USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=28 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 -98:sc= 1.01 USER MOD Set 1.2: A 82 TYR OH : rot 180:sc= 0.874 USER MOD Set 2.1: A 24 LYS NZ :NH3+ 162:sc= 0.673 (180deg=0) USER MOD Set 2.2: A 26 THR OG1 : rot -110:sc= 0.59 USER MOD Single : A 1 LYS N :NH3+ -178:sc= 0 (180deg=-0.00382) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -2.19! C(o=-2.2!,f=-5.4!) USER MOD Single : A 9 ASN : amide:sc= -0.0382 X(o=-0.038,f=0) USER MOD Single : A 10 THR OG1 : rot 24:sc= 1.25 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 71:sc= 0.00252 USER MOD Single : A 23 THR OG1 : rot -76:sc= 1.25 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 91:sc= 1.27 USER MOD Single : A 32 GLN : amide:sc= 1.28 K(o=1.3,f=-1.4) USER MOD Single : A 34 SER OG : rot 83:sc= 1.2 USER MOD Single : A 37 THR OG1 : rot -40:sc= 0.392 USER MOD Single : A 41 THR OG1 : rot 90:sc= 1.26 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0.0969 K(o=0.097,f=-3.4!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0342 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -170:sc= 0.246 (180deg=0.162) USER MOD Single : A 69 LYS NZ :NH3+ -126:sc= 0.0233 (180deg=-0.145) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 135:sc= -0.29 (180deg=-2.08) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.074 K(o=-0.074,f=-0.73) USER MOD Single : A 84 THR OG1 : rot 91:sc= 1.24 USER MOD Single : A 87 MET CE :methyl 159:sc= -1.44 (180deg=-2.02!) USER MOD Single : A 89 TYR OH : rot 30:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 GLN : amide:sc= -0.592 K(o=-0.59,f=-0.023) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 MET CE :methyl 167:sc= -7.58! (180deg=-8.09!) USER MOD Single : A 99 ASN : amide:sc= -0.741 K(o=-0.74,f=-11!) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 110 LYS NZ :NH3+ -172:sc= -0.002 (180deg=-0.09) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 HIS : no HD1:sc= 0.322 K(o=0.32,f=-4.6!) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 116 HIS : no HE2:sc= 0.574 K(o=0.57,f=-4.5!) 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 -22.499 13.918 -10.522 1.00 0.00 N ATOM 2 CA LYS A 1 -21.170 13.617 -11.093 1.00 0.00 C ATOM 3 C LYS A 1 -21.279 12.573 -12.194 1.00 0.00 C ATOM 4 O LYS A 1 -22.016 11.594 -12.063 1.00 0.00 O ATOM 5 CB LYS A 1 -20.220 13.093 -10.010 1.00 0.00 C ATOM 6 CG LYS A 1 -19.849 14.113 -8.948 1.00 0.00 C ATOM 7 CD LYS A 1 -18.857 13.525 -7.956 1.00 0.00 C ATOM 8 CE LYS A 1 -18.462 14.527 -6.885 1.00 0.00 C ATOM 9 NZ LYS A 1 -17.491 13.947 -5.917 1.00 0.00 N ATOM 0 H1 LYS A 1 -22.406 14.657 -9.796 1.00 0.00 H new ATOM 0 H2 LYS A 1 -23.133 14.251 -11.276 1.00 0.00 H new ATOM 0 H3 LYS A 1 -22.895 13.058 -10.091 1.00 0.00 H new ATOM 0 HA LYS A 1 -20.775 14.544 -11.508 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -20.682 12.234 -9.524 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -19.307 12.736 -10.487 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -19.418 14.996 -9.420 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -20.746 14.439 -8.422 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -19.294 12.644 -7.485 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -17.966 13.193 -8.488 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -18.025 15.408 -7.355 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -19.353 14.859 -6.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -17.246 14.661 -5.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -17.917 13.121 -5.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -16.631 13.653 -6.422 1.00 0.00 H new ATOM 25 N SER A 2 -20.553 12.788 -13.278 1.00 0.00 N ATOM 26 CA SER A 2 -20.443 11.792 -14.330 1.00 0.00 C ATOM 27 C SER A 2 -19.143 11.021 -14.152 1.00 0.00 C ATOM 28 O SER A 2 -18.057 11.527 -14.449 1.00 0.00 O ATOM 29 CB SER A 2 -20.496 12.447 -15.713 1.00 0.00 C ATOM 30 OG SER A 2 -20.406 11.478 -16.745 1.00 0.00 O ATOM 0 H SER A 2 -20.030 13.646 -13.453 1.00 0.00 H new ATOM 0 HA SER A 2 -21.286 11.105 -14.260 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.425 13.007 -15.817 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.680 13.163 -15.811 1.00 0.00 H new ATOM 0 HG SER A 2 -20.444 11.924 -17.617 1.00 0.00 H new ATOM 36 N VAL A 3 -19.257 9.811 -13.635 1.00 0.00 N ATOM 37 CA VAL A 3 -18.092 8.990 -13.355 1.00 0.00 C ATOM 38 C VAL A 3 -18.010 7.818 -14.325 1.00 0.00 C ATOM 39 O VAL A 3 -18.998 7.466 -14.973 1.00 0.00 O ATOM 40 CB VAL A 3 -18.110 8.455 -11.907 1.00 0.00 C ATOM 41 CG1 VAL A 3 -17.990 9.601 -10.911 1.00 0.00 C ATOM 42 CG2 VAL A 3 -19.372 7.645 -11.645 1.00 0.00 C ATOM 0 H VAL A 3 -20.148 9.373 -13.400 1.00 0.00 H new ATOM 0 HA VAL A 3 -17.215 9.625 -13.480 1.00 0.00 H new ATOM 0 HB VAL A 3 -17.252 7.796 -11.777 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -18.005 9.204 -9.896 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -17.053 10.133 -11.079 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -18.826 10.288 -11.044 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -19.362 7.278 -10.619 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -20.248 8.276 -11.797 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -19.411 6.800 -12.332 1.00 0.00 H new ATOM 52 N GLN A 4 -16.831 7.223 -14.423 1.00 0.00 N ATOM 53 CA GLN A 4 -16.633 6.075 -15.293 1.00 0.00 C ATOM 54 C GLN A 4 -17.247 4.834 -14.657 1.00 0.00 C ATOM 55 O GLN A 4 -18.098 4.169 -15.250 1.00 0.00 O ATOM 56 CB GLN A 4 -15.141 5.856 -15.550 1.00 0.00 C ATOM 57 CG GLN A 4 -14.858 4.810 -16.612 1.00 0.00 C ATOM 58 CD GLN A 4 -13.377 4.551 -16.803 1.00 0.00 C ATOM 59 OE1 GLN A 4 -12.546 5.428 -16.567 1.00 0.00 O ATOM 60 NE2 GLN A 4 -13.040 3.351 -17.242 1.00 0.00 N ATOM 0 H GLN A 4 -15.998 7.516 -13.912 1.00 0.00 H new ATOM 0 HA GLN A 4 -17.124 6.264 -16.248 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -14.690 6.801 -15.852 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -14.660 5.557 -14.619 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -15.353 3.878 -16.338 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -15.290 5.134 -17.559 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -13.762 2.654 -17.425 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -12.058 3.122 -17.398 1.00 0.00 H new ATOM 69 N GLU A 5 -16.812 4.543 -13.440 1.00 0.00 N ATOM 70 CA GLU A 5 -17.331 3.419 -12.679 1.00 0.00 C ATOM 71 C GLU A 5 -17.979 3.917 -11.395 1.00 0.00 C ATOM 72 O GLU A 5 -17.544 4.916 -10.820 1.00 0.00 O ATOM 73 CB GLU A 5 -16.208 2.432 -12.359 1.00 0.00 C ATOM 74 CG GLU A 5 -15.691 1.678 -13.573 1.00 0.00 C ATOM 75 CD GLU A 5 -16.576 0.509 -13.952 1.00 0.00 C ATOM 76 OE1 GLU A 5 -17.802 0.697 -14.085 1.00 0.00 O ATOM 77 OE2 GLU A 5 -16.049 -0.612 -14.108 1.00 0.00 O ATOM 0 H GLU A 5 -16.092 5.078 -12.955 1.00 0.00 H new ATOM 0 HA GLU A 5 -18.083 2.905 -13.277 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -15.381 2.973 -11.900 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -16.567 1.713 -11.622 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.618 2.363 -14.418 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.684 1.315 -13.369 1.00 0.00 H new ATOM 84 N LYS A 6 -19.009 3.217 -10.944 1.00 0.00 N ATOM 85 CA LYS A 6 -19.758 3.633 -9.766 1.00 0.00 C ATOM 86 C LYS A 6 -18.920 3.472 -8.505 1.00 0.00 C ATOM 87 O LYS A 6 -19.018 4.272 -7.572 1.00 0.00 O ATOM 88 CB LYS A 6 -21.045 2.820 -9.638 1.00 0.00 C ATOM 89 CG LYS A 6 -21.980 2.959 -10.828 1.00 0.00 C ATOM 90 CD LYS A 6 -23.252 2.161 -10.615 1.00 0.00 C ATOM 91 CE LYS A 6 -24.218 2.323 -11.775 1.00 0.00 C ATOM 92 NZ LYS A 6 -25.488 1.597 -11.527 1.00 0.00 N ATOM 0 H LYS A 6 -19.346 2.357 -11.376 1.00 0.00 H new ATOM 0 HA LYS A 6 -20.011 4.687 -9.884 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -20.788 1.768 -9.511 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -21.572 3.131 -8.736 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -22.227 4.010 -10.981 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -21.478 2.615 -11.732 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -23.004 1.107 -10.493 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -23.734 2.484 -9.692 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -24.427 3.381 -11.932 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -23.757 1.950 -12.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -26.126 1.727 -12.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -25.290 0.584 -11.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -25.939 1.970 -10.668 1.00 0.00 H new ATOM 106 N ARG A 7 -18.076 2.448 -8.489 1.00 0.00 N ATOM 107 CA ARG A 7 -17.252 2.158 -7.323 1.00 0.00 C ATOM 108 C ARG A 7 -16.110 3.158 -7.178 1.00 0.00 C ATOM 109 O ARG A 7 -15.390 3.137 -6.189 1.00 0.00 O ATOM 110 CB ARG A 7 -16.710 0.728 -7.377 1.00 0.00 C ATOM 111 CG ARG A 7 -17.784 -0.322 -7.154 1.00 0.00 C ATOM 112 CD ARG A 7 -17.215 -1.733 -7.145 1.00 0.00 C ATOM 113 NE ARG A 7 -16.240 -1.936 -6.072 1.00 0.00 N ATOM 114 CZ ARG A 7 -16.543 -2.454 -4.879 1.00 0.00 C ATOM 115 NH1 ARG A 7 -17.803 -2.714 -4.565 1.00 0.00 N ATOM 116 NH2 ARG A 7 -15.588 -2.690 -3.989 1.00 0.00 N ATOM 0 H ARG A 7 -17.944 1.805 -9.270 1.00 0.00 H new ATOM 0 HA ARG A 7 -17.890 2.253 -6.444 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -16.241 0.560 -8.346 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -15.933 0.611 -6.622 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -18.287 -0.129 -6.207 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -18.537 -0.241 -7.938 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -18.029 -2.449 -7.032 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -16.742 -1.937 -8.105 1.00 0.00 H new ATOM 0 HE ARG A 7 -15.272 -1.666 -6.246 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -18.546 -2.519 -5.235 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -18.030 -3.110 -3.653 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -14.617 -2.476 -4.214 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -15.825 -3.086 -3.079 1.00 0.00 H new ATOM 130 N ASN A 8 -15.962 4.053 -8.145 1.00 0.00 N ATOM 131 CA ASN A 8 -14.962 5.113 -8.040 1.00 0.00 C ATOM 132 C ASN A 8 -15.391 6.127 -6.985 1.00 0.00 C ATOM 133 O ASN A 8 -14.614 6.990 -6.571 1.00 0.00 O ATOM 134 CB ASN A 8 -14.746 5.811 -9.386 1.00 0.00 C ATOM 135 CG ASN A 8 -14.047 4.928 -10.404 1.00 0.00 C ATOM 136 OD1 ASN A 8 -14.187 3.706 -10.391 1.00 0.00 O ATOM 137 ND2 ASN A 8 -13.280 5.542 -11.289 1.00 0.00 N ATOM 0 H ASN A 8 -16.513 4.069 -9.003 1.00 0.00 H new ATOM 0 HA ASN A 8 -14.016 4.660 -7.743 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -15.710 6.125 -9.786 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -14.156 6.715 -9.231 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -12.779 5.000 -11.993 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -13.189 6.558 -11.268 1.00 0.00 H new ATOM 144 N ASN A 9 -16.645 6.019 -6.563 1.00 0.00 N ATOM 145 CA ASN A 9 -17.156 6.831 -5.472 1.00 0.00 C ATOM 146 C ASN A 9 -16.685 6.260 -4.142 1.00 0.00 C ATOM 147 O ASN A 9 -16.332 7.005 -3.228 1.00 0.00 O ATOM 148 CB ASN A 9 -18.688 6.896 -5.515 1.00 0.00 C ATOM 149 CG ASN A 9 -19.270 7.718 -4.378 1.00 0.00 C ATOM 150 OD1 ASN A 9 -19.415 8.938 -4.486 1.00 0.00 O ATOM 151 ND2 ASN A 9 -19.629 7.056 -3.287 1.00 0.00 N ATOM 0 H ASN A 9 -17.327 5.374 -6.963 1.00 0.00 H new ATOM 0 HA ASN A 9 -16.772 7.845 -5.580 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -19.003 7.324 -6.466 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -19.092 5.885 -5.471 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -20.041 7.556 -2.499 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -19.493 6.046 -3.235 1.00 0.00 H new ATOM 158 N THR A 10 -16.666 4.933 -4.046 1.00 0.00 N ATOM 159 CA THR A 10 -16.207 4.267 -2.839 1.00 0.00 C ATOM 160 C THR A 10 -14.689 4.341 -2.725 1.00 0.00 C ATOM 161 O THR A 10 -13.961 3.835 -3.577 1.00 0.00 O ATOM 162 CB THR A 10 -16.675 2.799 -2.779 1.00 0.00 C ATOM 163 OG1 THR A 10 -16.499 2.166 -4.051 1.00 0.00 O ATOM 164 CG2 THR A 10 -18.135 2.710 -2.359 1.00 0.00 C ATOM 0 H THR A 10 -16.963 4.302 -4.790 1.00 0.00 H new ATOM 0 HA THR A 10 -16.651 4.792 -1.993 1.00 0.00 H new ATOM 0 HB THR A 10 -16.067 2.284 -2.036 1.00 0.00 H new ATOM 0 HG1 THR A 10 -15.803 2.636 -4.557 1.00 0.00 H new ATOM 0 HG21 THR A 10 -18.441 1.664 -2.324 1.00 0.00 H new ATOM 0 HG22 THR A 10 -18.258 3.157 -1.372 1.00 0.00 H new ATOM 0 HG23 THR A 10 -18.754 3.245 -3.079 1.00 0.00 H new ATOM 172 N ARG A 11 -14.225 4.967 -1.656 1.00 0.00 N ATOM 173 CA ARG A 11 -12.810 5.263 -1.488 1.00 0.00 C ATOM 174 C ARG A 11 -12.117 4.197 -0.648 1.00 0.00 C ATOM 175 O ARG A 11 -11.181 4.485 0.101 1.00 0.00 O ATOM 176 CB ARG A 11 -12.657 6.657 -0.878 1.00 0.00 C ATOM 177 CG ARG A 11 -13.207 7.740 -1.796 1.00 0.00 C ATOM 178 CD ARG A 11 -13.223 9.112 -1.146 1.00 0.00 C ATOM 179 NE ARG A 11 -13.748 10.128 -2.059 1.00 0.00 N ATOM 180 CZ ARG A 11 -13.848 11.420 -1.758 1.00 0.00 C ATOM 181 NH1 ARG A 11 -13.467 11.855 -0.564 1.00 0.00 N ATOM 182 NH2 ARG A 11 -14.328 12.274 -2.654 1.00 0.00 N ATOM 0 H ARG A 11 -14.813 5.283 -0.885 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.322 5.253 -2.463 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -13.177 6.694 0.079 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.604 6.852 -0.677 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.605 7.780 -2.704 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -14.220 7.474 -2.097 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -13.833 9.082 -0.243 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.213 9.383 -0.839 1.00 0.00 H new ATOM 0 HE ARG A 11 -14.056 9.827 -2.983 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.097 11.199 0.124 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.544 12.846 -0.334 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.620 11.939 -3.572 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.405 13.265 -2.424 1.00 0.00 H new ATOM 196 N ALA A 12 -12.580 2.960 -0.804 1.00 0.00 N ATOM 197 CA ALA A 12 -11.917 1.801 -0.224 1.00 0.00 C ATOM 198 C ALA A 12 -10.507 1.686 -0.776 1.00 0.00 C ATOM 199 O ALA A 12 -10.284 1.915 -1.968 1.00 0.00 O ATOM 200 CB ALA A 12 -12.713 0.540 -0.522 1.00 0.00 C ATOM 0 H ALA A 12 -13.422 2.736 -1.334 1.00 0.00 H new ATOM 0 HA ALA A 12 -11.860 1.924 0.858 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.208 -0.321 -0.084 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -13.712 0.631 -0.095 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -12.790 0.405 -1.601 1.00 0.00 H new ATOM 206 N PHE A 13 -9.568 1.336 0.094 1.00 0.00 N ATOM 207 CA PHE A 13 -8.154 1.262 -0.270 1.00 0.00 C ATOM 208 C PHE A 13 -7.959 0.424 -1.532 1.00 0.00 C ATOM 209 O PHE A 13 -7.138 0.753 -2.383 1.00 0.00 O ATOM 210 CB PHE A 13 -7.343 0.668 0.887 1.00 0.00 C ATOM 211 CG PHE A 13 -5.860 0.902 0.777 1.00 0.00 C ATOM 212 CD1 PHE A 13 -5.051 0.040 0.055 1.00 0.00 C ATOM 213 CD2 PHE A 13 -5.279 1.992 1.404 1.00 0.00 C ATOM 214 CE1 PHE A 13 -3.691 0.263 -0.042 1.00 0.00 C ATOM 215 CE2 PHE A 13 -3.919 2.221 1.312 1.00 0.00 C ATOM 216 CZ PHE A 13 -3.123 1.355 0.588 1.00 0.00 C ATOM 0 H PHE A 13 -9.761 1.096 1.067 1.00 0.00 H new ATOM 0 HA PHE A 13 -7.800 2.273 -0.473 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.700 1.095 1.824 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -7.529 -0.405 0.935 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -5.488 -0.816 -0.438 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.897 2.672 1.972 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.072 -0.415 -0.610 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.480 3.075 1.805 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.060 1.530 0.514 1.00 0.00 H new ATOM 226 N LYS A 14 -8.742 -0.642 -1.652 1.00 0.00 N ATOM 227 CA LYS A 14 -8.661 -1.534 -2.803 1.00 0.00 C ATOM 228 C LYS A 14 -9.042 -0.802 -4.087 1.00 0.00 C ATOM 229 O LYS A 14 -8.307 -0.830 -5.074 1.00 0.00 O ATOM 230 CB LYS A 14 -9.588 -2.733 -2.607 1.00 0.00 C ATOM 231 CG LYS A 14 -9.409 -3.423 -1.267 1.00 0.00 C ATOM 232 CD LYS A 14 -10.084 -4.787 -1.255 1.00 0.00 C ATOM 233 CE LYS A 14 -9.556 -5.664 -0.130 1.00 0.00 C ATOM 234 NZ LYS A 14 -10.134 -7.032 -0.176 1.00 0.00 N ATOM 0 H LYS A 14 -9.444 -0.911 -0.962 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.631 -1.880 -2.889 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.622 -2.402 -2.701 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -9.410 -3.454 -3.405 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.346 -3.538 -1.054 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.827 -2.801 -0.476 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.161 -4.660 -1.143 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.920 -5.283 -2.211 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.470 -5.726 -0.198 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.790 -5.203 0.