10.540 1.00 0.00 C ATOM 1720 C ASP A 103 2.129 10.966 11.328 1.00 0.00 C ATOM 1721 O ASP A 103 0.987 10.663 10.980 1.00 0.00 O ATOM 1722 CB ASP A 103 2.156 13.235 10.296 1.00 0.00 C ATOM 1723 CG ASP A 103 1.905 14.006 11.578 1.00 0.00 C ATOM 1724 OD1 ASP A 103 2.403 13.584 12.645 1.00 0.00 O ATOM 1725 OD2 ASP A 103 1.230 15.055 11.517 1.00 0.00 O ATOM 0 H ASP A 103 2.957 10.488 9.050 1.00 0.00 H new ATOM 0 HA ASP A 103 3.850 12.221 11.117 1.00 0.00 H new ATOM 0 HB2 ASP A 103 2.689 13.871 9.590 1.00 0.00 H new ATOM 0 HB3 ASP A 103 1.202 12.978 9.836 1.00 0.00 H new ATOM 1730 N LEU A 104 2.732 10.446 12.376 1.00 0.00 N ATOM 1731 CA LEU A 104 2.061 9.516 13.274 1.00 0.00 C ATOM 1732 C LEU A 104 1.108 10.261 14.204 1.00 0.00 C ATOM 1733 O LEU A 104 0.265 9.644 14.855 1.00 0.00 O ATOM 1734 CB LEU A 104 3.089 8.765 14.123 1.00 0.00 C ATOM 1735 CG LEU A 104 4.305 8.218 13.375 1.00 0.00 C ATOM 1736 CD1 LEU A 104 5.265 7.580 14.358 1.00 0.00 C ATOM 1737 CD2 LEU A 104 3.888 7.216 12.311 1.00 0.00 C ATOM 0 H LEU A 104 3.697 10.652 12.633 1.00 0.00 H new ATOM 0 HA LEU A 104 1.497 8.809 12.665 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.441 9.434 14.908 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.586 7.933 14.616 1.00 0.00 H new ATOM 0 HG LEU A 104 4.805 9.046 12.873 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.130 7.191 13.821 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.592 8.325 15.083 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.764 6.764 14.878 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.773 6.844 11.795 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.364 6.383 12.781 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.227 7.702 11.593 1.00 0.00 H new ATOM 1749 N GLU A 105 1.268 11.587 14.257 1.00 0.00 N ATOM 1750 CA GLU A 105 0.561 12.456 15.203 1.00 0.00 C ATOM 1751 C GLU A 105 0.997 12.177 16.641 1.00 0.00 C ATOM 1752 O GLU A 105 1.547 13.054 17.311 1.00 0.00 O ATOM 1753 CB GLU A 105 -0.964 12.333 15.071 1.00 0.00 C ATOM 1754 CG GLU A 105 -1.718 13.305 15.968 1.00 0.00 C ATOM 1755 CD GLU A 105 -3.223 13.200 15.835 1.00 0.00 C ATOM 1756 OE1 GLU A 105 -3.835 12.406 16.581 1.00 0.00 O ATOM 1757 OE2 GLU A 105 -3.801 13.924 14.999 1.00 0.00 O ATOM 0 H GLU A 105 1.900 12.093 13.637 1.00 0.00 H new ATOM 0 HA GLU A 105 0.832 13.482 14.951 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -1.249 