USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 820 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 53 ASN : amide:sc= -0.81 K(o=-3.4,f=-7!) USER MOD Set 1.2: A 73 ASN :FLIP amide:sc= -2.57! C(o=-8.1!,f=-3.4!) USER MOD Set 2.1: A 3 GLN :FLIP amide:sc= -2.77 F(o=-5.9!,f=-3.6) USER MOD Set 2.2: A 66 TYR OH : rot 180:sc= -0.822 USER MOD Single : A 1 MET CE :methyl 179:sc= 0 (180deg=-0.000354) USER MOD Single : A 1 MET N :NH3+ 165:sc= -0.203 (180deg=-0.844) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 154:sc= -0.0687 (180deg=-0.491) USER MOD Single : A 9 SER OG : rot 91:sc= 0.788 USER MOD Single : A 12 LYS NZ :NH3+ -166:sc=-0.000874 (180deg=-0.133) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.252 X(o=-0.25,f=-0.1) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 154:sc= -0.238 (180deg=-1.2!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -1.66 K(o=-1.7,f=-3.9!) USER MOD Single : A 24 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.142) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0178) USER MOD Single : A 30 ASN :FLIP amide:sc= -0.993! C(o=-2.5!,f=-0.99!) USER MOD Single : A 35 LYS NZ :NH3+ -150:sc= -1.29 (180deg=-1.93) USER MOD Single : A 36 ASN : amide:sc= -3.89! C(o=-3.9!,f=-4.6!) USER MOD Single : A 37 ASN : amide:sc= -0.695 K(o=-0.69,f=-4.3!) USER MOD Single : A 45 ASN : amide:sc= -0.239 K(o=-0.24,f=-1.6!) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN :FLIP amide:sc= -0.429 F(o=-3.4!,f=-0.43) USER MOD Single : A 56 SER OG : rot 69:sc= 1.05 USER MOD Single : A 60 HIS : no HD1:sc= -1.05 K(o=-1.1,f=-3!) USER MOD Single : A 64 SER OG : rot 180:sc= -0.0135 USER MOD Single : A 70 LYS NZ :NH3+ 161:sc= -0.0994 (180deg=-0.646) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.775! C(o=-0.78!,f=-8.3!) USER MOD Single : A 78 GLN : amide:sc= -0.0435 X(o=-0.044,f=0) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ -148:sc= -0.226 (180deg=-1.23!) USER MOD Single : A 90 ASN :FLIP amide:sc= -1.51 F(o=-6.2!,f=-1.5) USER MOD Single : A 91 SER OG : rot -74:sc= 1.1 USER MOD Single : A 94 THR OG1 : rot -56:sc= 0.423 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 ASN : amide:sc= -3.83! C(o=-3.8!,f=-5.1!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.005 14.745 -4.240 1.00 0.00 N ATOM 2 CA MET A 1 -9.459 14.835 -3.920 1.00 0.00 C ATOM 3 C MET A 1 -10.045 13.427 -3.834 1.00 0.00 C ATOM 4 O MET A 1 -10.004 12.792 -2.781 1.00 0.00 O ATOM 5 CB MET A 1 -10.172 15.639 -5.014 1.00 0.00 C ATOM 6 CG MET A 1 -9.461 15.427 -6.353 1.00 0.00 C ATOM 7 SD MET A 1 -10.518 16.030 -7.696 1.00 0.00 S ATOM 8 CE MET A 1 -10.341 14.603 -8.794 1.00 0.00 C ATOM 0 H1 MET A 1 -7.659 15.676 -4.548 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.481 14.443 -3.394 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.859 14.053 -5.002 1.00 0.00 H new ATOM 0 HA MET A 1 -9.598 15.338 -2.963 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.213 15.325 -5.090 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.176 16.698 -4.757 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.508 15.956 -6.359 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.239 14.369 -6.496 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.937 14.759 -9.693 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.293 14.484 -9.070 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.686 13.705 -8.282 1.00 0.00 H new ATOM 18 N GLU A 2 -10.587 12.947 -4.950 1.00 0.00 N ATOM 19 CA GLU A 2 -11.176 11.614 -4.988 1.00 0.00 C ATOM 20 C GLU A 2 -10.086 10.557 -5.132 1.00 0.00 C ATOM 21 O GLU A 2 -10.163 9.489 -4.531 1.00 0.00 O ATOM 22 CB GLU A 2 -12.158 11.512 -6.166 1.00 0.00 C ATOM 23 CG GLU A 2 -13.596 11.670 -5.662 1.00 0.00 C