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.749 -7.598 0.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.169 -6.975 -0.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.890 -7.482 -1.081 1.00 0.00 H new ATOM 248 N THR A 15 -10.188 -0.141 -4.052 1.00 0.00 N ATOM 249 CA THR A 15 -10.706 0.590 -5.199 1.00 0.00 C ATOM 250 C THR A 15 -9.765 1.725 -5.600 1.00 0.00 C ATOM 251 O THR A 15 -9.543 1.988 -6.786 1.00 0.00 O ATOM 252 CB THR A 15 -12.098 1.159 -4.870 1.00 0.00 C ATOM 253 OG1 THR A 15 -12.976 0.087 -4.502 1.00 0.00 O ATOM 254 CG2 THR A 15 -12.682 1.917 -6.049 1.00 0.00 C ATOM 0 H THR A 15 -10.786 -0.096 -3.227 1.00 0.00 H new ATOM 0 HA THR A 15 -10.783 -0.102 -6.038 1.00 0.00 H new ATOM 0 HB THR A 15 -11.993 1.858 -4.040 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.862 0.448 -4.291 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.665 2.305 -5.781 1.00 0.00 H new ATOM 0 HG22 THR A 15 -12.024 2.746 -6.311 1.00 0.00 H new ATOM 0 HG23 THR A 15 -12.777 1.245 -6.902 1.00 0.00 H new ATOM 262 N VAL A 16 -9.200 2.385 -4.605 1.00 0.00 N ATOM 263 CA VAL A 16 -8.304 3.498 -4.850 1.00 0.00 C ATOM 264 C VAL A 16 -6.962 3.016 -5.384 1.00 0.00 C ATOM 265 O VAL A 16 -6.414 3.599 -6.322 1.00 0.00 O ATOM 266 CB VAL A 16 -8.114 4.330 -3.575 1.00 0.00 C ATOM 267 CG1 VAL A 16 -7.083 5.428 -3.789 1.00 0.00 C ATOM 268 CG2 VAL A 16 -9.452 4.914 -3.157 1.00 0.00 C ATOM 0 H VAL A 16 -9.347 2.168 -3.619 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.758 4.133 -5.611 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.740 3.686 -2.779 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.967 6.003 -2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.127 4.981 -4.060 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.415 6.088 -4.590 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.323 5.506 -2.251 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.837 5.549 -3.955 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.158 4.106 -2.965 1.00 0.00 H new ATOM 278 N ALA A 17 -6.447 1.939 -4.805 1.00 0.00 N ATOM 279 CA ALA A 17 -5.211 1.339 -5.285 1.00 0.00 C ATOM 280 C ALA A 17 -5.393 0.829 -6.710 1.00 0.00 C ATOM 281 O ALA A 17 -4.454 0.824 -7.499 1.00 0.00 O ATOM 282 CB ALA A 17 -4.765 0.214 -4.368 1.00 0.00 C ATOM 0 H ALA A 17 -6.865 1.465 -4.005 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.434 2.103 -5.284 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.839 -0.219 -4.747 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.598 0.607 -3.365 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.537 -0.554 -4.333 1.00 0.00 H new ATOM 288 N LYS A 18 -6.612 0.407 -7.029 1.00 0.00 N ATOM 289 CA LYS A 18 -6.962 0.013 -8.390 1.00 0.00 C ATOM 290 C LYS A 18 -6.731 1.175 -9.353 1.00 0.00 C ATOM 291 O LYS A 18 -6.119 1.014 -10.409 1.00 0.00 O ATOM 292 CB LYS A 18 -8.426 -0.429 -8.450 1.00 0.00 C ATOM 293 CG LYS A 18 -8.906 -0.788 -9.846 1.00 0.00 C ATOM 294 CD LYS A 18 -10.418 -0.926 -9.889 1.00 0.00 C ATOM 295 CE LYS A 18 -10.910 -1.268 -11.286 1.00 0.00 C ATOM 296 NZ LYS A 18 -12.393 -1.237 -11.367 1.00 0.00 N ATOM 0 H LYS A 18 -7.378 0.329 -6.360 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.326 -0.822 -8.685 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.562 -1.291 -7.797 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.053 0.371 -8.056 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.588 -0.020 -10.551 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.444 -1.723 -10.163 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.733 -1.702 -9.192 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.878 0.005 -9.558 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.491 -0.562 -12.003 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.550 -2.258 -11.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.693 -1.475 -12.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.792 -1.929 -10.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.734 -0.285 -11.123 1.00 0.00 H new ATOM 310 N SER A 19 -7.215 2.350 -8.968 1.00 0.00 N ATOM 311 CA SER A 19 -7.033 3.556 -9.765 1.00 0.00 C ATOM 312 C SER A 19 -5.554 3.938 -9.832 1.00 0.00 C ATOM 313 O SER A 19 -5.069 4.432 -10.850 1.00 0.00 O ATOM 314 CB SER A 19 -7.856 4.703 -9.173 1.00 0.00 C ATOM 315 OG SER A 19 -9.236 4.367 -9.128 1.00 0.00 O ATOM 0 H SER A 19 -7.739 2.493 -8.105 1.00 0.00 H new ATOM 0 HA SER A 19 -7.380 3.361 -10.780 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.500 4.930 -8.168 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.716 5.603 -9.772 1.00 0.00 H new ATOM 0 HG SER A 19 -9.383 3.681 -8.444 1.00 0.00 H new ATOM 321 N TRP A 20 -4.845 3.692 -8.741 1.00 0.00 N ATOM 322 CA TRP A 20 -3.412 3.938 -8.675 1.00 0.00 C ATOM 323 C TRP A 20 -2.671 2.988 -9.617 1.00 0.00 C ATOM 324 O TRP A 20 -1.761 3.392 -10.334 1.00 0.00 O ATOM 325 CB TRP A 20 -2.933 3.760 -7.231 1.00 0.00 C ATOM 326 CG TRP A 20 -1.472 4.015 -7.029 1.00 0.00 C ATOM 327 CD1 TRP A 20 -0.854 5.229 -6.935 1.00 0.00 C ATOM 328 CD2 TRP A 20 -0.447 3.028 -6.879 1.00 0.00 C ATOM 329 NE1 TRP A 20 0.494 5.055 -6.739 1.00 0.00 N ATOM 330 CE2 TRP A 20 0.768 3.713 -6.701 1.00 0.00 C ATOM 331 CE3 TRP A 20 -0.441 1.631 -6.881 1.00 0.00 C ATOM 332 CZ2 TRP A 20 1.977 3.046 -6.521 1.00 0.00 C ATOM 333 CZ3 TRP A 20 0.759 0.970 -6.703 1.00 0.00 C ATOM 334 CH2 TRP A 20 1.954 1.678 -6.525 1.00 0.00 C ATOM 0 H TRP A 20 -5.244 3.318 -7.880 1.00 0.00 H new ATOM 0 HA TRP A 20 -3.201 4.959 -8.992 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -3.499 4.433 -6.587 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.160 2.744 -6.908 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -1.352 6.185 -7.005 1.00 0.00 H new ATOM 0 HE1 TRP A 20 1.180 5.803 -6.638 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -1.358 1.078 -7.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 2.900 3.589 -6.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 0.776 -0.110 -6.701 1.00 0.00 H new ATOM 0 HH2 TRP A 20 2.876 1.133 -6.388 1.00 0.00 H new ATOM 345 N PHE A 21 -3.098 1.733 -9.631 1.00 0.00 N ATOM 346 CA PHE A 21 -2.501 0.708 -10.486 1.00 0.00 C ATOM 347 C PHE A 21 -2.782 0.994 -11.963 1.00 0.00 C ATOM 348 O PHE A 21 -2.056 0.541 -12.848 1.00 0.00 O ATOM 349 CB PHE A 21 -3.056 -0.668 -10.092 1.00 0.00 C ATOM 350 CG PHE A 21 -2.419 -1.829 -10.805 1.00 0.00 C ATOM 351 CD1 PHE A 21 -1.172 -2.297 -10.420 1.00 0.00 C ATOM 352 CD2 PHE A 21 -3.074 -2.463 -11.851 1.00 0.00 C ATOM 353 CE1 PHE A 21 -0.592 -3.373 -11.064 1.00 0.00 C ATOM 354 CE2 PHE A 21 -2.496 -3.538 -12.499 1.00 0.00 C ATOM 355 CZ PHE A 21 -1.255 -3.994 -12.105 1.00 0.00 C ATOM 0 H PHE A 21 -3.866 1.394 -9.052 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.420 0.718 -10.346 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.927 -0.803 -9.018 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.128 -0.682 -10.288 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.648 -1.815 -9.608 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.047 -2.112 -12.162 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.379 -3.729 -10.754 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.015 -4.021 -13.313 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.803 -4.835 -12.609 1.00 0.00 H new ATOM 365 N ALA A 22 -3.840 1.753 -12.221 1.00 0.00 N ATOM 366 CA ALA A 22 -4.226 2.092 -13.584 1.00 0.00 C ATOM 367 C ALA A 22 -3.568 3.391 -14.050 1.00 0.00 C ATOM 368 O ALA A 22 -3.687 3.775 -15.212 1.00 0.00 O ATOM 369 CB ALA A 22 -5.741 2.197 -13.692 1.00 0.00 C ATOM 0 H ALA A 22 -4.447 2.146 -11.502 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.877 1.292 -14.237 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.016 2.451 -14.716 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.192 1.242 -13.421 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.101 2.973 -13.017 1.00 0.00 H new ATOM 375 N THR A 23 -2.875 4.069 -13.145 1.00 0.00 N ATOM 376 CA THR A 23 -2.217 5.324 -13.486 1.00 0.00 C ATOM 377 C THR A 23 -0.701 5.216 -13.330 1.00 0.00 C ATOM 378 O THR A 23 0.059 5.685 -14.181 1.00 0.00 O ATOM 379 CB THR A 23 -2.754 6.492 -12.632 1.00 0.00 C ATOM 380 OG1 THR A 23 -2.897 6.079 -11.265 1.00 0.00 O ATOM 381 CG2 THR A 23 -4.093 6.985 -13.160 1.00 0.00 C ATOM 0 H THR A 23 -2.754 3.774 -12.176 1.00 0.00 H new ATOM 0 HA THR A 23 -2.444 5.530 -14.532 1.00 0.00 H new ATOM 0 HB THR A 23 -2.036 7.310 -12.691 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.692 5.513 -11.176 1.00 0.00 H new ATOM 0 HG21 THR A 23 -4.448 7.808 -12.540 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.974 7.330 -14.187 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.817 6.171 -13.132 1.00 0.00 H new ATOM 389 N LYS A 24 -0.267 4.591 -12.245 1.00 0.00 N ATOM 390 CA LYS A 24 1.149 4.382 -11.993 1.00 0.00 C ATOM 391 C LYS A 24 1.700 3.358 -12.978 1.00 0.00 C ATOM 392 O LYS A 24 1.376 2.177 -12.901 1.00 0.00 O ATOM 393 CB LYS A 24 1.360 3.905 -10.550 1.00 0.00 C ATOM 394 CG LYS A 24 2.815 3.851 -10.114 1.00 0.00 C ATOM 395 CD LYS A 24 3.453 5.231 -10.125 1.00 0.00 C ATOM 396 CE LYS A 24 4.847 5.202 -9.524 1.00 0.00 C ATOM 397 NZ LYS A 24 5.560 6.495 -9.708 1.00 0.00 N ATOM 0 H LYS A 24 -0.881 4.218 -11.521 1.00 0.00 H new ATOM 0 HA LYS A 24 1.682 5.323 -12.128 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.816 4.568 -9.878 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.923 2.912 -10.441 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.880 3.427 -9.112 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.370 3.187 -10.777 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.504 5.602 -11.149 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.828 5.927 -9.565 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.779 4.974 -8.460 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.424 4.401 -9.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.358 6.549 -9.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.917 6.559 -10.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.904 7.282 -9.527 1.00 0.00 H new ATOM 411 N THR A 25 2.507 3.820 -13.917 1.00 0.00 N ATOM 412 CA THR A 25 3.065 2.952 -14.941 1.00 0.00 C ATOM 413 C THR A 25 4.588 3.050 -14.950 1.00 0.00 C ATOM 414 O THR A 25 5.238 2.840 -15.974 1.00 0.00 O ATOM 415 CB THR A 25 2.505 3.327 -16.326 1.00 0.00 C ATOM 416 OG1 THR A 25 2.478 4.754 -16.473 1.00 0.00 O ATOM 417 CG2 THR A 25 1.103 2.769 -16.520 1.00 0.00 C ATOM 0 H THR A 25 2.792 4.796 -13.992 1.00 0.00 H new ATOM 0 HA THR A 25 2.781 1.925 -14.713 1.00 0.00 H new ATOM 0 HB THR A 25 3.158 2.892 -17.083 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.122 4.985 -17.356 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.733 3.049 -17.506 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.129 1.682 -16.438 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.441 3.175 -15.755 1.00 0.00 H new ATOM 425 N THR A 26 5.144 3.363 -13.787 1.00 0.00 N ATOM 426 CA THR A 26 6.576 3.579 -13.646 1.00 0.00 C ATOM 427 C THR A 26 7.341 2.252 -13.594 1.00 0.00 C ATOM 428 O THR A 26 8.526 2.191 -13.933 1.00 0.00 O ATOM 429 CB THR A 26 6.862 4.397 -12.371 1.00 0.00 C ATOM 430 OG1 THR A 26 5.997 5.543 -12.334 1.00 0.00 O ATOM 431 CG2 THR A 26 8.313 4.853 -12.322 1.00 0.00 C ATOM 0 H THR A 26 4.618 3.474 -12.920 1.00 0.00 H new ATOM 0 HA THR A 26 6.919 4.132 -14.520 1.00 0.00 H new ATOM 0 HB THR A 26 6.676 3.760 -11.507 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.525 6.356 -12.480 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.483 5.427 -11.411 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.969 3.982 -12.330 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.528 5.477 -13.190 1.00 0.00 H new ATOM 439 N TRP A 27 6.657 1.195 -13.180 1.00 0.00 N ATOM 440 CA TRP A 27 7.273 -0.122 -13.094 1.00 0.00 C ATOM 441 C TRP A 27 6.777 -1.011 -14.226 1.00 0.00 C ATOM 442 O TRP A 27 5.809 -0.676 -14.909 1.00 0.00 O ATOM 443 CB TRP A 27 6.964 -0.784 -11.748 1.00 0.00 C ATOM 444 CG TRP A 27 7.478 -0.018 -10.566 1.00 0.00 C ATOM 445 CD1 TRP A 27 8.728 0.508 -10.408 1.00 0.00 C ATOM 446 CD2 TRP A 27 6.760 0.283 -9.364 1.00 0.00 C ATOM 447 NE1 TRP A 27 8.827 1.128 -9.188 1.00 0.00 N ATOM 448 CE2 TRP A 27 7.634 1.003 -8.527 1.00 0.00 C ATOM 449 CE3 TRP A 27 5.463 0.019 -8.916 1.00 0.00 C ATOM 450 CZ2 TRP A 27 7.252 1.459 -7.268 1.00 0.00 C ATOM 451 CZ3 TRP A 27 5.086 0.473 -7.667 1.00 0.00 C ATOM 452 CH2 TRP A 27 5.977 1.186 -6.855 1.00 0.00 C ATOM 0 H TRP A 27 5.677 1.223 -12.899 1.00 0.00 H new ATOM 0 HA TRP A 27 8.352 0.005 -13.181 1.00 0.00 H new ATOM 0 HB2 TRP A 27 5.885 -0.903 -11.651 1.00 0.00 H new ATOM 0 HB3 TRP A 27 7.397 -1.784 -11.737 1.00 0.00 H new ATOM 0 HD1 TRP A 27 9.523 0.445 -11.137 1.00 0.00 H new ATOM 0 HE1 TRP A 27 9.655 1.605 -8.831 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.768 -0.530 -9.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 7.938 2.008 -6.