12.509 14.034 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -1.264 11.314 15.316 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -1.438 13.122 17.006 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -1.409 14.323 15.729 1.00 0.00 H new ATOM 1764 N GLY A 106 0.769 10.956 17.107 1.00 0.00 N ATOM 1765 CA GLY A 106 1.105 10.606 18.470 1.00 0.00 C ATOM 1766 C GLY A 106 1.012 9.114 18.721 1.00 0.00 C ATOM 1767 O GLY A 106 0.321 8.675 19.639 1.00 0.00 O ATOM 0 H GLY A 106 0.355 10.200 16.561 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.116 10.947 18.691 1.00 0.00 H new ATOM 0 HA3 GLY A 106 0.436 11.129 19.153 1.00 0.00 H new ATOM 1771 N ALA A 107 1.697 8.333 17.895 1.00 0.00 N ATOM 1772 CA ALA A 107 1.740 6.885 18.070 1.00 0.00 C ATOM 1773 C ALA A 107 2.925 6.503 18.949 1.00 0.00 C ATOM 1774 O ALA A 107 2.762 5.945 20.034 1.00 0.00 O ATOM 1775 CB ALA A 107 1.822 6.188 16.719 1.00 0.00 C ATOM 0 H ALA A 107 2.231 8.677 17.097 1.00 0.00 H new ATOM 0 HA ALA A 107 0.823 6.560 18.562 1.00 0.00 H new ATOM 0 HB1 ALA A 107 1.853 5.109 16.868 1.00 0.00 H new ATOM 0 HB2 ALA A 107 0.947 6.447 16.122 1.00 0.00 H new ATOM 0 HB3 ALA A 107 2.724 6.509 16.198 1.00 0.00 H new ATOM 1781 N VAL A 108 4.120 6.814 18.474 1.00 0.00 N ATOM 1782 CA VAL A 108 5.323 6.629 19.264 1.00 0.00 C ATOM 1783 C VAL A 108 5.892 7.990 19.633 1.00 0.00 C ATOM 1784 O VAL A 108 5.289 9.013 19.309 1.00 0.00 O ATOM 1785 CB VAL A 108 6.396 5.800 18.519 1.00 0.00 C ATOM 1786 CG1 VAL A 108 5.857 4.426 18.156 1.00 0.00 C ATOM 1787 CG2 VAL A 108 6.889 6.530 17.278 1.00 0.00 C ATOM 0 H VAL A 108 4.281 7.197 17.542 1.00 0.00 H new ATOM 0 HA VAL A 108 5.050 6.072 20.160 1.00 0.00 H new ATOM 0 HB VAL A 108 7.245 5.669 19.190 1.00 0.00 H new ATOM 0 HG11 VAL A 108 6.627 3.859 17.633 1.00 0.00 H new ATOM 0 HG12 VAL A 108 5.571 3.896 19.064 1.00 0.00 H new ATOM 0 HG13 VAL A 108 4.986 4.536 17.510 1.00 0.00 H new ATOM 0 HG21 VAL A 108 7.642 5.924 16.775 1.00 0.00 H new ATOM 0 HG22 VAL A 108 6.052 6.704 16.602 1.00 0.00 H new ATOM 0 HG23 VAL A 108 7.326 7.485 17.568 1.00 0.00 H new ATOM 1797 N GLN A 109 7.033 7.996 20.322 1.00 0.00 N ATOM 1798 CA GLN A 109 7.696 9.238 20.727 1.00 0.00 C ATOM 1799 C GLN A 109 6.831 10.016 21.729 1.00 0.00 C ATOM 1800 O GLN A 109 7.071 11.193 22.009 1.00 0.00 O ATOM 1801 CB GLN A 109 8.004 10.098 19.492 1.00 0.00 C ATOM 1802 CG GLN A 109 8.973 11.236 19.755 1.00 