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 4.086 0.275 -7.310 1.00 0.00 H new ATOM 0 HH2 TRP A 27 5.651 1.527 -5.884 1.00 0.00 H new ATOM 463 N SER A 28 7.439 -2.137 -14.427 1.00 0.00 N ATOM 464 CA SER A 28 7.026 -3.085 -15.446 1.00 0.00 C ATOM 465 C SER A 28 5.898 -3.962 -14.910 1.00 0.00 C ATOM 466 O SER A 28 5.780 -4.148 -13.696 1.00 0.00 O ATOM 467 CB SER A 28 8.216 -3.939 -15.886 1.00 0.00 C ATOM 468 OG SER A 28 8.824 -4.577 -14.777 1.00 0.00 O ATOM 0 H SER A 28 8.265 -2.417 -13.898 1.00 0.00 H new ATOM 0 HA SER A 28 6.659 -2.540 -16.315 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.884 -4.689 -16.604 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.948 -3.313 -16.396 1.00 0.00 H new ATOM 0 HG SER A 28 8.414 -5.456 -14.640 1.00 0.00 H new ATOM 474 N GLU A 29 5.081 -4.500 -15.812 1.00 0.00 N ATOM 475 CA GLU A 29 3.906 -5.285 -15.429 1.00 0.00 C ATOM 476 C GLU A 29 4.266 -6.428 -14.487 1.00 0.00 C ATOM 477 O GLU A 29 3.564 -6.671 -13.511 1.00 0.00 O ATOM 478 CB GLU A 29 3.199 -5.838 -16.667 1.00 0.00 C ATOM 479 CG GLU A 29 2.617 -4.761 -17.567 1.00 0.00 C ATOM 480 CD GLU A 29 1.850 -5.331 -18.740 1.00 0.00 C ATOM 481 OE1 GLU A 29 2.474 -5.609 -19.785 1.00 0.00 O ATOM 482 OE2 GLU A 29 0.619 -5.503 -18.627 1.00 0.00 O ATOM 0 H GLU A 29 5.211 -4.407 -16.819 1.00 0.00 H new ATOM 0 HA GLU A 29 3.232 -4.612 -14.899 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.906 -6.437 -17.241 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.399 -6.506 -16.350 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.955 -4.123 -16.981 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.424 -4.129 -17.938 1.00 0.00 H new ATOM 489 N ASP A 30 5.369 -7.114 -14.766 1.00 0.00 N ATOM 490 CA ASP A 30 5.787 -8.253 -13.951 1.00 0.00 C ATOM 491 C ASP A 30 6.057 -7.826 -12.509 1.00 0.00 C ATOM 492 O ASP A 30 5.560 -8.442 -11.565 1.00 0.00 O ATOM 493 CB ASP A 30 7.030 -8.930 -14.549 1.00 0.00 C ATOM 494 CG ASP A 30 8.263 -8.046 -14.526 1.00 0.00 C ATOM 495 OD1 ASP A 30 8.315 -7.074 -15.304 1.00 0.00 O ATOM 496 OD2 ASP A 30 9.184 -8.319 -13.732 1.00 0.00 O ATOM 0 H ASP A 30 5.989 -6.903 -15.548 1.00 0.00 H new ATOM 0 HA ASP A 30 4.970 -8.975 -13.947 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.238 -9.846 -13.996 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.818 -9.220 -15.578 1.00 0.00 H new ATOM 501 N TYR A 31 6.811 -6.750 -12.341 1.00 0.00 N ATOM 502 CA TYR A 31 7.170 -6.279 -11.016 1.00 0.00 C ATOM 503 C TYR A 31 5.981 -5.611 -10.341 1.00 0.00 C ATOM 504 O TYR A 31 5.707 -5.853 -9.168 1.00 0.00 O ATOM 505 CB TYR A 31 8.351 -5.306 -11.089 1.00 0.00 C ATOM 506 CG TYR A 31 8.736 -4.725 -9.744 1.00 0.00 C ATOM 507 CD1 TYR A 31 9.441 -5.481 -8.816 1.00 0.00 C ATOM 508 CD2 TYR A 31 8.383 -3.426 -9.398 1.00 0.00 C ATOM 509 CE1 TYR A 31 9.783 -4.959 -7.583 1.00 0.00 C ATOM 510 CE2 TYR A 31 8.719 -2.899 -8.166 1.00 0.00 C ATOM 511 CZ TYR A 31 9.419 -3.669 -7.262 1.00 0.00 C ATOM 512 OH TYR A 31 9.752 -3.148 -6.033 1.00 0.00 O ATOM 0 H TYR A 31 7.185 -6.188 -13.106 1.00 0.00 H new ATOM 0 HA TYR A 31 7.467 -7.142 -10.421 1.00 0.00 H new ATOM 0 HB2 TYR A 31 9.212 -5.823 -11.513 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.100 -4.492 -11.770 1.00 0.00 H new ATOM 0 HD1 TYR A 31 9.726 -6.493 -9.062 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.837 -2.818 -10.104 1.00 0.00 H new ATOM 0 HE1 TYR A 31 10.333 -5.559 -6.874 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.435 -1.888 -7.912 1.00 0.00 H new ATOM 0 HH TYR A 31 8.987 -3.227 -5.426 1.00 0.00 H new ATOM 522 N GLN A 32 5.260 -4.793 -11.092 1.00 0.00 N ATOM 523 CA GLN A 32 4.168 -4.021 -10.527 1.00 0.00 C ATOM 524 C GLN A 32 2.979 -4.913 -10.182 1.00 0.00 C ATOM 525 O GLN A 32 2.242 -4.629 -9.242 1.00 0.00 O ATOM 526 CB GLN A 32 3.746 -2.904 -11.476 1.00 0.00 C ATOM 527 CG GLN A 32 2.801 -1.909 -10.831 1.00 0.00 C ATOM 528 CD GLN A 32 2.497 -0.727 -11.719 1.00 0.00 C ATOM 529 OE1 GLN A 32 3.323 -0.306 -12.527 1.00 0.00 O ATOM 530 NE2 GLN A 32 1.307 -0.181 -11.565 1.00 0.00 N ATOM 0 H GLN A 32 5.412 -4.648 -12.090 1.00 0.00 H new ATOM 0 HA GLN A 32 4.526 -3.569 -9.602 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.634 -2.379 -11.829 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.265 -3.340 -12.351 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.869 -2.414 -10.575 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.238 -1.553 -9.898 1.00 0.00 H new ATOM 0 HE21 GLN A 32 0.654 -0.565 -10.882 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.039 0.625 -12.129 1.00 0.00 H new ATOM 539 N ARG A 33 2.791 -5.999 -10.928 1.00 0.00 N ATOM 540 CA ARG A 33 1.759 -6.970 -10.583 1.00 0.00 C ATOM 541 C ARG A 33 2.164 -7.707 -9.313 1.00 0.00 C ATOM 542 O ARG A 33 1.323 -8.038 -8.478 1.00 0.00 O ATOM 543 CB ARG A 33 1.519 -7.960 -11.723 1.00 0.00 C ATOM 544 CG ARG A 33 0.414 -8.965 -11.435 1.00 0.00 C ATOM 545 CD ARG A 33 0.131 -9.835 -12.645 1.00 0.00 C ATOM 546 NE ARG A 33 -0.896 -10.842 -12.378 1.00 0.00 N ATOM 547 CZ ARG A 33 -1.989 -11.008 -13.121 1.00 0.00 C ATOM 548 NH1 ARG A 33 -2.278 -10.149 -14.091 1.00 0.00 N ATOM 549 NH2 ARG A 33 -2.814 -12.013 -12.866 1.00 0.00 N ATOM 0 H ARG A 33 3.331 -6.226 -11.763 1.00 0.00 H new ATOM 0 HA ARG A 33 0.824 -6.437 -10.413 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.268 -7.406 -12.627 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.445 -8.499 -11.926 1.00 0.00 H new ATOM 0 HG2 ARG A 33 0.702 -9.593 -10.592 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -0.494 -8.437 -11.144 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -0.188 -9.205 -13.476 1.00 0.00 H new ATOM 0 HD3 ARG A 33 1.050 -10.331 -12.956 1.00 0.00 H new ATOM 0 HE ARG A 33 -0.767 -11.455 -11.573 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.662 -9.356 -14.271 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -3.116 -10.282 -14.657 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.612 -12.658 -12.102 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -3.652 -12.142 -13.434 1.00 0.00 H new ATOM 563 N SER A 34 3.466 -7.948 -9.170 1.00 0.00 N ATOM 564 CA SER A 34 4.004 -8.506 -7.940 1.00 0.00 C ATOM 565 C SER A 34 3.752 -7.547 -6.777 1.00 0.00 C ATOM 566 O SER A 34 3.539 -7.976 -5.644 1.00 0.00 O ATOM 567 CB SER A 34 5.502 -8.778 -8.095 1.00 0.00 C ATOM 568 OG SER A 34 5.746 -9.661 -9.178 1.00 0.00 O ATOM 0 H SER A 34 4.163 -7.765 -9.892 1.00 0.00 H new ATOM 0 HA SER A 34 3.501 -9.450 -7.729 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.031 -7.839 -8.259 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.895 -9.208 -7.174 1.00 0.00 H new ATOM 0 HG SER A 34 5.760 -9.154 -10.017 1.00 0.00 H new ATOM 574 N VAL A 35 3.780 -6.249 -7.075 1.00 0.00 N ATOM 575 CA VAL A 35 3.434 -5.216 -6.104 1.00 0.00 C ATOM 576 C VAL A 35 1.942 -5.262 -5.789 1.00 0.00 C ATOM 577 O VAL A 35 1.539 -5.230 -4.627 1.00 0.00 O ATOM 578 CB VAL A 35 3.797 -3.804 -6.629 1.00 0.00 C ATOM 579 CG1 VAL A 35 3.318 -2.722 -5.671 1.00 0.00 C ATOM 580 CG2 VAL A 35 5.295 -3.687 -6.856 1.00 0.00 C ATOM 0 H VAL A 35 4.042 -5.887 -7.992 1.00 0.00 H new ATOM 0 HA VAL A 35 4.009 -5.413 -5.199 1.00 0.00 H new ATOM 0 HB VAL A 35 3.288 -3.660 -7.582 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.587 -1.742 -6.065 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.235 -2.785 -5.563 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.789 -2.863 -4.698 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.530 -2.689 -7.225 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.820 -3.860 -5.917 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.611 -4.428 -7.590 1.00 0.00 H new ATOM 590 N TRP A 36 1.136 -5.352 -6.839 1.00 0.00 N ATOM 591 CA TRP A 36 -0.314 -5.379 -6.715 1.00 0.00 C ATOM 592 C TRP A 36 -0.769 -6.530 -5.820 1.00 0.00 C ATOM 593 O TRP A 36 -1.432 -6.311 -4.806 1.00 0.00 O ATOM 594 CB TRP A 36 -0.944 -5.491 -8.107 1.00 0.00 C ATOM 595 CG TRP A 36 -2.441 -5.503 -8.097 1.00 0.00 C ATOM 596 CD1 TRP A 36 -3.251 -6.521 -8.503 1.00 0.00 C ATOM 597 CD2 TRP A 36 -3.306 -4.448 -7.666 1.00 0.00 C ATOM 598 NE1 TRP A 36 -4.568 -6.164 -8.346 1.00 0.00 N ATOM 599 CE2 TRP A 36 -4.628 -4.899 -7.834 1.00 0.00 C ATOM 600 CE3 TRP A 36 -3.092 -3.168 -7.148 1.00 0.00 C ATOM 601 CZ2 TRP A 36 -5.729 -4.117 -7.506 1.00 0.00 C ATOM 602 CZ3 TRP A 36 -4.187 -2.392 -6.824 1.00 0.00 C ATOM 603 CH2 TRP A 36 -5.492 -2.869 -7.003 1.00 0.00 C ATOM 0 H TRP A 36 1.470 -5.408 -7.801 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.644 -4.451 -6.247 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.601 -4.656 -8.718 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.586 -6.403 -8.584 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -2.908 -7.469 -8.891 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -5.372 -6.749 -8.575 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.090 -2.793 -7.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.736 -4.483 -7.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.035 -1.400 -6.426 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.327 -2.238 -6.738 1.00 0.00 H new ATOM 614 N THR A 37 -0.387 -7.750 -6.179 1.00 0.00 N ATOM 615 CA THR A 37 -0.767 -8.922 -5.402 1.00 0.00 C ATOM 616 C THR A 37 -0.088 -8.921 -4.028 1.00 0.00 C ATOM 617 O THR A 37 -0.598 -9.502 -3.066 1.00 0.00 O ATOM 618 CB THR A 37 -0.439 -10.217 -6.172 1.00 0.00 C ATOM 619 OG1 THR A 37 -1.093 -10.177 -7.444 1.00 0.00 O ATOM 620 CG2 THR A 37 -0.896 -11.455 -5.410 1.00 0.00 C ATOM 0 H THR A 37 0.183 -7.952 -7.000 1.00 0.00 H new ATOM 0 HA THR A 37 -1.844 -8.881 -5.242 1.00 0.00 H new ATOM 0 HB THR A 37 0.642 -10.279 -6.295 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.993 -9.803 -7.338 1.00 0.00 H new ATOM 0 HG21 THR A 37 -0.648 -12.348 -5.984 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.393 -11.494 -4.444 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.974 -11.410 -5.257 1.00 0.00 H new ATOM 628 N ARG A 38 1.051 -8.241 -3.930 1.00 0.00 N ATOM 629 CA ARG A 38 1.721 -8.061 -2.650 1.00 0.00 C ATOM 630 C ARG A 38 0.805 -7.272 -1.724 1.00 0.00 C ATOM 631 O ARG A 38 0.597 -7.636 -0.565 1.00 0.00 O ATOM 632 CB ARG A 38 3.043 -7.311 -2.838 1.00 0.00 C ATOM 633 CG ARG A 38 4.121 -7.686 -1.836 1.00 0.00 C ATOM 634 CD ARG A 38 4.510 -9.152 -1.960 1.00 0.00 C ATOM 635 NE ARG A 38 4.786 -9.538 -3.345 1.00 0.00 N ATOM 636 CZ ARG A 38 5.659 -10.483 -3.697 1.00 0.00 C ATOM 637 NH1 ARG A 38 6.389 -11.097 -2.774 1.00 0.00 N ATOM 638 NH2 ARG A 38 5.795 -10.816 -4.974 1.00 0.00 N ATOM 0 H ARG A 38 1.527 -7.807 -4.721 1.00 0.00 H new ATOM 0 HA ARG A 38 1.940 -9.036 -2.216 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.416 -7.502 -3.844 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.853 -6.240 -2.766 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.000 -7.060 -1.994 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.765 -7.487 -0.825 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.392 -9.345 -1.349 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.706 -9.774 -1.565 1.00 0.00 H new ATOM 0 HE ARG A 38 4.279 -9.054 -4.087 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.284 -10.847 -1.791 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.055 -11.819 -3.048 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.232 -10.349 -5.685 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.462 -11.539 -5.244 1.00 0.00 H new ATOM 652 N LEU A 39 0.242 -6.201 -2.267 1.00 0.00 N ATOM 653 CA LEU A 39 -0.714 -5.384 -1.543 1.00 0.00 C ATOM 654 C LEU A 39 -1.956 -6.205 -1.205 1.00 0.00 C ATOM 655 O LEU A 39 -2.410 -6.206 -0.064 1.00 0.00 O ATOM 656 CB LEU A 39 -1.103 -4.158 -2.372 1.00 0.00 C ATOM 657 CG LEU A 39 0.054 -3.236 -2.765 1.00 0.00 C ATOM 658 CD1 LEU A 39 -0.450 -2.100 -3.643 1.00 0.00 C ATOM 659 CD2 LEU A 39 0.750 -2.684 -1.528 1.00 0.00 C ATOM 0 H LEU A 39 0.435 -5.878 -3.215 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.251 -5.045 -0.616 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.599 -4.498 -3.281 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.833 -3.577 -1.809 1.00 0.00 H new ATOM 0 HG LEU A 39 0.780 -3.820 -3.332 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.384 -1.453 -3.915 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.900 -2.511 -4.547 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.196 -1.522 -3.097 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.569 -2.032 -1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.036 -2.116 -0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.144 -3.508 -0.934 1.00 0.00 H new ATOM 671 N GLU A 40 -2.479 -6.923 -2.203 1.00 0.00 N ATOM 672 CA GLU A 40 -3.677 -7.754 -2.038 1.00 0.00 C ATOM 673 C GLU A 40 -3.533 -8.737 -0.876 1.00 0.00 C ATOM 674 O GLU A 40 -4.497 -9.016 -0.155 1.00 0.00 O ATOM 675 CB GLU A 40 -3.959 -8.552 -3.317 1.00 0.00 C ATOM 676 CG GLU A 40 -4.233 -7.704 -4.549 1.00 0.00 C ATOM 677 CD GLU A 40 -4.596 -8.550 -5.754 1.00 0.00 C ATOM 678 OE1 GLU A 40 -3.680 -8.986 -6.490 1.00 0.00 O ATOM 679 OE2 GLU A 40 -5.804 -8.792 -5.972 1.00 0.00 O ATOM 0 H GLU A 40 -2.087 -6.945 -3.144 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.503 -7.075 -1.826 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.106 -9.199 -3.521 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.817 -9.201 -3.142 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.045 -7.009 -4.337 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.352 -7.105 -4.779 1.00 0.00 H new ATOM 686 N THR A 41 -2.330 -9.254 -0.698 1.00 0.00 N ATOM 687 CA THR A 41 -2.089 -10.309 0.269 1.00 0.00 C ATOM 688 C THR A 41 -1.836 -9.767 1.680 1.00 0.00 C ATOM 689 O THR A 41 -2.306 -10.342 2.662 1.00 0.00 O ATOM 690 CB THR A 41 -0.894 -11.179 -0.173 1.00 0.00 C ATOM 691 OG1 THR A 41 -1.088 -11.613 -1.527 1.00 0.00 O ATOM 692 CG2 THR A 41 -0.734 -12.396 0.727 1.00 0.00 C ATOM 0 H THR A 41 -1.501 -8.958 -1.214 1.00 0.00 H new ATOM 0 HA THR A 41 -2.995 -10.914 0.307 1.00 0.00 H new ATOM 0 HB THR A 41 0.010 -10.574 -0.099 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.697 -10.956 -2.140 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.116 -12.989 0.390 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.565 -12.070 1.753 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.639 -13.002 0.684 1.00 0.00 H new ATOM 700 N TYR A 42 -1.111 -8.659 1.787 1.00 0.00 N ATOM 701 CA TYR A 42 -0.663 -8.190 3.095 1.00 0.00 C ATOM 702 C TYR A 42 -1.368 -6.913 3.549 1.00 0.00 C ATOM 703 O TYR A 42 -1.716 -6.773 4.720 1.00 0.00 O ATOM 704 CB TYR A 42 0.850 -7.960 3.082 1.00 0.00 C ATOM 705 CG TYR A 42 1.653 -9.179 2.682 1.00 0.00 C ATOM 706 CD1 TYR A 42 1.739 -10.287 3.516 1.00 0.00 C ATOM 707 CD2 TYR A 42 2.329 -9.218 1.469 1.00 0.00 C ATOM 708 CE1 TYR A 42 2.474 -11.399 3.151 1.00 0.00 C ATOM 709 CE2 TYR A 42 3.064 -10.325 1.099 1.00 0.00 C ATOM 710 CZ TYR A 42 3.134 -11.412 1.940 1.00 0.00 C ATOM 711 OH TYR A 42 3.863 -12.515 1.567 1.00 0.00 O ATOM 0 H TYR A 42 -0.824 -8.077 1.000 1.00 0.00 H new ATOM 0 HA TYR A 42 -0.922 -8.972 3.809 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.078 -7.146 2.394 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.167 -7.638 4.074 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.223 -10.279 4.465 1.00 0.00 H new ATOM 0 HD2 TYR A 42 2.278 -8.368 0.805 1.00 0.00 H new ATOM 0 HE1 TYR A 42 2.531 -12.253 3.810 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.583 -10.339 0.152 1.00 0.00 H new ATOM 0 HH TYR A 42 4.263 -12.360 0.686 1.00 0.00 H new ATOM 721 N LEU A 43 -1.583 -5.987 2.627 1.00 0.00 N ATOM 722 CA LEU A 43 -2.042 -4.650 2.989 1.00 0.00 C ATOM 723 C LEU A 43 -3.557 -4.504 2.812 1.00 0.00 C ATOM 724 O LEU A 43 -4.248 -3.968 3.680 1.00 0.00 O ATOM 725 CB LEU A 43 -1.297 -3.615 2.138 1.00 0.00 C ATOM 726 CG LEU A 43 -1.461 -2.164 2.580 1.00 0.00 C ATOM 727 CD1 LEU A 43 -0.920 -1.971 3.987 1.00 0.00 C ATOM 728 CD2 LEU A 43 -0.758 -1.230 1.608 1.00 0.00 C ATOM 0 H LEU A 43 -1.449 -6.133 1.627 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.826 -4.482 4.044 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.235 -3.861 2.144 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.639 -3.704 1.107 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.524 -1.923 2.584 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.045 -0.930 4.285 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.465 -2.615 4.678 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.139 -2.230 4.008 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.885 -0.199 1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.304 -1.472 1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.189 -1.348 0.614 1.00 0.00 H new ATOM 740 N PHE A 44 -4.064 -5.014 1.697 1.00 0.00 N ATOM 741 CA PHE A 44 -5.489 -4.924 1.359 1.00 0.00 C ATOM 742 C PHE A 44 -6.437 -5.575 2.390 1.00 0.00 C ATOM 743 O PHE A 44 -7.513 -5.041 2.627 1.00 0.00 O ATOM 744 CB PHE A 44 -5.752 -5.545 -0.015 1.00 0.00 C ATOM 745 CG PHE A 44 -5.402 -4.660 -1.177 1.00 0.00 C ATOM 746 CD1 PHE A 44 -4.592 -3.548 -1.015 1.00 0.00 C ATOM 747 CD2 PHE A 44 -5.884 -4.950 -2.442 1.00 0.00 C ATOM 748 CE1 PHE A 44 -4.272 -2.744 -2.089 1.00 0.00 C ATOM 749 CE2 PHE A 44 -5.568 -4.150 -3.522 1.00 0.00 C ATOM 750 CZ PHE A 44 -4.760 -3.047 -3.344 1.00 0.00 C ATOM 0 H PHE A 44 -3.504 -5.502 0.998 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.712 -3.857 1.359 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.183 -6.471 -0.096 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.807 -5.812 -0.083 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.206 -3.308 -0.035 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.516 -5.814 -2.586 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.641 -1.879 -1.948 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.952 -4.387 -4.503 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.509 -2.420 -4.187 1.00 0.00 H new ATOM 760 N PRO A 45 -6.097 -6.730 3.006 1.00 0.00 N ATOM 761 CA PRO A 45 -7.036 -7.444 3.888 1.00 0.00 C ATOM 762 C PRO A 45 -7.509 -6.606 5.074 1.00 0.00 C ATOM 763 O PRO A 45 -8.671 -6.679 5.475 1.00 0.00 O ATOM 764 CB PRO A 45 -6.227 -8.645 4.390 1.00 0.00 C ATOM 765 CG PRO A 45 -5.123 -8.808 3.409 1.00 0.00 C ATOM 766 CD PRO A 45 -4.806 -7.428 2.919 1.00 0.00 C ATOM 0 HA PRO A 45 -7.946 -7.710 3.350 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.839 -8.467 5.393 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.844 -9.542 4.441 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.251 -9.268 3.874 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.424 -9.456 2.586 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.047 -6.947 3.536 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -4.425 -7.442 1.898 1.00 0.00 H new ATOM 774 N ASP A 46 -6.614 -5.799 5.620 1.00 0.00 N ATOM 775 CA ASP A 46 -6.891 -5.076 6.856 1.00 0.00 C ATOM 776 C ASP A 46 -7.635 -3.766 6.598 1.00 0.00 C ATOM 777 O ASP A 46 -8.623 -3.457 7.265 1.00 0.00 O ATOM 778 CB ASP A 46 -5.583 -4.788 7.601 1.00 0.00 C ATOM 779 CG ASP A 46 -4.849 -6.051 8.011 1.00 0.00 C ATOM 780 OD1 ASP A 46 -4.126 -6.630 7.169 1.00 0.00 O ATOM 781 OD2 ASP A 46 -4.983 -6.475 9.178 1.00 0.00 O ATOM 0 H ASP A 46 -5.688 -5.626 5.228 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.533 -5.710 7.468 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -4.933 -4.186 6.966 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.799 -4.194 8.489 1.00 0.00 H new ATOM 786 N ILE A 47 -7.165 -3.005 5.622 1.00 0.00 N ATOM 787 CA ILE A 47 -7.680 -1.659 5.370 1.00 0.00 C ATOM 788 C ILE A 47 -8.542 -1.595 4.111 1.00 0.00 C ATOM 789 O ILE A 47 -9.136 -0.562 3.810 1.00 0.00 O ATOM 790 CB ILE A 47 -6.513 -0.672 5.200 1.00 0.00 C ATOM 791 CG1 ILE A 47 -5.588 -1.170 4.086 1.00 0.00 C ATOM 792 CG2 ILE A 47 -5.762 -0.495 6.512 1.00 0.00 C ATOM 793 CD1 ILE A 47 -4.275 -0.436 3.986 1.00 0.00 C ATOM 0 H ILE A 47 -6.423 -3.295 4.985 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.296 -1.393 6.229 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.902 0.306 4.918 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.386 -2.229 4.246 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.110 -1.085 3.133 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.941 0.207 6.369 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.442 -0.108 7.271 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.365 -1.457 6.837 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.685 -0.855 3.171 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.462 0.620 3.792 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.727 -0.542 4.922 1.00 0.00 H new ATOM 805 N GLY A 48 -8.607 -2.702 3.390 1.00 0.00 N ATOM 806 CA GLY A 48 -9.234 -2.713 2.081 1.00 0.00 C ATOM 807 C GLY A 48 -10.711 -2.391 2.103 1.00 0.00 C ATOM 808 O GLY A 48 -11.196 -1.650 1.248 1.00 0.00 O ATOM 0 H GLY A 48 -8.234 -3.603 3.689 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.725 -1.993 1.440 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.094 -3.696 1.631 1.00 0.00 H new ATOM 812 N ASN A 49 -11.430 -2.944 3.066 1.00 0.00 N ATOM 813 CA ASN A 49 -12.871 -2.740 3.144 1.00 0.00 C ATOM 814 C ASN A 49 -13.202 -1.538 4.020 1.00 0.00 C ATOM 815 O ASN A 49 -14.372 -1.246 4.279 1.00 0.00 O ATOM 816 CB ASN A 49 -13.576 -3.990 3.681 1.00 0.00 C ATOM 817 CG ASN A 49 -13.262 -4.277 5.139 1.00 0.00 C ATOM 818 OD1 ASN A 49 -12.163 -4.003 5.624 1.00 0.00 O ATOM 819 ND2 ASN A 49 -14.237 -4.820 5.850 1.00 0.00 N ATOM 0 H ASN A 49 -11.044 -3.535 3.802 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.232 -2.547 2.134 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -14.653 -3.869 3.565 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -13.285 -4.850 3.078 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -14.093 -5.027 6.838 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -15.132 -5.031 5.410 1.00 0.00 H new ATOM 826 N LYS A 50 -12.172 -0.840 4.470 1.00 0.00 N ATOM 827 CA LYS A 50 -12.363 0.346 5.280 1.00 0.00 C ATOM 828 C LYS A 50 -12.422 1.573 4.381 1.00 0.00 C ATOM 829 O LYS A 50 -11.837 1.594 3.298 1.00 0.00 O ATOM 830 CB LYS A 50 -11.248 0.481 6.323 1.00 0.00 C ATOM 831 CG LYS A 50 -11.483 1.590 7.343 1.00 0.00 C ATOM 832 CD LYS A 50 -12.800 1.407 8.086 1.00 0.00 C ATOM 833 CE LYS A 50 -12.999 2.480 9.148 1.00 0.00 C ATOM 834 NZ LYS A 50 -14.321 2.368 9.820 1.00 0.00 N ATOM 0 H LYS A 50 -11.197 -1.076 4.287 1.00 0.00 H new ATOM 0 HA LYS A 50 -13.306 0.259 5.819 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.141 -0.467 6.850 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.305 0.668 5.809 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.661 1.605 8.059 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.483 2.555 6.837 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.626 1.440 7.376 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.820 0.423 8.554 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.207 2.403 9.893 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -12.909 3.464 8.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.412 3.118 10.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.079 2.468 9.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.398 1.439 10.282 1.00 0.00 H new ATOM 848 N ASP A 51 -13.132 2.589 4.842 1.00 0.00 N ATOM 849 CA ASP A 51 -13.398 3.785 4.050 1.00 0.00 C ATOM 850 C ASP A 51 -12.175 4.696 3.947 1.00 0.00 C ATOM 851 O ASP A 51 -12.276 5.810 3.426 1.00 0.00 O ATOM 852 CB ASP A 51 -14.567 4.547 4.667 1.00 0.00 C ATOM 853 CG ASP A 51 -15.784 3.665 4.852 1.00 0.00 C ATOM 854 OD1 ASP A 51 -15.835 2.919 5.854 1.00 0.00 O ATOM 855 OD2 ASP A 51 -16.692 3.707 3.998 1.00 0.00 O ATOM 0 H ASP A 51 -13.542 2.611 5.776 1.00 0.00 H new ATOM 0 HA ASP A 51 -13.647 3.468 3.037 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -14.265 4.955 5.631 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -14.825 5.393 4.030 1.00 0.00 H new ATOM 860 N ILE A 52 -11.037 4.226 4.466 1.00 0.00 N ATOM 861 CA ILE A 52 -9.746 4.918 4.340 1.00 0.00 C ATOM 862 C ILE A 52 -9.649 6.173 5.223 1.00 0.00 C ATOM 863 O ILE A 52 -8.668 6.347 5.944 1.00 0.00 O ATOM 864 CB ILE A 52 -9.433 5.250 2.848 1.00 0.00 C ATOM 865 CG1 ILE A 52 -8.211 4.459 2.366 1.00 0.00 C ATOM 866 CG2 ILE A 52 -9.222 6.745 2.617 1.00 0.00 C ATOM 867 CD1 ILE A 52 -6.895 4.957 2.931 1.00 0.00 C ATOM 0 H ILE A 52 -10.983 3.351 4.988 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.986 4.228 4.706 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.305 4.953 2.265 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -8.338 3.411 2.638 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.168 4.503 1.278 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -9.007 6.924 1.563 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -10.124 7.288 2.901 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -8.384 7.092 3.222 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.079 4.347 2.544 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.743 5.996 2.638 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.916 4.887 4.019 1.00 0.00 H new ATOM 879 N ALA A 53 -10.673 7.021 5.194 1.00 0.00 N ATOM 880 CA ALA A 53 -10.632 8.309 5.883 1.00 0.00 C ATOM 881 C ALA A 53 -10.531 8.150 7.397 1.00 0.00 C ATOM 882 O ALA A 53 -10.031 9.033 8.093 1.00 0.00 O ATOM 883 CB ALA A 53 -11.860 9.128 5.523 1.00 0.00 C ATOM 0 H ALA A 53 -11.546 6.839 4.698 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.734 8.830 5.552 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.822 10.087 6.040 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.882 9.297 4.446 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.758 8.588 5.824 1.00 0.00 H new ATOM 889 N GLU A 54 -10.998 7.017 7.901 1.00 0.00 N ATOM 890 CA GLU A 54 -11.044 6.785 9.336 1.00 0.00 C ATOM 891 C GLU A 54 -9.886 5.905 9.797 1.00 0.00 C ATOM 892 O GLU A 54 -9.839 5.479 10.952 1.00 0.00 O ATOM 893 CB GLU A 54 -12.376 6.140 9.708 1.00 0.00 C ATOM 894 CG GLU A 54 -13.576 6.961 9.268 1.00 0.00 C ATOM 895 CD GLU A 54 -14.891 6.277 9.555 1.00 0.00 C ATOM 896 OE1 GLU A 54 -15.358 5.503 8.694 1.00 0.00 O ATOM 897 OE2 GLU A 54 -15.466 6.520 10.636 1.00 0.00 O ATOM 0 H GLU A 54 -11.350 6.244 7.337 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.950 7.747 9.841 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.434 5.151 9.254 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.416 5.998 10.788 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.556 7.926 9.775 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.501 7.161 8.199 1.00 0.00 H new ATOM 904 N LEU A 55 -8.950 5.639 8.896 1.00 0.00 N ATOM 905 CA LEU A 55 -7.786 4.828 9.232 1.00 0.00 C ATOM 906 C LEU A 55 -6.772 5.654 10.009 1.00 0.00 C ATOM 907 O LEU A 55 -6.452 6.782 9.631 1.00 0.00 O ATOM 908 CB LEU A 55 -7.141 4.251 7.971 1.00 0.00 C ATOM 909 CG LEU A 55 -7.938 3.146 7.277 1.00 0.00 C ATOM 910 CD1 LEU A 55 -7.295 2.776 5.952 1.00 0.00 C ATOM 911 CD2 LEU A 55 -8.036 1.919 8.171 1.00 0.00 C ATOM 0 H LEU A 55 -8.973 5.971 7.932 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.119 3.999 9.857 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.981 5.062 7.261 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.158 3.858 8.232 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.943 3.520 7.084 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.876 1.988 5.473 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.267 3.652 5.304 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.279 2.422 6.127 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.606 1.142 7.662 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.035 1.548 8.391 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.537 2.186 9.102 1.00 0.00 H new ATOM 923 N ASP A 56 -6.292 5.098 11.106 1.00 0.00 N ATOM 924 CA ASP A 56 -5.289 5.758 11.927 1.00 0.00 C ATOM 925 C ASP A 56 -3.913 5.189 11.613 1.00 0.00 C ATOM 926 O ASP A 56 -3.803 4.128 10.995 1.00 0.00 O ATOM 927 CB ASP A 56 -5.621 5.569 13.414 1.00 0.00 C ATOM 928 CG ASP A 56 -4.638 6.265 14.338 1.00 0.00 C ATOM 929 OD1 ASP A 56 -4.809 7.474 14.591 1.00 0.00 O ATOM 930 OD2 ASP A 56 -3.695 5.603 14.821 1.00 0.00 O ATOM 0 H ASP A 56 -6.582 4.184 11.453 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.287 6.825 11.705 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.624 5.950 13.607 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.635 4.504 13.644 1.00 0.00 H new ATOM 935 N THR A 57 -2.870 5.894 12.025 1.00 0.00 N ATOM 936 CA THR A 57 -1.509 5.422 11.852 1.00 0.00 C ATOM 937 C THR A 57 -1.340 4.034 12.474 1.00 0.00 C ATOM 938 O THR A 57 -0.661 3.172 11.918 1.00 0.00 O ATOM 939 CB THR A 57 -0.510 6.400 12.496 1.00 0.00 C ATOM 940 OG1 THR A 57 -0.825 7.747 12.108 1.00 0.00 O ATOM 941 CG2 THR A 57 0.911 6.069 12.078 1.00 0.00 C ATOM 0 H THR A 57 -2.944 6.802 12.485 1.00 0.00 H new ATOM 0 HA THR A 57 -1.307 5.361 10.783 1.00 0.00 H new ATOM 0 HB THR A 57 -0.586 6.306 13.579 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.187 8.365 12.522 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.601 6.772 12.544 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.157 5.056 12.395 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.997 6.141 10.994 1.00 0.00 H new ATOM 949 N GLY A 58 -2.004 3.818 13.608 1.00 0.00 N ATOM 950 CA GLY A 58 -1.924 2.543 14.293 1.00 0.00 C ATOM 951 C GLY A 58 -2.539 1.417 13.489 1.00 0.00 C ATOM 952 O GLY A 58 -2.036 0.291 13.504 1.00 0.00 O ATOM 0 H GLY A 58 -2.599 4.510 14.065 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.880 2.310 14.500 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.431 2.618 15.255 1.00 0.00 H new ATOM 956 N ASP A 59 -3.614 1.725 12.766 1.00 0.00 N ATOM 957 CA ASP A 59 -4.302 0.727 11.952 1.00 0.00 C ATOM 958 C ASP A 59 -3.435 0.328 10.772 1.00 0.00 C ATOM 959 O ASP A 59 -3.518 -0.789 10.280 1.00 0.00 O ATOM 960 