0.00 C ATOM 1803 CD GLN A 109 9.018 12.238 18.621 1.00 0.00 C ATOM 1804 OE1 GLN A 109 8.819 11.894 17.454 1.00 0.00 O ATOM 1805 NE2 GLN A 109 9.260 13.492 18.962 1.00 0.00 N ATOM 0 H GLN A 109 7.521 7.149 20.614 1.00 0.00 H new ATOM 0 HA GLN A 109 8.635 8.986 21.220 1.00 0.00 H new ATOM 0 HB2 GLN A 109 8.415 9.459 18.711 1.00 0.00 H new ATOM 0 HB3 GLN A 109 7.071 10.511 19.108 1.00 0.00 H new ATOM 0 HG2 GLN A 109 8.687 11.747 20.675 1.00 0.00 H new ATOM 0 HG3 GLN A 109 9.971 10.828 19.914 1.00 0.00 H new ATOM 0 HE21 GLN A 109 9.419 13.733 19.940 1.00 0.00 H new ATOM 0 HE22 GLN A 109 9.287 14.219 18.247 1.00 0.00 H new ATOM 1814 N LYS A 110 5.821 9.341 22.269 1.00 0.00 N ATOM 1815 CA LYS A 110 4.951 9.931 23.275 1.00 0.00 C ATOM 1816 C LYS A 110 5.704 10.084 24.588 1.00 0.00 C ATOM 1817 O LYS A 110 6.275 9.119 25.097 1.00 0.00 O ATOM 1818 CB LYS A 110 3.708 9.061 23.491 1.00 0.00 C ATOM 1819 CG LYS A 110 2.824 8.919 22.259 1.00 0.00 C ATOM 1820 CD LYS A 110 1.687 7.934 22.504 1.00 0.00 C ATOM 1821 CE LYS A 110 0.726 8.429 23.574 1.00 0.00 C ATOM 1822 NZ LYS A 110 -0.116 9.559 23.098 1.00 0.00 N ATOM 0 H LYS A 110 5.586 8.379 22.023 1.00 0.00 H new ATOM 0 HA LYS A 110 4.634 10.913 22.923 1.00 0.00 H new ATOM 0 HB2 LYS A 110 4.024 8.069 23.814 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.117 9.487 24.302 1.00 0.00 H new ATOM 0 HG2 LYS A 110 2.413 9.892 21.989 1.00 0.00 H new ATOM 0 HG3 LYS A 110 3.425 8.581 21.415 1.00 0.00 H new ATOM 0 HD2 LYS A 110 1.142 7.771 21.574 1.00 0.00 H new ATOM 0 HD3 LYS A 110 2.100 6.971 22.805 1.00 0.00 H new ATOM 0 HE2 LYS A 110 0.083 7.608 23.890 1.00 0.00 H new ATOM 0 HE3 LYS A 110 1.293 8.745 24.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 0.053 10.393 23.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 0.129 9.783 22.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -1.119 9.291 23.153 1.00 0.00 H new ATOM 1836 N LEU A 111 5.703 11.293 25.126 1.00 0.00 N ATOM 1837 CA LEU A 111 6.391 11.571 26.379 1.00 0.00 C ATOM 1838 C LEU A 111 5.436 11.447 27.560 1.00 0.00 C ATOM 1839 O LEU A 111 5.738 11.893 28.668 1.00 0.00 O ATOM 1840 CB LEU A 111 7.012 12.969 26.347 1.00 0.00 C ATOM 1841 CG LEU A 111 8.067 13.184 25.260 1.00 0.00 C ATOM 1842 CD1 LEU A 111 8.644 14.585 25.353 1.00 0.00 C ATOM 1843 CD2 LEU A 111 9.170 12.142 25.371 1.00 0.00 C ATOM 0 H LEU A 111 5.233 12.099 24.715 1.00 0.00 H new ATOM 