CB ASP A 59 -5.643 1.252 11.432 1.00 0.00 C ATOM 961 CG ASP A 59 -6.588 1.668 12.538 1.00 0.00 C ATOM 962 OD1 ASP A 59 -6.853 0.852 13.446 1.00 0.00 O ATOM 963 OD2 ASP A 59 -7.061 2.820 12.507 1.00 0.00 O ATOM 0 H ASP A 59 -4.027 2.657 12.728 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.491 -0.139 12.587 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.463 2.104 10.777 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.119 0.480 10.827 1.00 0.00 H new ATOM 968 N LEU A 60 -2.610 1.260 10.321 1.00 0.00 N ATOM 969 CA LEU A 60 -1.673 1.005 9.237 1.00 0.00 C ATOM 970 C LEU A 60 -0.454 0.254 9.759 1.00 0.00 C ATOM 971 O LEU A 60 0.147 -0.565 9.055 1.00 0.00 O ATOM 972 CB LEU A 60 -1.249 2.329 8.600 1.00 0.00 C ATOM 973 CG LEU A 60 -2.377 3.104 7.919 1.00 0.00 C ATOM 974 CD1 LEU A 60 -1.946 4.531 7.628 1.00 0.00 C ATOM 975 CD2 LEU A 60 -2.791 2.407 6.633 1.00 0.00 C ATOM 0 H LEU A 60 -2.570 2.209 10.693 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.161 0.388 8.482 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.806 2.961 9.370 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.469 2.129 7.865 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.232 3.134 8.594 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.763 5.066 7.143 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.688 5.031 8.562 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.077 4.522 6.970 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.595 2.969 6.157 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.937 2.353 5.957 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.138 1.399 6.861 1.00 0.00 H new ATOM 987 N LEU A 61 -0.100 0.531 11.006 1.00 0.00 N ATOM 988 CA LEU A 61 1.015 -0.142 11.645 1.00 0.00 C ATOM 989 C LEU A 61 0.728 -1.626 11.812 1.00 0.00 C ATOM 990 O LEU A 61 1.645 -2.431 11.768 1.00 0.00 O ATOM 991 CB LEU A 61 1.335 0.484 13.005 1.00 0.00 C ATOM 992 CG LEU A 61 1.877 1.914 12.960 1.00 0.00 C ATOM 993 CD1 LEU A 61 2.187 2.407 14.364 1.00 0.00 C ATOM 994 CD2 LEU A 61 3.117 1.990 12.082 1.00 0.00 C ATOM 0 H LEU A 61 -0.571 1.219 11.594 1.00 0.00 H new ATOM 0 HA LEU A 61 1.884 -0.022 10.998 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.429 0.476 13.611 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.064 -0.147 13.513 1.00 0.00 H new ATOM 0 HG LEU A 61 1.112 2.559 12.527 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.572 3.426 14.315 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.277 2.391 14.964 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.935 1.758 14.821 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.487 3.015 12.063 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.888 1.333 12.484 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.865 1.676 11.069 1.00 0.00 H new ATOM 1006 N VAL A 62 -0.543 -1.985 11.991 1.00 0.00 N ATOM 1007 CA VAL A 62 -0.921 -3.386 12.173 1.00 0.00 C ATOM 1008 C VAL A 62 -0.429 -4.261 11.006 1.00 0.00 C ATOM 1009 O VAL A 62 0.368 -5.176 11.224 1.00 0.00 O ATOM 1010 CB VAL A 62 -2.449 -3.567 12.361 1.00 0.00 C ATOM 1011 CG1 VAL A 62 -2.788 -5.026 12.612 1.00 0.00 C ATOM 1012 CG2 VAL A 62 -2.961 -2.701 13.500 1.00 0.00 C ATOM 0 H VAL A 62 -1.324 -1.329 12.014 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.430 -3.714 13.089 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.942 -3.250 11.442 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.865 -5.132 12.741 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.464 -5.626 11.762 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.279 -5.368 13.513 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.036 -2.845 13.612 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.458 -2.982 14.425 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.757 -1.653 13.280 1.00 0.00 H new ATOM 1022 N PRO A 63 -0.873 -4.001 9.752 1.00 0.00 N ATOM 1023 CA PRO A 63 -0.411 -4.767 8.594 1.00 0.00 C ATOM 1024 C PRO A 63 1.101 -4.677 8.402 1.00 0.00 C ATOM 1025 O PRO A 63 1.751 -5.677 8.094 1.00 0.00 O ATOM 1026 CB PRO A 63 -1.146 -4.146 7.400 1.00 0.00 C ATOM 1027 CG PRO A 63 -1.661 -2.836 7.886 1.00 0.00 C ATOM 1028 CD PRO A 63 -1.867 -2.988 9.365 1.00 0.00 C ATOM 0 HA PRO A 63 -0.621 -5.830 8.716 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.474 -4.013 6.552 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.961 -4.788 7.064 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.952 -2.036 7.672 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.595 -2.576 7.388 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.706 -2.047 9.891 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.881 -3.313 9.597 1.00 0.00 H new ATOM 1036 N ILE A 64 1.667 -3.490 8.596 1.00 0.00 N ATOM 1037 CA ILE A 64 3.111 -3.322 8.467 1.00 0.00 C ATOM 1038 C ILE A 64 3.850 -4.182 9.497 1.00 0.00 C ATOM 1039 O ILE A 64 4.826 -4.861 9.177 1.00 0.00 O ATOM 1040 CB ILE A 64 3.523 -1.844 8.636 1.00 0.00 C ATOM 1041 CG1 ILE A 64 2.871 -0.992 7.543 1.00 0.00 C ATOM 1042 CG2 ILE A 64 5.041 -1.705 8.597 1.00 0.00 C ATOM 1043 CD1 ILE A 64 3.136 0.493 7.683 1.00 0.00 C ATOM 0 H ILE A 64 1.157 -2.641 8.840 1.00 0.00 H new ATOM 0 HA ILE A 64 3.388 -3.646 7.464 1.00 0.00 H new ATOM 0 HB ILE A 64 3.177 -1.489 9.607 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.234 -1.326 6.571 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.794 -1.162 7.557 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.314 -0.657 8.718 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.481 -2.290 9.405 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.415 -2.069 7.640 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.642 1.029 6.873 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.748 0.843 8.639 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.209 0.677 7.638 1.00 0.00 H new ATOM 1055 N LYS A 65 3.347 -4.165 10.722 1.00 0.00 N ATOM 1056 CA LYS A 65 3.951 -4.889 11.833 1.00 0.00 C ATOM 1057 C LYS A 65 3.875 -6.399 11.632 1.00 0.00 C ATOM 1058 O LYS A 65 4.819 -7.119 11.949 1.00 0.00 O ATOM 1059 CB LYS A 65 3.247 -4.497 13.129 1.00 0.00 C ATOM 1060 CG LYS A 65 3.726 -5.241 14.359 1.00 0.00 C ATOM 1061 CD LYS A 65 2.907 -4.849 15.576 1.00 0.00 C ATOM 1062 CE LYS A 65 1.431 -5.143 15.365 1.00 0.00 C ATOM 1063 NZ LYS A 65 0.611 -4.744 16.537 1.00 0.00 N ATOM 0 H LYS A 65 2.506 -3.647 10.976 1.00 0.00 H new ATOM 0 HA LYS A 65 5.006 -4.620 11.884 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.383 -3.428 13.292 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.177 -4.668 13.011 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.649 -6.316 14.193 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.779 -5.021 14.536 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.267 -5.392 16.450 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.043 -3.787 15.782 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.079 -4.614 14.479 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.297 -6.208 15.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.389 -4.962 16.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.929 -5.267 17.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.718 -3.723 16.704 1.00 0.00 H new ATOM 1077 N LYS A 66 2.755 -6.887 11.110 1.00 0.00 N ATOM 1078 CA LYS A 66 2.610 -8.321 10.884 1.00 0.00 C ATOM 1079 C LYS A 66 3.489 -8.783 9.723 1.00 0.00 C ATOM 1080 O LYS A 66 3.800 -9.965 9.609 1.00 0.00 O ATOM 1081 CB LYS A 66 1.136 -8.728 10.684 1.00 0.00 C ATOM 1082 CG LYS A 66 0.411 -8.023 9.548 1.00 0.00 C ATOM 1083 CD LYS A 66 0.587 -8.730 8.211 1.00 0.00 C ATOM 1084 CE LYS A 66 -0.204 -8.037 7.110 1.00 0.00 C ATOM 1085 NZ LYS A 66 -1.675 -8.110 7.334 1.00 0.00 N ATOM 0 H LYS A 66 1.948 -6.324 10.840 1.00 0.00 H new ATOM 0 HA LYS A 66 2.954 -8.831 11.784 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.095 -9.803 10.507 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.595 -8.537 11.611 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.651 -7.960 9.784 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.780 -7.001 9.465 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.644 -8.751 7.945 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.260 -9.766 8.299 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.100 -6.992 7.051 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.038 -8.494 6.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.173 -7.778 6.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.947 -9.094 7.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.933 -7.509 8.143 1.00 0.00 H new ATOM 1099 N ILE A 67 3.894 -7.845 8.867 1.00 0.00 N ATOM 1100 CA ILE A 67 4.887 -8.142 7.837 1.00 0.00 C ATOM 1101 C ILE A 67 6.285 -8.128 8.455 1.00 0.00 C ATOM 1102 O ILE A 67 7.134 -8.960 8.130 1.00 0.00 O ATOM 1103 CB ILE A 67 4.828 -7.137 6.667 1.00 0.00 C ATOM 1104 CG1 ILE A 67 3.452 -7.182 6.001 1.00 0.00 C ATOM 1105 CG2 ILE A 67 5.922 -7.437 5.647 1.00 0.00 C ATOM 1106 CD1 ILE A 67 3.260 -6.130 4.930 1.00 0.00 C ATOM 0 H ILE A 67 3.554 -6.883 8.866 1.00 0.00 H new ATOM 0 HA ILE A 67 4.662 -9.130 7.435 1.00 0.00 H new ATOM 0 HB ILE A 67 4.993 -6.135 7.062 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.303 -8.168 5.560 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.684 -7.055 6.764 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.864 -6.718 4.830 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.898 -7.363 6.127 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.787 -8.445 5.254 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.262 -6.224 4.503 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.376 -5.139 5.369 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.004 -6.269 4.146 1.00 0.00 H new ATOM 1118 N GLU A 68 6.503 -7.182 9.359 1.00 0.00 N ATOM 1119 CA GLU A 68 7.735 -7.116 10.133 1.00 0.00 C ATOM 1120 C GLU A 68 7.942 -8.423 10.896 1.00 0.00 C ATOM 1121 O GLU A 68 8.994 -9.057 10.800 1.00 0.00 O ATOM 1122 CB GLU A 68 7.670 -5.934 11.105 1.00 0.00 C ATOM 1123 CG GLU A 68 8.844 -5.858 12.060 1.00 0.00 C ATOM 1124 CD GLU A 68 8.736 -4.701 13.030 1.00 0.00 C ATOM 1125 OE1 GLU A 68 7.900 -4.770 13.958 1.00 0.00 O ATOM 1126 OE2 GLU A 68 9.499 -3.727 12.881 1.00 0.00 O ATOM 0 H GLU A 68 5.835 -6.443 9.575 1.00 0.00 H new ATOM 0 HA GLU A 68 8.578 -6.971 9.458 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.620 -5.008 10.532 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.748 -6.002 11.683 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.912 -6.791 12.620 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.767 -5.762 11.488 1.00 0.00 H new ATOM 1133 N LYS A 69 6.910 -8.832 11.626 1.00 0.00 N ATOM 1134 CA LYS A 69 6.925 -10.083 12.375 1.00 0.00 C ATOM 1135 C LYS A 69 7.041 -11.282 11.434 1.00 0.00 C ATOM 1136 O LYS A 69 7.501 -12.357 11.828 1.00 0.00 O ATOM 1137 CB LYS A 69 5.661 -10.184 13.249 1.00 0.00 C ATOM 1138 CG LYS A 69 5.473 -11.522 13.954 1.00 0.00 C ATOM 1139 CD LYS A 69 4.596 -12.465 13.140 1.00 0.00 C ATOM 1140 CE LYS A 69 4.528 -13.851 13.761 1.00 0.00 C ATOM 1141 NZ LYS A 69 5.833 -14.560 13.693 1.00 0.00 N ATOM 0 H LYS A 69 6.041 -8.306 11.715 1.00 0.00 H new ATOM 0 HA LYS A 69 7.800 -10.092 13.026 1.00 0.00 H new ATOM 0 HB2 LYS A 69 5.693 -9.395 14.001 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.789 -9.994 12.624 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.445 -11.984 14.124 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.022 -11.358 14.933 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.590 -12.051 13.064 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.987 -12.540 12.125 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.216 -13.766 14.802 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.769 -14.441 13.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.702 -15.486 13.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 6.507 -13.994 13.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 6.205 -14.696 14.655 1.00 0.00 H new ATOM 1155 N LEU A 70 6.648 -11.090 10.181 1.00 0.00 N ATOM 1156 CA LEU A 70 6.714 -12.154 9.192 1.00 0.00 C ATOM 1157 C LEU A 70 8.173 -12.437 8.832 1.00 0.00 C ATOM 1158 O LEU A 70 8.495 -13.465 8.232 1.00 0.00 O ATOM 1159 CB LEU A 70 5.910 -11.767 7.947 1.00 0.00 C ATOM 1160 CG LEU A 70 5.545 -12.919 7.012 1.00 0.00 C ATOM 1161 CD1 LEU A 70 4.660 -13.925 7.728 1.00 0.00 C ATOM 1162 CD2 LEU A 70 4.848 -12.387 5.768 1.00 0.00 C ATOM 0 H LEU A 70 6.280 -10.207 9.827 1.00 0.00 H new ATOM 0 HA LEU A 70 6.278 -13.061 9.610 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.990 -11.278 8.268 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.482 -11.031 7.382 1.00 0.00 H new ATOM 0 HG LEU A 70 6.462 -13.424 6.708 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.410 -14.739 7.047 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.190 -14.325 8.593 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.745 -13.434 8.059 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.593 -13.218 5.110 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.938 -11.861 6.057 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.513 -11.700 5.244 1.00 0.00 H new ATOM 1174 N GLY A 71 9.050 -11.516 9.214 1.00 0.00 N ATOM 1175 CA GLY A 71 10.471 -11.710 9.017 1.00 0.00 C ATOM 1176 C GLY A 71 11.004 -10.901 7.860 1.00 0.00 C ATOM 1177 O GLY A 71 12.215 -10.788 7.678 1.00 0.00 O ATOM 0 H GLY A 71 8.798 -10.634 9.659 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.003 -11.433 9.927 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.670 -12.767 8.841 1.00 0.00 H new ATOM 1181 N TYR A 72 10.105 -10.323 7.080 1.00 0.00 N ATOM 1182 CA TYR A 72 10.505 -9.590 5.894 1.00 0.00 C ATOM 1183 C TYR A 72 10.513 -8.090 6.161 1.00 0.00 C ATOM 1184 O TYR A 72 9.570 -7.377 5.810 1.00 0.00 O ATOM 1185 CB TYR A 72 9.575 -9.908 4.725 1.00 0.00 C ATOM 1186 CG TYR A 72 9.420 -11.388 4.453 1.00 0.00 C ATOM 1187 CD1 TYR A 72 10.437 -12.121 3.855 1.00 0.00 C ATOM 1188 CD2 TYR A 72 8.248 -12.049 4.794 1.00 0.00 C ATOM 1189 CE1 TYR A 72 10.289 -13.476 3.611 1.00 0.00 C ATOM 1190 CE2 TYR A 72 8.094 -13.398 4.553 1.00 0.00 C ATOM 1191 CZ TYR A 72 9.114 -14.108 3.963 1.00 0.00 C ATOM 1192 OH TYR A 72 8.957 -15.457 3.726 1.00 0.00 O ATOM 0 H TYR A 72 9.099 -10.348 7.247 1.00 0.00 H new ATOM 0 HA TYR A 72 11.516 -9.902 5.632 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.593 -9.481 4.927 1.00 0.00 H new ATOM 0 HB3 TYR A 72 9.956 -9.421 3.827 1.00 0.00 H new ATOM 0 HD1 TYR A 72 11.356 -11.627 3.576 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.443 -11.497 5.256 1.00 0.00 H new ATOM 0 HE1 TYR A 72 11.089 -14.035 3.148 1.00 0.00 H new ATOM 0 HE2 TYR A 72 7.175 -13.896 4.827 1.00 0.00 H new ATOM 0 HH TYR A 72 8.072 -15.743 4.035 1.00 0.00 H new ATOM 1202 N LEU A 73 11.576 -7.620 6.803 1.00 0.00 N ATOM 1203 CA LEU A 73 11.736 -6.196 7.076 1.00 0.00 C ATOM 1204 C LEU A 73 11.797 -5.407 5.779 1.00 0.00 C ATOM 1205 O LEU A 73 11.310 -4.279 5.701 1.00 