0 HA LEU A 111 7.186 10.835 26.501 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.216 13.701 26.209 1.00 0.00 H new ATOM 0 HB3 LEU A 111 7.466 13.171 27.317 1.00 0.00 H new ATOM 0 HG LEU A 111 7.588 13.072 24.287 1.00 0.00 H new ATOM 0 HD11 LEU A 111 9.393 14.723 24.573 1.00 0.00 H new ATOM 0 HD12 LEU A 111 7.846 15.316 25.223 1.00 0.00 H new ATOM 0 HD13 LEU A 111 9.108 14.723 26.330 1.00 0.00 H new ATOM 0 HD21 LEU A 111 9.911 12.312 24.589 1.00 0.00 H new ATOM 0 HD22 LEU A 111 9.648 12.221 26.347 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.743 11.146 25.256 1.00 0.00 H new ATOM 1855 N GLU A 112 4.282 10.846 27.313 1.00 0.00 N ATOM 1856 CA GLU A 112 3.322 10.578 28.370 1.00 0.00 C ATOM 1857 C GLU A 112 3.840 9.462 29.268 1.00 0.00 C ATOM 1858 O GLU A 112 4.476 8.524 28.794 1.00 0.00 O ATOM 1859 CB GLU A 112 1.965 10.210 27.775 1.00 0.00 C ATOM 1860 CG GLU A 112 1.279 11.377 27.085 1.00 0.00 C ATOM 1861 CD GLU A 112 -0.015 10.977 26.412 1.00 0.00 C ATOM 1862 OE1 GLU A 112 -0.910 10.445 27.101 1.00 0.00 O ATOM 1863 OE2 GLU A 112 -0.144 11.190 25.192 1.00 0.00 O ATOM 0 H GLU A 112 3.988 10.534 26.387 1.00 0.00 H new ATOM 0 HA GLU A 112 3.194 11.478 28.972 1.00 0.00 H new ATOM 0 HB2 GLU A 112 2.097 9.399 27.059 1.00 0.00 H new ATOM 0 HB3 GLU A 112 1.318 9.833 28.567 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.077 12.159 27.817 1.00 0.00 H new ATOM 0 HG3 GLU A 112 1.954 11.803 26.342 1.00 0.00 H new ATOM 1870 N HIS A 113 3.541 9.560 30.553 1.00 0.00 N ATOM 1871 CA HIS A 113 4.130 8.680 31.559 1.00 0.00 C ATOM 1872 C HIS A 113 3.680 7.231 31.373 1.00 0.00 C ATOM 1873 O HIS A 113 4.352 6.304 31.821 1.00 0.00 O ATOM 1874 CB HIS A 113 3.763 9.172 32.961 1.00 0.00 C ATOM 1875 CG HIS A 113 4.591 8.569 34.053 1.00 0.00 C ATOM 1876 ND1 HIS A 113 5.770 9.126 34.489 1.00 0.00 N ATOM 1877 CD2 HIS A 113 4.400 7.463 34.808 1.00 0.00 C ATOM 1878 CE1 HIS A 113 6.270 8.392 35.462 1.00 0.00 C ATOM 1879 NE2 HIS A 113 5.458 7.376 35.676 1.00 0.00 N ATOM 0 H HIS A 113 2.888 10.246 30.930 1.00 0.00 H new ATOM 0 HA HIS A 113 5.213 8.708 31.437 1.00 0.00 H new ATOM 0 HB2 HIS A 113 3.870 10.256 32.994 1.00 0.00 H new ATOM 0 HB3 HIS A 113 2.713 8.949 33.150 1.00 0.00 H new ATOM 0 HD2 HIS A 113 3.569 6.776 34.740 1.00 0.00 H new ATOM 0 HE1 HIS A 113 7.189 8.589 35.994 1.00 0.00 H new ATOM 0 HE2 HIS A 113 5.594 6.644 36.374 1.00 0.00 H new ATOM 1888 N HIS