0.00 O ATOM 1206 CB LEU A 73 12.997 -5.946 7.903 1.00 0.00 C ATOM 1207 CG LEU A 73 12.918 -6.415 9.356 1.00 0.00 C ATOM 1208 CD1 LEU A 73 14.243 -6.184 10.066 1.00 0.00 C ATOM 1209 CD2 LEU A 73 11.792 -5.693 10.078 1.00 0.00 C ATOM 0 H LEU A 73 12.340 -8.203 7.144 1.00 0.00 H new ATOM 0 HA LEU A 73 10.871 -5.860 7.648 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.836 -6.447 7.420 1.00 0.00 H new ATOM 0 HB3 LEU A 73 13.215 -4.878 7.893 1.00 0.00 H new ATOM 0 HG LEU A 73 12.709 -7.485 9.366 1.00 0.00 H new ATOM 0 HD11 LEU A 73 14.167 -6.524 11.099 1.00 0.00 H new ATOM 0 HD12 LEU A 73 15.030 -6.741 9.558 1.00 0.00 H new ATOM 0 HD13 LEU A 73 14.483 -5.121 10.051 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.745 -6.035 11.112 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.977 -4.619 10.059 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.845 -5.907 9.582 1.00 0.00 H new ATOM 1221 N GLU A 74 12.387 -6.014 4.758 1.00 0.00 N ATOM 1222 CA GLU A 74 12.469 -5.394 3.448 1.00 0.00 C ATOM 1223 C GLU A 74 11.081 -5.161 2.881 1.00 0.00 C ATOM 1224 O GLU A 74 10.756 -4.060 2.446 1.00 0.00 O ATOM 1225 CB GLU A 74 13.244 -6.277 2.483 1.00 0.00 C ATOM 1226 CG GLU A 74 14.691 -6.506 2.860 1.00 0.00 C ATOM 1227 CD GLU A 74 15.381 -7.410 1.866 1.00 0.00 C ATOM 1228 OE1 GLU A 74 15.694 -6.937 0.751 1.00 0.00 O ATOM 1229 OE2 GLU A 74 15.593 -8.597 2.186 1.00 0.00 O ATOM 0 H GLU A 74 12.816 -6.938 4.815 1.00 0.00 H new ATOM 0 HA GLU A 74 12.984 -4.441 3.566 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.743 -7.243 2.413 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.208 -5.827 1.491 1.00 0.00 H new ATOM 0 HG2 GLU A 74 15.212 -5.550 2.908 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.744 -6.948 3.855 1.00 0.00 H new ATOM 1236 N ILE A 75 10.268 -6.211 2.883 1.00 0.00 N ATOM 1237 CA ILE A 75 8.908 -6.123 2.373 1.00 0.00 C ATOM 1238 C ILE A 75 8.099 -5.115 3.184 1.00 0.00 C ATOM 1239 O ILE A 75 7.311 -4.364 2.623 1.00 0.00 O ATOM 1240 CB ILE A 75 8.208 -7.501 2.372 1.00 0.00 C ATOM 1241 CG1 ILE A 75 8.964 -8.471 1.459 1.00 0.00 C ATOM 1242 CG2 ILE A 75 6.756 -7.374 1.926 1.00 0.00 C ATOM 1243 CD1 ILE A 75 8.320 -9.836 1.348 1.00 0.00 C ATOM 0 H ILE A 75 10.529 -7.133 3.233 1.00 0.00 H new ATOM 0 HA ILE A 75 8.965 -5.781 1.340 1.00 0.00 H new ATOM 0 HB ILE A 75 8.215 -7.892 3.389 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.039 -8.034 0.463 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.981 -8.589 1.833 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.286 -8.357 1.934 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.223 -6.711 2.607 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.720 -6.963 0.917 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.913 -10.465 0.685 1.00 0.00 H new ATOM 0 HD12 ILE A 75 8.269 -10.296 2.335 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.313 -9.731 0.944 1.00 0.00 H new ATOM 1255 N ALA A 76 8.325 -5.081 4.492 1.00 0.00 N ATOM 1256 CA ALA A 76 7.661 -4.104 5.353 1.00 0.00 C ATOM 1257 C ALA A 76 7.973 -2.679 4.893 1.00 0.00 C ATOM 1258 O ALA A 76 7.081 -1.831 4.805 1.00 0.00 O ATOM 1259 CB ALA A 76 8.080 -4.304 6.802 1.00 0.00 C ATOM 0 H ALA A 76 8.959 -5.714 4.980 1.00 0.00 H new ATOM 0 HA ALA A 76 6.584 -4.256 5.281 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.577 -3.569 7.431 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.804 -5.308 7.125 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.159 -4.179 6.889 1.00 0.00 H new ATOM 1265 N MET A 77 9.245 -2.425 4.595 1.00 0.00 N ATOM 1266 CA MET A 77 9.664 -1.124 4.074 1.00 0.00 C ATOM 1267 C MET A 77 9.105 -0.899 2.669 1.00 0.00 C ATOM 1268 O MET A 77 8.583 0.172 2.360 1.00 0.00 O ATOM 1269 CB MET A 77 11.193 -1.013 4.027 1.00 0.00 C ATOM 1270 CG MET A 77 11.897 -1.146 5.374 1.00 0.00 C ATOM 1271 SD MET A 77 11.364 0.071 6.599 1.00 0.00 S ATOM 1272 CE MET A 77 10.009 -0.806 7.373 1.00 0.00 C ATOM 0 H MET A 77 10.002 -3.100 4.704 1.00 0.00 H new ATOM 0 HA MET A 77 9.272 -0.363 4.749 1.00 0.00 H new ATOM 0 HB2 MET A 77 11.576 -1.783 3.357 1.00 0.00 H new ATOM 0 HB3 MET A 77 11.458 -0.050 3.590 1.00 0.00 H new ATOM 0 HG2 MET A 77 11.720 -2.146 5.769 1.00 0.00 H new ATOM 0 HG3 MET A 77 12.972 -1.049 5.223 1.00 0.00 H new ATOM 0 HE1 MET A 77 10.081 -0.704 8.456 1.00 0.00 H new ATOM 0 HE2 MET A 77 9.062 -0.388 7.031 1.00 0.00 H new ATOM 0 HE3 MET A 77 10.058 -1.861 7.104 1.00 0.00 H new ATOM 1282 N ARG A 78 9.219 -1.922 1.829 1.00 0.00 N ATOM 1283 CA ARG A 78 8.779 -1.844 0.440 1.00 0.00 C ATOM 1284 C ARG A 78 7.274 -1.601 0.334 1.00 0.00 C ATOM 1285 O ARG A 78 6.832 -0.781 -0.468 1.00 0.00 O ATOM 1286 CB ARG A 78 9.174 -3.120 -0.319 1.00 0.00 C ATOM 1287 CG ARG A 78 10.643 -3.159 -0.728 1.00 0.00 C ATOM 1288 CD ARG A 78 11.037 -4.505 -1.326 1.00 0.00 C ATOM 1289 NE ARG A 78 12.312 -4.440 -2.049 1.00 0.00 N ATOM 1290 CZ ARG A 78 13.428 -5.078 -1.680 1.00 0.00 C ATOM 1291 NH1 ARG A 78 13.445 -5.824 -0.583 1.00 0.00 N ATOM 1292 NH2 ARG A 78 14.526 -4.979 -2.419 1.00 0.00 N ATOM 0 H ARG A 78 9.617 -2.824 2.089 1.00 0.00 H new ATOM 0 HA ARG A 78 9.280 -0.991 -0.017 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.957 -3.986 0.306 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.555 -3.208 -1.212 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.838 -2.370 -1.454 1.00 0.00 H new ATOM 0 HG3 ARG A 78 11.267 -2.953 0.142 1.00 0.00 H new ATOM 0 HD2 ARG A 78 11.110 -5.246 -0.530 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.254 -4.842 -2.005 1.00 0.00 H new ATOM 0 HE ARG A 78 12.350 -3.868 -2.893 1.00 0.00 H new ATOM 0 HH11 ARG A 78 12.603 -5.914 -0.014 1.00 0.00 H new ATOM 0 HH12 ARG A 78 14.300 -6.307 -0.308 1.00 0.00 H new ATOM 0 HH21 ARG A 78 14.519 -4.416 -3.269 1.00 0.00 H new ATOM 0 HH22 ARG A 78 15.377 -5.466 -2.136 1.00 0.00 H new ATOM 1306 N VAL A 79 6.490 -2.304 1.144 1.00 0.00 N ATOM 1307 CA VAL A 79 5.040 -2.133 1.140 1.00 0.00 C ATOM 1308 C VAL A 79 4.659 -0.730 1.605 1.00 0.00 C ATOM 1309 O VAL A 79 3.750 -0.112 1.052 1.00 0.00 O ATOM 1310 CB VAL A 79 4.329 -3.193 2.015 1.00 0.00 C ATOM 1311 CG1 VAL A 79 2.849 -2.872 2.180 1.00 0.00 C ATOM 1312 CG2 VAL A 79 4.493 -4.578 1.409 1.00 0.00 C ATOM 0 H VAL A 79 6.832 -2.996 1.810 1.00 0.00 H new ATOM 0 HA VAL A 79 4.705 -2.271 0.112 1.00 0.00 H new ATOM 0 HB VAL A 79 4.795 -3.176 3.000 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.378 -3.635 2.800 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.739 -1.898 2.657 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.370 -2.853 1.201 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.987 -5.312 2.036 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.057 -4.592 0.410 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.553 -4.824 1.345 1.00 0.00 H new ATOM 1322 N LYS A 80 5.373 -0.219 2.606 1.00 0.00 N ATOM 1323 CA LYS A 80 5.140 1.138 3.087 1.00 0.00 C ATOM 1324 C LYS A 80 5.390 2.146 1.969 1.00 0.00 C ATOM 1325 O LYS A 80 4.672 3.137 1.844 1.00 0.00 O ATOM 1326 CB LYS A 80 6.028 1.460 4.296 1.00 0.00 C ATOM 1327 CG LYS A 80 5.853 2.885 4.806 1.00 0.00 C ATOM 1328 CD LYS A 80 6.688 3.165 6.044 1.00 0.00 C ATOM 1329 CE LYS A 80 6.232 2.328 7.227 1.00 0.00 C ATOM 1330 NZ LYS A 80 6.882 2.757 8.494 1.00 0.00 N ATOM 0 H LYS A 80 6.113 -0.722 3.096 1.00 0.00 H new ATOM 0 HA LYS A 80 4.099 1.207 3.404 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.801 0.762 5.102 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.072 1.304 4.024 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.130 3.586 4.019 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.801 3.060 5.033 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.736 2.955 5.832 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.620 4.223 6.298 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.150 2.405 7.330 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.461 1.279 7.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.544 2.161 9.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.914 2.660 8.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.643 3.751 8.687 1.00 0.00 H new ATOM 1344 N GLN A 81 6.404 1.877 1.154 1.00 0.00 N ATOM 1345 CA GLN A 81 6.725 2.727 0.016 1.00 0.00 C ATOM 1346 C GLN A 81 5.538 2.796 -0.946 1.00 0.00 C ATOM 1347 O GLN A 81 5.117 3.880 -1.354 1.00 0.00 O ATOM 1348 CB GLN A 81 7.962 2.192 -0.710 1.00 0.00 C ATOM 1349 CG GLN A 81 8.455 3.094 -1.830 1.00 0.00 C ATOM 1350 CD GLN A 81 8.957 4.434 -1.324 1.00 0.00 C ATOM 1351 OE1 GLN A 81 9.466 4.541 -0.207 1.00 0.00 O ATOM 1352 NE2 GLN A 81 8.820 5.461 -2.144 1.00 0.00 N ATOM 0 H GLN A 81 7.020 1.072 1.262 1.00 0.00 H new ATOM 0 HA GLN A 81 6.938 3.732 0.380 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.765 2.055 0.014 1.00 0.00 H new ATOM 0 HB3 GLN A 81 7.733 1.209 -1.122 1.00 0.00 H new ATOM 0 HG2 GLN A 81 9.257 2.591 -2.370 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.646 3.259 -2.541 1.00 0.00 H new ATOM 0 HE21 GLN A 81 8.393 5.328 -3.061 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.142 6.387 -1.860 1.00 0.00 H new ATOM 1361 N TYR A 82 4.991 1.631 -1.284 1.00 0.00 N ATOM 1362 CA TYR A 82 3.841 1.554 -2.181 1.00 0.00 C ATOM 1363 C TYR A 82 2.642 2.249 -1.553 1.00 0.00 C ATOM 1364 O TYR A 82 1.957 3.041 -2.201 1.00 0.00 O ATOM 1365 CB TYR A 82 3.476 0.096 -2.488 1.00 0.00 C ATOM 1366 CG TYR A 82 4.649 -0.769 -2.888 1.00 0.00 C ATOM 1367 CD1 TYR A 82 5.675 -0.266 -3.681 1.00 0.00 C ATOM 1368 CD2 TYR A 82 4.736 -2.087 -2.460 1.00 0.00 C ATOM 1369 CE1 TYR A 82 6.751 -1.055 -4.037 1.00 0.00 C ATOM 1370 CE2 TYR A 82 5.812 -2.880 -2.810 1.00 0.00 C ATOM 1371 CZ TYR A 82 6.815 -2.359 -3.599 1.00 0.00 C ATOM 1372 OH TYR A 82 7.891 -3.143 -3.946 1.00 0.00 O ATOM 0 H TYR A 82 5.326 0.727 -0.950 1.00 0.00 H new ATOM 0 HA TYR A 82 4.110 2.051 -3.113 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.001 -0.340 -1.609 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.738 0.080 -3.290 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.629 0.757 -4.024 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.950 -2.499 -1.844 1.00 0.00 H new ATOM 0 HE1 TYR A 82 7.539 -0.651 -4.656 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.867 -3.903 -2.467 1.00 0.00 H new ATOM 0 HH TYR A 82 7.784 -4.036 -3.556 1.00 0.00 H new ATOM 1382 N ALA A 83 2.408 1.950 -0.280 1.00 0.00 N ATOM 1383 CA ALA A 83 1.290 2.522 0.459 1.00 0.00 C ATOM 1384 C ALA A 83 1.366 4.043 0.484 1.00 0.00 C ATOM 1385 O ALA A 83 0.365 4.718 0.265 1.00 0.00 O ATOM 1386 CB ALA A 83 1.253 1.971 1.876 1.00 0.00 C ATOM 0 H ALA A 83 2.984 1.309 0.265 1.00 0.00 H new ATOM 0 HA ALA A 83 0.370 2.239 -0.053 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.412 2.408 2.415 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.138 0.888 1.842 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.182 2.222 2.388 1.00 0.00 H new ATOM 1392 N THR A 84 2.557 4.574 0.734 1.00 0.00 N ATOM 1393 CA THR A 84 2.761 6.016 0.795 1.00 0.00 C ATOM 1394 C THR A 84 2.388 6.680 -0.533 1.00 0.00 C ATOM 1395 O THR A 84 1.763 7.744 -0.551 1.00 0.00 O ATOM 1396 CB THR A 84 4.221 6.357 1.162 1.00 0.00 C ATOM 1397 OG1 THR A 84 4.561 5.741 2.412 1.00 0.00 O ATOM 1398 CG2 THR A 84 4.427 7.863 1.269 1.00 0.00 C ATOM 0 H THR A 84 3.400 4.024 0.899 1.00 0.00 H new ATOM 0 HA THR A 84 2.107 6.405 1.576 1.00 0.00 H new ATOM 0 HB THR A 84 4.866 5.977 0.370 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.944 4.854 2.246 1.00 0.00 H new ATOM 0 HG21 THR A 84 5.465 8.071 1.529 1.00 0.00 H new ATOM 0 HG22 THR A 84 4.191 8.331 0.313 1.00 0.00 H new ATOM 0 HG23 THR A 84 3.772 8.266 2.042 1.00 0.00 H new ATOM 1406 N ALA A 85 2.744 6.033 -1.638 1.00 0.00 N ATOM 1407 CA ALA A 85 2.403 6.539 -2.963 1.00 0.00 C ATOM 1408 C ALA A 85 0.889 6.574 -3.152 1.00 0.00 C ATOM 1409 O ALA A 85 0.337 7.536 -3.693 1.00 0.00 O ATOM 1410 CB ALA A 85 3.060 5.687 -4.040 1.00 0.00 C ATOM 0 H ALA A 85 3.268 5.158 -1.642 1.00 0.00 H new ATOM 0 HA ALA A 85 2.780 7.558 -3.052 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.796 6.077 -5.023 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.143 5.716 -3.917 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.712 4.658 -3.952 1.00 0.00 H new ATOM 1416 N ILE A 86 0.222 5.524 -2.685 1.00 0.00 N ATOM 1417 CA ILE A 86 -1.233 5.443 -2.749 1.00 0.00 C ATOM 1418 C ILE A 86 -1.865 6.479 -1.821 1.00 0.00 C ATOM 1419 O ILE A 86 -2.885 7.080 -2.149 1.00 0.00 O ATOM 1420 CB ILE A 86 -1.734 4.030 -2.373 1.00 0.00 C ATOM 1421 CG1 ILE A 86 -1.069 2.980 -3.271 1.00 0.00 C ATOM 1422 CG2 ILE A 86 -3.251 3.951 -2.493 1.00 0.00 C ATOM 1423 CD1 ILE A 86 -1.418 1.555 -2.907 1.00 0.00 C ATOM 0 H ILE A 86 0.668 4.713 -2.256 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.531 5.650 -3.777 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.463 3.827 -1.337 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.361 3.163 -4.305 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.013 3.104 -3.219 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.586 2.949 -2.224 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.707 4.678 -1.821 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.547 4.169 -3.519 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.910 0.871 -3.587 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.101 1.353 -1.884 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.496 1.412 -2.987 1.00 0.00 H new ATOM 1435 N MET A 87 -1.237 6.701 -0.671 1.00 0.00 N ATOM 1436 CA MET A 87 -1.719 7.686 0.293 1.00 0.00 C ATOM 1437 C MET A 87 -1.637 9.096 -0.283 1.00 0.00 C ATOM 1438 O MET A 87 -2.483 9.938 0.003 1.00 0.00 O ATOM 1439 CB MET A 87 -0.926 7.607 1.599 1.00 0.00 C ATOM 1440 CG MET A 87 -1.115 6.299 2.350 1.00 0.00 C ATOM 1441 SD MET A 87 -0.089 6.195 3.829 1.00 0.00 S ATOM 1442 CE MET A 87 -0.422 4.513 4.345 1.00 0.00 C ATOM 0 H MET A 87 -0.390 6.211 -0.382 1.00 0.00 H new ATOM 0 HA MET A 87 -2.763 7.457 0.506 1.00 0.00 H new ATOM 0 HB2 MET A 87 0.133 7.740 1.379 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.223 8.433 2.245 1.00 0.00 H new ATOM 0 HG2 MET A 87 -2.163 6.194 2.631 1.00 0.00 H new ATOM 0 HG3 MET A 87 -0.877 5.466 1.688 1.00 0.00 H new ATOM 0 HE1 MET A 87 0.382 4.166 4.994 1.00 0.00 H new ATOM 0 HE2 MET A 87 -1.367 4.479 4.887 1.00 0.00 H new ATOM 0 HE3 MET A 87 -0.484 3.869 3.468 1.00 0.00 H new ATOM 1452 N ARG A 88 -0.619 9.351 -1.100 1.00 0.00 N ATOM 1453 CA ARG A 88 -0.502 10.638 -1.774 1.00 0.00 C ATOM 1454 C ARG A 88 -1.634 10.801 -2.784 1.00 0.00 C ATOM 1455 O ARG A 88 -2.227 11.874 -2.906 1.00 0.00 O ATOM 1456 CB ARG A 88 0.857 10.774 -2.468 1.00 0.00 C ATOM 1457 CG ARG A 88 1.022 12.088 -3.216 1.00 0.00 C ATOM 1458 CD ARG A 88 2.424 12.246 -3.778 1.00 0.00 C ATOM 1459 NE ARG A 88 2.555 13.464 -4.575 1.00 0.00 N ATOM 1460 CZ ARG A 88 3.617 14.269 -4.544 1.00 0.00 C ATOM 1461 NH1 ARG A 88 4.636 14.003 -3.739 1.00 0.00 N ATOM 1462 NH2 ARG A 88 3.654 15.348 -5.317 1.00 0.00 N ATOM 0 H ARG A 88 0.129 8.690 -1.309 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.576 11.427 -1.025 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.648 10.686 -1.723 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.984 9.948 -3.167 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.297 12.137 -4.029 1.00 0.00 H new ATOM 0 HG3 ARG A 88 0.804 12.918 -2.544 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.143 12.268 -2.959 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.668 11.381 -4.394 1.00 0.00 H new ATOM 0 HE ARG A 88 1.784 13.714 -5.195 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.610 13.179 -3.139 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.446 14.623 -3.720 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.870 15.560 -5.934 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.466 15.964 -5.294 1.00 0.00 H new ATOM 1476 N TYR A 89 -1.946 9.718 -3.487 1.00 0.00 N ATOM 1477 CA TYR A 89 -3.066 9.705 -4.419 1.00 0.00 C ATOM 1478 C TYR A 89 -4.375 9.870 -3.648 1.00 0.00 C ATOM 1479 O TYR A 89 -5.339 10.450 -4.149 1.00 0.00 O ATOM 1480 CB TYR A 89 -3.066 8.399 -5.225 1.00 0.00 C ATOM 1481 CG TYR A 89 -4.116 8.335 -6.315 1.00 0.00 C ATOM 1482 CD1 TYR A 89 -4.044 9.163 -7.428 1.00 0.00 C ATOM 1483 CD2 TYR A 89 -5.174 7.439 -6.235 1.00 0.00 C ATOM 1484 CE1 TYR A 89 -4.997 9.102 -8.427 1.00 0.00 C ATOM 1485 CE2 TYR A 89 -6.130 7.372 -7.229 1.00 0.00 C ATOM 1486 CZ TYR A 89 -6.037 8.205 -8.323 1.00 0.00 C ATOM 1487 OH TYR A 89 -6.995 8.145 -9.312 1.00 0.00 O ATOM 0 H TYR A 89 -1.437 8.836 -3.428 1.00 0.00 H new ATOM 0 HA TYR A 89 -2.967 10.535 -5.119 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.083 8.265 -5.676 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.219 7.564 -4.541 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.229 9.867 -7.514 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -5.250 6.783 -5.380 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.927 9.754 -9.285 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.947 6.670 -7.150 1.00 0.00 H new ATOM 0 HH TYR A 89 -6.595 8.396 -10.171 1.00 0.00 H new ATOM 1497 N ALA A 90 -4.388 9.370 -2.417 1.00 0.00 N ATOM 1498 CA ALA A 90 -5.531 9.515 -1.530 1.00 0.00 C ATOM 1499 C ALA A 90 -5.773 10.982 -1.189 1.00 0.00 C ATOM 1500 O ALA A 90 -6.892 11.475 -1.316 1.00 0.00 O ATOM 1501 CB ALA A 90 -5.330 8.698 -0.262 1.00 0.00 C ATOM 0 H ALA A 90 -3.608 8.855 -2.009 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.412 9.138 -2.048 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.195 8.819 0.390 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.215 7.646 -0.522 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.435 9.044 0.255 1.00 0.00 H new ATOM 1507 N VAL A 91 -4.720 11.680 -0.769 1.00 0.00 N ATOM 1508 CA VAL A 91 -4.825 13.106 -0.453 1.00 0.00 C ATOM 1509 C VAL A 91 -5.243 13.890 -1.695 1.00 0.00 C ATOM 1510 O VAL A 91 -5.981 14.875 -1.613 1.00 0.00 O ATOM 1511 CB VAL A 91 -3.487 13.678 0.079 1.00 0.00 C ATOM 1512 CG1 VAL A 91 -3.654 15.118 0.547 1.00 0.00 C ATOM 1513 CG2 VAL A 91 -2.936 12.821 1.206 1.00 0.00 C ATOM 0 H VAL A 91 -3.788 11.286 -0.640 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.578 13.210 0.328 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.774 13.664 -0.745 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.699 15.494 0.915 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.990 15.735 -0.287 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.393 15.157 1.348 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.997 13.246 1.560 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.654 12.793 2.026 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.762 11.809 0.841 1.00 0.00 H new ATOM 1523 N GLN A 92 -4.784 13.422 -2.849 1.00 0.00 N ATOM 1524 CA GLN A 92 -5.081 14.065 -4.121 1.00 0.00 C ATOM 1525 C GLN A 92 -6.567 13.941 -4.465 1.00 0.00 C ATOM 1526 O GLN A 92 -7.128 14.785 -5.166 1.00 0.00 O ATOM 1527 CB GLN A 92 -4.221 13.441 -5.223 1.00 0.00 C ATOM 1528 CG GLN A 92 -4.180 14.247 -6.508 1.00 0.00 C ATOM 1529 CD GLN A 92 -3.255 13.636 -7.540 1.00 0.00 C ATOM 1530 OE1 GLN A 92 -2.063 13.946 -7.586 1.00 0.00 O ATOM 1531 NE2 GLN A 92 -3.798 12.769 -8.377 1.00 0.00 N ATOM 0 H GLN A 92 -4.199 12.591 -2.929 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.847 15.126 -4.040 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -3.204 13.320 -4.850 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -4.601 12.444 -5.444 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -5.186 14.318 -6.922 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -3.853 15.263 -6.287 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -4.789 12.541 -8.303 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -3.226 12.328 -9.097 1.00 0.00 H new ATOM 1540 N GLN A 93 -7.204 12.885 -3.965 1.00 0.00 N ATOM 1541 CA GLN A 93 -8.642 12.698 -4.159 1.00 0.00 C ATOM 1542 C GLN A 93 -9.416 13.173 -2.931 1.00 0.00 C ATOM 1543 O GLN A 93 -10.626 12.972 -2.838 1.00 0.00 O ATOM 1544 CB GLN A 93 -8.981 11.229 -4.424 1.00 0.00 C ATOM 1545 CG GLN A 93 -8.219 10.612 -5.581 1.00 0.00 C ATOM 1546 CD GLN A 93 -8.845 9.312 -6.041 1.00 0.00 C ATOM 1547 OE1 GLN A 93 -9.649 9.293 -6.972 1.00 0.00 O ATOM 1548 NE2 GLN A 93 -8.514 8.223 -5.369 1.00 0.00 N ATOM 0 H GLN A 93 -6.751 12.148 -3.425 1.00 0.00 H new ATOM 0 HA GLN A 93 -8.932 13.290 -5.027 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -8.777 10.653 -3.522 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -10.050 11.145 -4.622 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -8.191 11.315 -6.413 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -7.187 10.432 -5.281 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -7.843 8.281 -4.603 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -8.930 7.325 -5.616 1.00 0.00 H new ATOM 1557 N LYS A 94 -8.695 13.784 -1.990 1.00 0.00 N ATOM 1558 CA LYS A 94 -9.281 14.314 -0.755 1.00 0.00 C ATOM 1559 C LYS A 94 -9.847 13.182 0.111 1.00 0.00 C ATOM 1560 O LYS A 94 -10.786 13.373 0.886 1.00 0.00 O ATOM 1561 CB LYS A 94 -10.365 15.349 -1.077 1.00 0.00 C ATOM 1562 CG LYS A 94 -10.660 16.303 0.072 1.00 0.00 C ATOM 1563 CD LYS A 94 -11.630 17.396 -0.339 1.00 0.00 C ATOM 1564 CE LYS A 94 -12.988 16.831 -0.716 1.00 0.00 C ATOM 1565 NZ LYS A 94 -13.929 17.901 -1.132 1.00 0.00 N ATOM 0 H LYS A 94 -7.687 13.926 -2.061 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.493 14.808 -0.187 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.056 15.927 -1.948 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.283 14.828 -1.350 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.076 15.745 0.911 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.730 16.754 0.419 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -11.746 18.106 0.480 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -11.219 17.948 -1.184 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -12.871 16.113 -1.528 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -13.405 16.288 0.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -14.846 17.479 -1.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -14.059 18.573 -0.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -13.542 18.402 -1.957 1.00 0.00 H new ATOM 1579 N MET A 95 -9.250 12.006 -0.018 1.00 0.00 N ATOM 1580 CA MET A 95 -9.626 10.852 0.791 1.00 0.00 C ATOM 1581 C MET A 95 -9.126 11.037 2.212 1.00 0.00 C ATOM 1582 O MET A 95 -9.883 10.942 3.176 1.00 0.00 O ATOM 1583 CB MET A 95 -9.019 9.581 0.203 1.00 0.00 C ATOM 1584 CG MET A 95 -9.551 9.220 -1.169 1.00 0.00 C ATOM 1585 SD MET A 95 -8.491 8.042 -2.022 1.00 0.00 S ATOM 1586 CE MET A 95 -8.281 6.802 -0.747 1.00 0.00 C ATOM 0 H MET A 95 -8.497 11.824 -0.681 1.00 0.00 H new ATOM 0 HA MET A 95 -10.712 10.763 0.795 1.00 0.00 H new ATOM 0 HB2 MET A 95 -7.938 9.702 0.141 1.00 0.00 H new ATOM 0 HB3 MET A 95 -9.208 8.752 0.884 1.00 0.00 H new ATOM 0 HG2 MET A 95 -10.552 8.800 -1.070 1.00 0.00 H new ATOM 0 HG3 MET A 95 -9.643 10.124 -1.770 1.00 0.00 H new ATOM 0 HE1 MET A 95 -7.847 5.902 -1.183 1.00 0.00 H new ATOM 0 HE2 MET A 95 -7.618 7.186 0.028 1.00 0.00 H new ATOM 0 HE3 MET A 95 -9.250 6.562 -0.309 1.00 0.00 H new ATOM 1596 N ILE A 96 -7.834 11.300 2.322 1.00 0.00 N ATOM 1597 CA ILE A 96 -7.213 11.600 3.596 1.00 0.00 C ATOM 1598 C ILE A 96 -6.583 12.981 3.522 1.00 0.00 C ATOM 1599 O ILE A 96 -6.233 13.448 2.438 1.00 0.00 O ATOM 1600 CB ILE A 96 -6.145 10.551 3.987 1.00 0.00 C ATOM 1601 CG1 ILE A 96 -5.041 10.475 2.927 1.00 0.00 C ATOM 1602 CG2 ILE A 96 -6.793 9.187 4.180 1.00 0.00 C ATOM 1603 CD1 ILE A 96 -3.943 9.484 3.256 1.00 0.00 C ATOM 0 H ILE A 96 -7.190 11.311 1.531 1.00 0.00 H new ATOM 0 HA ILE A 96 -7.984 11.573 4.366 1.00 0.00 H new ATOM 0 HB ILE A 96 -5.690 10.859 4.928 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.487 10.204 1.970 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -4.600 11.464 2.804 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -6.031 8.458 4.455 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -7.540 9.248 4.972 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.273 8.878 3.252 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -3.199 9.487 2.459 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.469 9.765 4.196 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -4.370 8.486 3.349 1.00 0.00 H new ATOM 1615 N ARG A 97 -6.451 13.640 4.658 1.00 0.00 N ATOM 1616 CA ARG A 97 -5.973 15.017 4.673 1.00 0.00 C ATOM 1617 C ARG A 97 -4.450 15.070 4.680 1.00 0.00 C ATOM 1618 O ARG A 97 -3.850 15.968 4.090 1.00 0.00 O ATOM 1619 CB ARG A 97 -6.546 15.764 5.876 1.00 0.00 C ATOM 1620 CG ARG A 97 -8.054 15.616 6.002 1.00 0.00 C ATOM 1621 CD ARG A 97 -8.620 16.520 7.081 1.00 0.00 C ATOM 1622 NE ARG A 97 -10.013 16.196 7.390 1.00 0.00 N ATOM 1623 CZ ARG A 97 -11.035 17.031 7.220 1.00 0.00 C ATOM 1624 NH1 ARG A 97 -10.847 18.211 6.642 1.00 0.00 N ATOM 1625 NH2 ARG A 97 -12.256 16.664 7.600 1.00 0.00 N ATOM 0 H ARG A 97 -6.665 13.252 5.577 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.318 15.507 3.763 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -6.073 15.394 6.786 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.296 16.822 5.793 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -8.524 15.852 5.047 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -8.300 14.579 6.231 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -8.017 16.428 7.984 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -8.552 17.558 6.757 1.00 0.00 H new ATOM 0 HE ARG A 97 -10.214 15.267 7.761 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -9.916 18.481 6.326 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -11.634 18.847 6.514 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -12.405 15.746 8.019 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -13.043 17.300 7.472 1.00 0.00 H new ATOM 1639 N PHE A 98 -3.828 14.103 5.339 1.00 0.00 N ATOM 1640 CA PHE A 98 -2.374 14.034 5.409 1.00 0.00 C ATOM 1641 C PHE A 98 -1.903 12.587 5.399 1.00 0.00 C ATOM 1642 O PHE A 98 -2.715 11.663 5.464 1.00 0.00 O ATOM 1643 CB PHE A 98 -1.843 14.739 6.661 1.00 0.00 C ATOM 1644 CG PHE A 98 -1.941 16.236 6.608 1.00 0.00 C ATOM 1645 CD1 PHE A 98 -1.063 16.969 5.826 1.00 0.00 C ATOM 1646 CD2 PHE A 98 -2.910 16.907 7.334 1.00 0.00 C ATOM 1647 CE1 PHE A 98 -1.149 18.346 5.772 1.00 0.00 C ATOM 1648 CE2 PHE A 98 -3.001 18.284 7.284 1.00 0.00 C ATOM 1649 CZ PHE A 98 -2.120 19.004 6.501 1.00 0.00 C ATOM 0 H PHE A 98 -4.309 13.352 5.835 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.980 14.545 4.530 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -2.395 14.380 7.529 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.800 14.459 6.808 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.304 16.458 5.253 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -3.602 16.348 7.946 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -0.458 18.908 5.161 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.760 18.797 7.856 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.190 20.081 6.459 1.00 0.00 H new ATOM 1659 N ASN A 99 -0.594 12.402 5.327 1.00 0.00 N ATOM 1660 CA ASN A 99 0.000 11.071 5.284 1.00 0.00 C ATOM 1661 C ASN A 99 0.408 10.620 6.687 1.00 0.00 C ATOM 1662 O ASN A 99 1.281 11.222 7.308 1.00 0.00 O ATOM 1663 CB ASN A 99 1.222 11.070 4.358 1.00 0.00 C ATOM 1664 CG ASN A 99 1.909 9.723 4.302 1.00 0.00 C ATOM 1665 OD1 ASN A 99 2.765 9.419 5.125 1.00 0.00 O ATOM 1666 ND2 ASN A 99 1.548 8.911 3.324 1.00 0.00 N ATOM 0 H ASN A 99 0.084 13.163 5.297 1.00 0.00 H new ATOM 0 HA ASN A 99 -0.742 10.373 4.896 1.00 0.00 H new ATOM 0 HB2 ASN A 99 0.912 11.358 3.353 1.00 0.00 H new ATOM 0 HB3 ASN A 99 1.933 11.822 4.700 1.00 0.00 H new ATOM 0 HD21 ASN A 99 1.986 7.994 3.234 1.00 0.00 H new ATOM 0 HD22 ASN A 99 0.831 9.201 2.659 1.00 0.00 H new ATOM 1673 N PRO A 100 -0.221 9.550 7.202 1.00 0.00 N ATOM 1674 CA PRO A 100 0.043 9.037 8.551 1.00 0.00 C ATOM 1675 C PRO A 100 1.398 8.339 8.673 1.00 0.00 C ATOM 1676 O PRO A 100 1.915 8.165 9.774 1.00 0.00 O ATOM 1677 CB PRO A 100 -1.089 8.026 8.793 1.00 0.00 C ATOM 1678 CG PRO A 100 -2.057 8.232 7.675 1.00 0.00 C ATOM 1679 CD PRO A 100 -1.255 8.763 6.525 1.00 0.00 C ATOM 0 HA PRO A 100 0.075 9.850 9.276 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -0.708 7.005 8.798 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -1.565 8.194 9.759 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.549 7.297 7.408 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.840 8.934 7.962 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.827 7.961 5.923 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.860 9.376 5.856 1.00 0.00 H new ATOM 1687 N ALA A 101 1.980 7.949 7.544 1.00 0.00 N ATOM 1688 CA ALA A 101 3.255 7.241 7.557 1.00 0.00 C ATOM 1689 C ALA A 101 4.396 8.186 7.931 1.00 0.00 C ATOM 1690 O ALA A 101 5.335 7.796 8.627 1.00 0.00 O ATOM 1691 CB ALA A 101 3.510 6.573 6.213 1.00 0.00 C ATOM 0 H ALA A 101 1.592 8.110 6.614 1.00 0.00 H new ATOM 0 HA ALA A 101 3.208 6.460 8.316 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.466 6.050 6.242 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.712 5.860 6.004 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.535 7.330 5.429 1.00 0.00 H new ATOM 1697 N TYR A 102 4.302 9.434 7.476 1.00 0.00 N ATOM 1698 CA TYR A 102 5.270 10.463 7.851 1.00 0.00 C ATOM 1699 C TYR A 102 4.946 11.023 9.231 1.00 0.00 C ATOM 1700 O TYR A 102 5.804 11.606 9.892 1.00 0.00 O ATOM 1701 CB TYR A 102 5.276 11.622 6.849 1.00 0.00 C ATOM 1702 CG TYR A 102 5.721 11.263 5.449 1.00 0.00 C ATOM 1703 CD1 TYR A 102 6.963 10.684 5.212 1.00 0.00 C ATOM 1704 CD2 TYR A 102 4.901 11.524 4.362 1.00 0.00 C ATOM 1705 CE1 TYR A 102 7.369 10.375 3.926 1.00 0.00 C ATOM 1706 CE2 TYR A 102 5.301 11.223 3.077 1.00 0.00 C ATOM 1707 CZ TYR A 102 6.533 10.649 2.862 1.00 0.00 C ATOM 1708 OH TYR A 102 6.934 10.360 1.577 1.00 0.00 O ATOM 0 H TYR A 102 3.566 