A 114 2.544 7.042 30.714 1.00 0.00 N ATOM 1889 CA HIS A 114 2.028 5.702 30.458 1.00 0.00 C ATOM 1890 C HIS A 114 2.860 5.017 29.372 1.00 0.00 C ATOM 1891 O HIS A 114 2.934 3.790 29.313 1.00 0.00 O ATOM 1892 CB HIS A 114 0.550 5.771 30.040 1.00 0.00 C ATOM 1893 CG HIS A 114 -0.148 4.438 30.008 1.00 0.00 C ATOM 1894 ND1 HIS A 114 -1.126 4.079 30.911 1.00 0.00 N ATOM 1895 CD2 HIS A 114 -0.013 3.381 29.171 1.00 0.00 C ATOM 1896 CE1 HIS A 114 -1.555 2.862 30.633 1.00 0.00 C ATOM 1897 NE2 HIS A 114 -0.897 2.416 29.582 1.00 0.00 N ATOM 0 H HIS A 114 1.963 7.796 30.348 1.00 0.00 H new ATOM 0 HA HIS A 114 2.100 5.116 31.374 1.00 0.00 H new ATOM 0 HB2 HIS A 114 0.020 6.429 30.729 1.00 0.00 H new ATOM 0 HB3 HIS A 114 0.485 6.226 29.052 1.00 0.00 H new ATOM 0 HD2 HIS A 114 0.666 3.311 28.334 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -2.317 2.323 31.176 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -1.024 1.503 29.146 1.00 0.00 H new ATOM 1906 N HIS A 115 3.501 5.816 28.531 1.00 0.00 N ATOM 1907 CA HIS A 115 4.266 5.289 27.413 1.00 0.00 C ATOM 1908 C HIS A 115 5.760 5.346 27.713 1.00 0.00 C ATOM 1909 O HIS A 115 6.310 6.411 27.987 1.00 0.00 O ATOM 1910 CB HIS A 115 3.953 6.073 26.136 1.00 0.00 C ATOM 1911 CG HIS A 115 4.555 5.475 24.900 1.00 0.00 C ATOM 1912 ND1 HIS A 115 3.892 4.568 24.109 1.00 0.00 N ATOM 1913 CD2 HIS A 115 5.769 5.651 24.327 1.00 0.00 C ATOM 1914 CE1 HIS A 115 4.666 4.209 23.104 1.00 0.00 C ATOM 1915 NE2 HIS A 115 5.817 4.850 23.209 1.00 0.00 N ATOM 0 H HIS A 115 3.506 6.833 28.603 1.00 0.00 H new ATOM 0 HA HIS A 115 3.982 4.248 27.263 1.00 0.00 H new ATOM 0 HB2 HIS A 115 2.872 6.131 26.011 1.00 0.00 H new ATOM 0 HB3 HIS A 115 4.316 7.095 26.249 1.00 0.00 H new ATOM 0 HD2 HIS A 115 6.555 6.301 24.682 1.00 0.00 H new ATOM 0 HE1 HIS A 115 4.403 3.508 22.325 1.00 0.00 H new ATOM 0 HE2 HIS A 115 6.607 4.765 22.570 1.00 0.00 H new ATOM 1924 N HIS A 116 6.412 4.201 27.646 1.00 0.00 N ATOM 1925 CA HIS A 116 7.840 4.118 27.917 1.00 0.00 C ATOM 1926 C HIS A 116 8.621 4.171 26.613 1.00 0.00 C ATOM 1927 O HIS A 116 8.048 4.053 25.530 1.00 0.00 O ATOM 1928 CB HIS A 116 8.176 2.826 28.669 1.00 0.00 C ATOM 1929 CG HIS A 116 7.340 2.603 29.891 1.00 0.00 C ATOM 1930 ND1 HIS A 116 7.464 3.349 31.043 1.00 0.00 N ATOM 1931 CD2 HIS A 116 6.351 1.712 30.130 1.00 0.00 C ATOM 1932 CE1 HIS A 116 6.591 2.922 31.936 1.00 0.00 C ATOM 1933 NE2 HIS A 