9.757 6.848 1.00 0.00 H new ATOM 0 HA TYR A 102 6.252 9.990 7.857 1.00 0.00 H new ATOM 0 HB2 TYR A 102 4.271 12.041 6.797 1.00 0.00 H new ATOM 0 HB3 TYR A 102 5.929 12.407 7.230 1.00 0.00 H new ATOM 0 HD1 TYR A 102 7.620 10.473 6.043 1.00 0.00 H new ATOM 0 HD2 TYR A 102 3.931 11.971 4.524 1.00 0.00 H new ATOM 0 HE1 TYR A 102 8.334 9.922 3.755 1.00 0.00 H new ATOM 0 HE2 TYR A 102 4.650 11.437 2.242 1.00 0.00 H new ATOM 0 HH TYR A 102 6.226 10.615 0.948 1.00 0.00 H new ATOM 1718 N ASP A 103 3.701 10.821 9.655 1.00 0.00 N ATOM 1719 CA ASP A 103 3.178 11.399 10.897 1.00 0.00 C ATOM 1720 C ASP A 103 3.964 10.927 12.122 1.00 0.00 C ATOM 1721 O ASP A 103 3.997 11.604 13.150 1.00 0.00 O ATOM 1722 CB ASP A 103 1.695 11.037 11.043 1.00 0.00 C ATOM 1723 CG ASP A 103 1.056 11.596 12.299 1.00 0.00 C ATOM 1724 OD1 ASP A 103 0.806 12.820 12.352 1.00 0.00 O ATOM 1725 OD2 ASP A 103 0.768 10.811 13.224 1.00 0.00 O ATOM 0 H ASP A 103 3.023 10.252 9.149 1.00 0.00 H new ATOM 0 HA ASP A 103 3.290 12.482 10.841 1.00 0.00 H new ATOM 0 HB2 ASP A 103 1.152 11.407 10.173 1.00 0.00 H new ATOM 0 HB3 ASP A 103 1.593 9.952 11.045 1.00 0.00 H new ATOM 1730 N LEU A 104 4.605 9.773 12.004 1.00 0.00 N ATOM 1731 CA LEU A 104 5.402 9.227 13.096 1.00 0.00 C ATOM 1732 C LEU A 104 6.672 10.042 13.312 1.00 0.00 C ATOM 1733 O LEU A 104 7.191 10.098 14.429 1.00 0.00 O ATOM 1734 CB LEU A 104 5.788 7.775 12.812 1.00 0.00 C ATOM 1735 CG LEU A 104 4.626 6.792 12.703 1.00 0.00 C ATOM 1736 CD1 LEU A 104 5.160 5.390 12.469 1.00 0.00 C ATOM 1737 CD2 LEU A 104 3.761 6.837 13.955 1.00 0.00 C ATOM 0 H LEU A 104 4.589 9.196 11.163 1.00 0.00 H new ATOM 0 HA LEU A 104 4.790 9.273 13.997 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.355 7.744 11.881 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.456 7.434 13.603 1.00 0.00 H new ATOM 0 HG LEU A 104 4.002 7.078 11.856 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.327 4.691 12.392 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.737 5.370 11.545 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.800 5.101 13.302 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.939 6.128 13.855 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.364 6.573 14.824 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.360 7.842 14.084 1.00 0.00 H new ATOM 1749 N GLU A 105 7.162 10.659 12.233 1.00 0.00 N ATOM 1750 CA GLU A 105 8.426 11.406 12.229 1.00 0.00 C ATOM 1751 C GLU A 105 9.632 10.494 12.450 1.00 0.00 C ATOM 1752 O GLU A 105 10.551 10.462 11.635 1.00 0.00 O ATOM 1753 CB GLU A 105 8.424 12.530 13.267 1.00 0.00 C ATOM 1754 CG GLU A 105 7.495 13.678 12.920 1.00 0.00 C ATOM 1755 CD GLU A 105 7.673 14.858 13.850 1.00 0.00 C ATOM 1756 OE1 GLU A 105 8.603 15.662 13.628 1.00 0.00 O ATOM 1757 OE2 GLU A 105 6.890 14.989 14.812 1.00 0.00 O ATOM 0 H GLU A 105 6.689 10.655 11.329 1.00 0.00 H new ATOM 0 HA GLU A 105 8.514 11.851 11.238 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.134 12.119 14.234 1.00 0.00 H new ATOM 0 HB3 GLU A 105 9.438 12.915 13.375 1.00 0.00 H new ATOM 0 HG2 GLU A 105 7.680 13.995 11.894 1.00 0.00 H new ATOM 0 HG3 GLU A 105 6.462 13.334 12.966 1.00 0.00 H new ATOM 1764 N GLY A 106 9.628 9.755 13.549 1.00 0.00 N ATOM 1765 CA GLY A 106 10.744 8.894 13.875 1.00 0.00 C ATOM 1766 C GLY A 106 10.584 8.260 15.236 1.00 0.00 C ATOM 1767 O GLY A 106 11.514 8.256 16.041 1.00 0.00 O ATOM 0 H GLY A 106 8.865 9.737 14.225 1.00 0.00 H new ATOM 0 HA2 GLY A 106 10.834 8.114 13.119 1.00 0.00 H new ATOM 0 HA3 GLY A 106 11.668 9.471 13.849 1.00 0.00 H new ATOM 1771 N ALA A 107 9.392 7.733 15.496 1.00 0.00 N ATOM 1772 CA ALA A 107 9.106 7.061 16.758 1.00 0.00 C ATOM 1773 C ALA A 107 10.004 5.841 16.934 1.00 0.00 C ATOM 1774 O ALA A 107 10.364 5.474 18.051 1.00 0.00 O ATOM 1775 CB ALA A 107 7.639 6.659 16.826 1.00 0.00 C ATOM 0 H ALA A 107 8.606 7.759 14.847 1.00 0.00 H new ATOM 0 HA ALA A 107 9.312 7.757 17.572 1.00 0.00 H new ATOM 0 HB1 ALA A 107 7.442 6.159 17.774 1.00 0.00 H new ATOM 0 HB2 ALA A 107 7.014 7.549 16.749 1.00 0.00 H new ATOM 0 HB3 ALA A 107 7.409 5.981 16.004 1.00 0.00 H new ATOM 1781 N VAL A 108 10.366 5.226 15.819 1.00 0.00 N ATOM 1782 CA VAL A 108 11.284 4.102 15.822 1.00 0.00 C ATOM 1783 C VAL A 108 12.219 4.205 14.620 1.00 0.00 C ATOM 1784 O VAL A 108 11.778 4.473 13.502 1.00 0.00 O ATOM 1785 CB VAL A 108 10.528 2.747 15.811 1.00 0.00 C ATOM 1786 CG1 VAL A 108 9.603 2.638 14.605 1.00 0.00 C ATOM 1787 CG2 VAL A 108 11.507 1.582 15.848 1.00 0.00 C ATOM 0 H VAL A 108 10.033 5.491 14.892 1.00 0.00 H new ATOM 0 HA VAL A 108 11.869 4.138 16.741 1.00 0.00 H new ATOM 0 HB VAL A 108 9.910 2.704 16.708 1.00 0.00 H new ATOM 0 HG11 VAL A 108 9.088 1.677 14.627 1.00 0.00 H new ATOM 0 HG12 VAL A 108 8.869 3.444 14.635 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.189 2.715 13.689 1.00 0.00 H new ATOM 0 HG21 VAL A 108 10.955 0.642 15.840 1.00 0.00 H new ATOM 0 HG22 VAL A 108 12.160 1.627 14.976 1.00 0.00 H new ATOM 0 HG23 VAL A 108 12.109 1.641 16.755 1.00 0.00 H new ATOM 1797 N GLN A 109 13.510 4.033 14.865 1.00 0.00 N ATOM 1798 CA GLN A 109 14.512 4.130 13.812 1.00 0.00 C ATOM 1799 C GLN A 109 15.449 2.929 13.872 1.00 0.00 C ATOM 1800 O GLN A 109 15.297 2.068 14.738 1.00 0.00 O ATOM 1801 CB GLN A 109 15.308 5.433 13.951 1.00 0.00 C ATOM 1802 CG GLN A 109 14.470 6.687 13.735 1.00 0.00 C ATOM 1803 CD GLN A 109 15.272 7.967 13.888 1.00 0.00 C ATOM 1804 OE1 GLN A 109 16.236 8.024 14.652 1.00 0.00 O ATOM 1805 NE2 GLN A 109 14.881 9.003 13.160 1.00 0.00 N ATOM 0 H GLN A 109 13.890 3.825 15.788 1.00 0.00 H new ATOM 0 HA GLN A 109 14.007 4.135 12.846 1.00 0.00 H new ATOM 0 HB2 GLN A 109 15.755 5.472 14.945 1.00 0.00 H new ATOM 0 HB3 GLN A 109 16.128 5.426 13.233 1.00 0.00 H new ATOM 0 HG2 GLN A 109 14.030 6.657 12.738 1.00 0.00 H new ATOM 0 HG3 GLN A 109 13.645 6.694 14.447 1.00 0.00 H new ATOM 0 HE21 GLN A 109 14.077 8.915 12.539 1.00 0.00 H new ATOM 0 HE22 GLN A 109 15.384 9.888 13.221 1.00 0.00 H new ATOM 1814 N LYS A 110 16.419 2.881 12.961 1.00 0.00 N ATOM 1815 CA LYS A 110 17.382 1.778 12.901 1.00 0.00 C ATOM 1816 C LYS A 110 18.189 1.665 14.195 1.00 0.00 C ATOM 1817 O LYS A 110 18.672 0.587 14.550 1.00 0.00 O ATOM 1818 CB LYS A 110 18.334 1.971 11.720 1.00 0.00 C ATOM 1819 CG LYS A 110 17.641 2.002 10.369 1.00 0.00 C ATOM 1820 CD LYS A 110 18.622 2.321 9.252 1.00 0.00 C ATOM 1821 CE LYS A 110 17.925 2.441 7.905 1.00 0.00 C ATOM 1822 NZ LYS A 110 17.262 1.173 7.500 1.00 0.00 N ATOM 0 H LYS A 110 16.561 3.597 12.249 1.00 0.00 H new ATOM 0 HA LYS A 110 16.817 0.855 12.769 1.00 0.00 H new ATOM 0 HB2 LYS A 110 18.883 2.903 11.857 1.00 0.00 H new ATOM 0 HB3 LYS A 110 19.068 1.165 11.722 1.00 0.00 H new ATOM 0 HG2 LYS A 110 17.170 1.038 10.178 1.00 0.00 H new ATOM 0 HG3 LYS A 110 16.847 2.748 10.382 1.00 0.00 H new ATOM 0 HD2 LYS A 110 19.139 3.253 9.478 1.00 0.00 H new ATOM 0 HD3 LYS A 110 19.381 1.540 9.200 1.00 0.00 H new ATOM 0 HE2 LYS A 110 17.183 3.238 7.952 1.00 0.00 H new ATOM 0 HE3 LYS A 110 18.653 2.727 7.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 16.918 1.258 6.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 17.944 0.390 7.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 16.460 0.983 8.134 1.00 0.00 H new ATOM 1836 N LEU A 111 18.330 2.782 14.893 1.00 0.00 N ATOM 1837 CA LEU A 111 19.075 2.820 16.144 1.00 0.00 C ATOM 1838 C LEU A 111 18.264 2.193 17.278 1.00 0.00 C ATOM 1839 O LEU A 111 18.813 1.783 18.304 1.00 0.00 O ATOM 1840 CB LEU A 111 19.430 4.268 16.494 1.00 0.00 C ATOM 1841 CG LEU A 111 20.301 4.450 17.739 1.00 0.00 C ATOM 1842 CD1 LEU A 111 21.676 3.835 17.526 1.00 0.00 C ATOM 1843 CD2 LEU A 111 20.422 5.922 18.088 1.00 0.00 C ATOM 0 H LEU A 111 17.936 3.680 14.612 1.00 0.00 H new ATOM 0 HA LEU A 111 19.992 2.244 16.018 1.00 0.00 H new ATOM 0 HB2 LEU A 111 19.945 4.713 15.643 1.00 0.00 H new ATOM 0 HB3 LEU A 111 18.505 4.827 16.634 1.00 0.00 H new ATOM 0 HG LEU A 111 19.824 3.935 18.573 1.00 0.00 H new ATOM 0 HD11 LEU A 111 22.280 3.975 18.422 1.00 0.00 H new ATOM 0 HD12 LEU A 111 21.570 2.769 17.322 1.00 0.00 H new ATOM 0 HD13 LEU A 111 22.164 4.319 16.680 1.00 0.00 H new ATOM 0 HD21 LEU A 111 21.044 6.036 18.976 1.00 0.00 H new ATOM 0 HD22 LEU A 111 20.877 6.457 17.255 1.00 0.00 H new ATOM 0 HD23 LEU A 111 19.431 6.332 18.285 1.00 0.00 H new ATOM 1855 N GLU A 112 16.958 2.100 17.072 1.00 0.00 N ATOM 1856 CA GLU A 112 16.055 1.600 18.094 1.00 0.00 C ATOM 1857 C GLU A 112 15.615 0.177 17.797 1.00 0.00 C ATOM 1858 O GLU A 112 15.755 -0.316 16.678 1.00 0.00 O ATOM 1859 CB GLU A 112 14.834 2.511 18.219 1.00 0.00 C ATOM 1860 CG GLU A 112 15.110 3.773 19.013 1.00 0.00 C ATOM 1861 CD GLU A 112 15.487 3.468 20.447 1.00 0.00 C ATOM 1862 OE1 GLU A 112 14.573 3.304 21.283 1.00 0.00 O ATOM 1863 OE2 GLU A 112 16.694 3.377 20.747 1.00 0.00 O ATOM 0 H GLU A 112 16.500 2.366 16.200 1.00 0.00 H new ATOM 0 HA GLU A 112 16.596 1.596 19.040 1.00 0.00 H new ATOM 0 HB2 GLU A 112 14.489 2.785 17.222 1.00 0.00 H new ATOM 0 HB3 GLU A 112 14.024 1.959 18.696 1.00 0.00 H new ATOM 0 HG2 GLU A 112 15.916 4.332 18.537 1.00 0.00 H new ATOM 0 HG3 GLU A 112 14.227 4.412 18.998 1.00 0.00 H new ATOM 1870 N HIS A 113 15.096 -0.483 18.819 1.00 0.00 N ATOM 1871 CA HIS A 113 14.605 -1.844 18.693 1.00 0.00 C ATOM 1872 C HIS A 113 13.283 -1.979 19.435 1.00 0.00 C ATOM 1873 O HIS A 113 12.836 -1.034 20.085 1.00 0.00 O ATOM 1874 CB HIS A 113 15.632 -2.847 19.240 1.00 0.00 C ATOM 1875 CG HIS A 113 16.908 -2.888 18.456 1.00 0.00 C ATOM 1876 ND1 HIS A 113 17.143 -3.788 17.439 1.00 0.00 N ATOM 1877 CD2 HIS A 113 18.021 -2.121 18.537 1.00 0.00 C ATOM 1878 CE1 HIS A 113 18.340 -3.570 16.930 1.00 0.00 C ATOM 1879 NE2 HIS A 113 18.894 -2.563 17.576 1.00 0.00 N ATOM 0 H HIS A 113 15.004 -0.091 19.756 1.00 0.00 H new ATOM 0 HA HIS A 113 14.448 -2.066 17.637 1.00 0.00 H new ATOM 0 HB2 HIS A 113 15.860 -2.593 20.275 1.00 0.00 H new ATOM 0 HB3 HIS A 113 15.187 -3.842 19.247 1.00 0.00 H new ATOM 0 HD2 HIS A 113 18.190 -1.311 19.231 1.00 0.00 H new ATOM 0 HE1 HIS A 113 18.791 -4.124 16.120 1.00 0.00 H new ATOM 0 HE2 HIS A 113 19.820 -2.176 17.391 1.00 0.00 H new ATOM 1888 N HIS A 114 12.666 -3.149 19.341 1.00 0.00 N ATOM 1889 CA HIS A 114 11.380 -3.394 19.988 1.00 0.00 C ATOM 1890 C HIS A 114 11.564 -3.597 21.486 1.00 0.00 C ATOM 1891 O HIS A 114 10.626 -3.442 22.264 1.00 0.00 O ATOM 1892 CB HIS A 114 10.684 -4.609 19.362 1.00 0.00 C ATOM 1893 CG HIS A 114 10.323 -4.412 17.921 1.00 0.00 C ATOM 1894 ND1 HIS A 114 11.238 -4.526 16.899 1.00 0.00 N ATOM 1895 CD2 HIS A 114 9.146 -4.094 17.332 1.00 0.00 C ATOM 1896 CE1 HIS A 114 10.644 -4.285 15.750 1.00 0.00 C ATOM 1897 NE2 HIS A 114 9.374 -4.023 15.980 1.00 0.00 N ATOM 0 H HIS A 114 13.035 -3.946 18.822 1.00 0.00 H new ATOM 0 HA HIS A 114 10.748 -2.519 19.835 1.00 0.00 H new ATOM 0 HB2 HIS A 114 11.337 -5.477 19.450 1.00 0.00 H new ATOM 0 HB3 HIS A 114 9.780 -4.832 19.928 1.00 0.00 H new ATOM 0 HD2 HIS A 114 8.204 -3.927 17.832 1.00 0.00 H new ATOM 0 HE1 HIS A 114 11.119 -4.300 14.780 1.00 0.00 H new ATOM 0 HE2 HIS A 114 8.675 -3.803 15.270 1.00 0.00 H new ATOM 1906 N HIS A 115 12.777 -3.959 21.878 1.00 0.00 N ATOM 1907 CA HIS A 115 13.127 -4.057 23.286 1.00 0.00 C ATOM 1908 C HIS A 115 14.220 -3.054 23.626 1.00 0.00 C ATOM 1909 O HIS A 115 15.402 -3.301 23.382 1.00 0.00 O ATOM 1910 CB HIS A 115 13.587 -5.472 23.646 1.00 0.00 C ATOM 1911 CG HIS A 115 12.485 -6.484 23.616 1.00 0.00 C ATOM 1912 ND1 HIS A 115 12.535 -7.632 22.856 1.00 0.00 N ATOM 1913 CD2 HIS A 115 11.302 -6.519 24.271 1.00 0.00 C ATOM 1914 CE1 HIS A 115 11.429 -8.328 23.044 1.00 0.00 C ATOM 1915 NE2 HIS A 115 10.667 -7.673 23.897 1.00 0.00 N ATOM 0 H HIS A 115 13.537 -4.190 21.238 1.00 0.00 H new ATOM 0 HA HIS A 115 12.235 -3.830 23.870 1.00 0.00 H new ATOM 0 HB2 HIS A 115 14.370 -5.778 22.952 1.00 0.00 H new ATOM 0 HB3 HIS A 115 14.031 -5.459 24.642 1.00 0.00 H new ATOM 0 HD2 HIS A 115 10.928 -5.776 24.960 1.00 0.00 H new ATOM 0 HE1 HIS A 115 11.190 -9.273 22.578 1.00 0.00 H new ATOM 0 HE2 HIS A 115 9.751 -7.977 24.226 1.00 0.00 H new ATOM 1924 N HIS A 116 13.821 -1.911 24.158 1.00 0.00 N ATOM 1925 CA HIS A 116 14.774 -0.884 24.550 1.00 0.00 C ATOM 1926 C HIS A 116 15.177 -1.093 26.005 1.00 0.00 C ATOM 1927 O HIS A 116 14.528 -0.588 26.919 1.00 0.00 O ATOM 1928 CB HIS A 116 14.174 0.518 24.343 1.00 0.00 C ATOM 1929 CG HIS A 116 15.123 1.652 24.621 1.00 0.00 C ATOM 1930 ND1 HIS A 116 15.512 2.567 23.667 1.00 0.00 N ATOM 1931 CD2 HIS A 116 15.745 2.028 25.765 1.00 0.00 C ATOM 1932 CE1 HIS A 116 16.329 3.449 24.211 1.00 0.00 C ATOM 1933 NE2 HIS A 116 16.487 3.147 25.486 1.00 0.00 N ATOM 0 H HIS A 116 12.845 -1.670 24.329 1.00 0.00 H new ATOM 0 HA HIS A 116 15.662 -0.961 23.923 1.00 0.00 H new ATOM 0 HB2 HIS A 116 13.822 0.600 23.315 1.00 0.00 H new ATOM 0 HB3 HIS A 116 13.302 0.625 24.988 1.00 0.00 H new ATOM 0 HD1 HIS A 116 15.215 2.563 22.691 1.00 0.00 H new ATOM 0 HD2 HIS A 116 15.670 1.535 26.723 1.00 0.00 H new ATOM 0 HE1 HIS A 116 16.791 4.280 23.698 1.00 0.00 H new ATOM 1942 N HIS A 117 16.225 -1.872 26.212 1.00 0.00 N ATOM 1943 CA HIS A 117 16.731 -2.130 27.554 1.00 0.00 C ATOM 1944 C HIS A 117 18.102 -1.490 27.725 1.00 0.00 C ATOM 1945 O HIS A 117 18.935 -1.550 26.823 1.00 0.00 O ATOM 1946 CB HIS A 117 16.813 -3.641 27.820 1.00 0.00 C ATOM 1947 CG HIS A 117 17.314 -3.992 29.193 1.00 0.00 C ATOM 1948 ND1 HIS A 117 18.624 -4.339 29.453 1.00 0.00 N ATOM 1949 CD2 HIS A 117 16.674 -4.048 30.385 1.00 0.00 C ATOM 1950 CE1 HIS A 117 18.766 -4.588 30.740 1.00 0.00 C ATOM 1951 NE2 HIS A 117 17.600 -4.420 31.329 1.00 0.00 N ATOM 0 H HIS A 117 16.744 -2.338 25.468 1.00 0.00 H new ATOM 0 HA HIS A 117 16.042 -1.691 28.276 1.00 0.00 H new ATOM 0 HB2 HIS A 117 15.824 -4.078 27.682 1.00 0.00 H new ATOM 0 HB3 HIS A 117 17.469 -4.096 27.078 1.00 0.00 H new ATOM 0 HD2 HIS A 117 15.629 -3.839 30.561 1.00 0.00 H new ATOM 0 HE1 HIS A 117 19.684 -4.880 31.229 1.00 0.00 H new ATOM 0 HE2 HIS A 117 17.415 -4.546 32.324 1.00 0.00 H new ATOM 1960 N HIS A 118 18.324 -0.864 28.868 1.00 0.00 N ATOM 1961 CA HIS A 118 19.617 -0.276 29.168 1.00 0.00 C ATOM 1962 C HIS A 118 20.459 -1.254 29.976 1.00 0.00 C ATOM 1963 O HIS A 118 21.269 -1.983 29.369 1.00 0.00 O ATOM 1964 CB HIS A 118 19.460 1.041 29.934 1.00 0.00 C ATOM 1965 CG HIS A 118 20.760 1.756 30.138 1.00 0.00 C ATOM 1966 ND1 HIS A 118 21.332 2.548 29.171 1.00 0.00 N ATOM 1967 CD2 HIS A 118 21.610 1.773 31.190 1.00 0.00 C ATOM 1968 CE1 HIS A 118 22.479 3.020 29.614 1.00 0.00 C ATOM 1969 NE2 HIS A 118 22.673 2.566 30.837 1.00 0.00 N ATOM 1970 OXT HIS A 118 20.299 -1.300 31.209 1.00 0.00 O ATOM 0 H HIS A 118 17.626 -0.750 29.603 1.00 0.00 H new ATOM 0 HA HIS A 118 20.120 -0.062 28.225 1.00 0.00 H new ATOM 0 HB2 HIS A 118 18.775 1.692 29.391 1.00 0.00 H new ATOM 0 HB3 HIS A 118 19.006 0.839 30.904 1.00 0.00 H new ATOM 0 HD2 HIS A 118 21.477 1.259 32.131 1.00 0.00 H new ATOM 0 HE1 HIS A 118 23.148 3.669 29.068 1.00 0.00 H new ATOM 0 HE2 HIS A 118 23.481 2.771 31.425 1.00 0.00 H new TER 1979 HIS A 118