116 5.903 1.930 31.405 1.00 0.00 N ATOM 0 H HIS A 116 5.976 3.311 27.406 1.00 0.00 H new ATOM 0 HA HIS A 116 8.120 4.967 28.541 1.00 0.00 H new ATOM 0 HB2 HIS A 116 8.049 1.980 27.994 1.00 0.00 H new ATOM 0 HB3 HIS A 116 9.227 2.848 28.958 1.00 0.00 H new ATOM 0 HD2 HIS A 116 5.983 0.966 29.442 1.00 0.00 H new ATOM 0 HE1 HIS A 116 6.462 3.318 32.933 1.00 0.00 H new ATOM 0 HE2 HIS A 116 5.158 1.410 31.869 1.00 0.00 H new ATOM 1942 N HIS A 117 9.928 4.350 26.712 1.00 0.00 N ATOM 1943 CA HIS A 117 10.775 4.378 25.529 1.00 0.00 C ATOM 1944 C HIS A 117 11.238 2.970 25.187 1.00 0.00 C ATOM 1945 O HIS A 117 10.909 2.439 24.127 1.00 0.00 O ATOM 1946 CB HIS A 117 11.980 5.301 25.736 1.00 0.00 C ATOM 1947 CG HIS A 117 11.604 6.734 25.953 1.00 0.00 C ATOM 1948 ND1 HIS A 117 11.527 7.658 24.935 1.00 0.00 N ATOM 1949 CD2 HIS A 117 11.277 7.401 27.086 1.00 0.00 C ATOM 1950 CE1 HIS A 117 11.170 8.828 25.431 1.00 0.00 C ATOM 1951 NE2 HIS A 117 11.012 8.700 26.735 1.00 0.00 N ATOM 0 H HIS A 117 10.424 4.478 27.594 1.00 0.00 H new ATOM 0 HA HIS A 117 10.190 4.772 24.698 1.00 0.00 H new ATOM 0 HB2 HIS A 117 12.553 4.950 26.594 1.00 0.00 H new ATOM 0 HB3 HIS A 117 12.634 5.233 24.866 1.00 0.00 H new ATOM 0 HD2 HIS A 117 11.233 6.986 28.082 1.00 0.00 H new ATOM 0 HE1 HIS A 117 11.031 9.737 24.865 1.00 0.00 H new ATOM 0 HE2 HIS A 117 10.738 9.445 27.376 1.00 0.00 H new ATOM 1960 N HIS A 118 11.991 2.363 26.092 1.00 0.00 N ATOM 1961 CA HIS A 118 12.428 0.988 25.913 1.00 0.00 C ATOM 1962 C HIS A 118 12.041 0.161 27.129 1.00 0.00 C ATOM 1963 O HIS A 118 12.933 -0.188 27.928 1.00 0.00 O ATOM 1964 CB HIS A 118 13.940 0.909 25.677 1.00 0.00 C ATOM 1965 CG HIS A 118 14.390 1.563 24.409 1.00 0.00 C ATOM 1966 ND1 HIS A 118 15.374 2.523 24.369 1.00 0.00 N ATOM 1967 CD2 HIS A 118 13.991 1.384 23.126 1.00 0.00 C ATOM 1968 CE1 HIS A 118 15.561 2.909 23.122 1.00 0.00 C ATOM 1969 NE2 HIS A 118 14.735 2.234 22.348 1.00 0.00 N ATOM 1970 OXT HIS A 118 10.836 -0.107 27.296 1.00 0.00 O ATOM 0 H HIS A 118 12.311 2.800 26.956 1.00 0.00 H new ATOM 0 HA HIS A 118 11.932 0.585 25.030 1.00 0.00 H new ATOM 0 HB2 HIS A 118 14.454 1.376 26.517 1.00 0.00 H new ATOM 0 HB3 HIS A 118 14.241 -0.138 25.661 1.00 0.00 H new ATOM 0 HD2 HIS A 118 13.230 0.700 22.781 1.00 0.00 H new ATOM 0 HE1 HIS A 118 16.271 3.653 22.791 1.00 0.00 H new ATOM 0 HE2 HIS A 118 14.661 2.328 21.335 1.00 0.00 H new TER 1979 HIS A 118