ATOM 24 CD GLU A 2 -14.573 11.529 -6.824 1.00 0.00 C ATOM 25 OE1 GLU A 2 -15.762 11.451 -6.565 1.00 0.00 O ATOM 26 OE2 GLU A 2 -14.116 11.499 -7.955 1.00 0.00 O ATOM 0 H GLU A 2 -10.630 13.457 -5.832 1.00 0.00 H new ATOM 0 HA GLU A 2 -11.712 11.441 -4.055 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -11.935 12.283 -6.904 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -12.042 10.550 -6.665 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -13.809 10.917 -4.903 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -13.719 12.644 -5.188 1.00 0.00 H new ATOM 33 N GLN A 3 -9.078 10.864 -5.941 1.00 0.00 N ATOM 34 CA GLN A 3 -7.975 9.940 -6.172 1.00 0.00 C ATOM 35 C GLN A 3 -7.533 9.281 -4.875 1.00 0.00 C ATOM 36 O GLN A 3 -7.880 8.132 -4.600 1.00 0.00 O ATOM 37 CB GLN A 3 -6.792 10.693 -6.787 1.00 0.00 C ATOM 38 CG GLN A 3 -5.635 9.716 -7.047 1.00 0.00 C ATOM 39 CD GLN A 3 -4.890 10.109 -8.320 1.00 0.00 C ATOM 40 OE1 GLN A 3 -4.798 9.254 -9.301 1.00 0.00 O flip ATOM 41 NE2 GLN A 3 -4.382 11.226 -8.424 1.00 0.00 N flip ATOM 0 H GLN A 3 -9.002 11.746 -6.448 1.00 0.00 H new ATOM 0 HA GLN A 3 -8.319 9.164 -6.856 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -7.096 11.168 -7.720 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -6.466 11.488 -6.116 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.949 9.719 -6.200 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -6.021 8.701 -7.141 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -4.455 11.893 -7.656 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -3.888 11.484 -9.278 1.00 0.00 H new ATOM 50 N PHE A 4 -6.766 10.014 -4.079 1.00 0.00 N ATOM 51 CA PHE A 4 -6.287 9.484 -2.809 1.00 0.00 C ATOM 52 C PHE A 4 -7.426 8.778 -2.085 1.00 0.00 C ATOM 53 O PHE A 4 -7.259 7.670 -1.585 1.00 0.00 O ATOM 54 CB PHE A 4 -5.724 10.615 -1.940 1.00 0.00 C ATOM 55 CG PHE A 4 -4.662 10.069 -1.012 1.00 0.00 C ATOM 56 CD1 PHE A 4 -4.852 10.109 0.375 1.00 0.00 C ATOM 57 CD2 PHE A 4 -3.486 9.522 -1.541 1.00 0.00 C ATOM 58 CE1 PHE A 4 -3.867 9.604 1.233 1.00 0.00 C ATOM 59 CE2 PHE A 4 -2.501 9.017 -0.683 1.00 0.00 C ATOM 60 CZ PHE A 4 -2.692 9.057 0.703 1.00 0.00 C ATOM 0 H PHE A 4 -6.465 10.966 -4.286 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.489 8.767 -3.001 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.301 11.395 -2.572 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.525 11.074 -1.361 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -5.759 10.530 0.783 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.339 9.490 -2.610 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.014 9.636 2.303 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -1.594 8.597 -1.091 1.00 0.00 H new ATOM 0 HZ PHE A 4 -1.933 8.666 1.364 1.00 0.00 H new ATOM 70 N ASN A 5 -8.585 9.418 -2.046 1.00 0.00 N ATOM 71 CA ASN A 5 -9.740 8.821 -1.392 1.00 0.00 C ATOM 72 C ASN A 5 -10.095 7.494 -2.061 1.00 0.00 C ATOM 73 O ASN A 5 -10.655 6.601 -1.430 1.00 0.00 O ATOM 74 CB ASN A 5 -10.936 9.772 -1.467 1.00 0.00 C ATOM 75 CG ASN A 5 -12.014 9.330 -0.482 1.00 0.00 C ATOM 76 OD1 ASN A 5 -13.058 8.822 -0.891 1.00 0.00 O ATOM 77 ND2 ASN A 5 -11.822 9.494 0.798 1.00 0.00 N ATOM 0 H ASN A 5 -8.750 10.338 -2.453 1.00 0.00 H new ATOM 0 HA ASN A 5 -9.494 8.639 -0.346 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.618 10.789 -1.239 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -11.339 9.784 -2.480 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -12.538 9.201 1.463 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -10.956 9.915 1.134 1.00 0.00 H new ATOM 84 N ALA A 6 -9.772 7.382 -3.348 1.00 0.00 N ATOM 85 CA ALA A 6 -10.070 6.167 -4.099 1.00 0.00 C ATOM 86 C ALA A 6 -9.052 5.068 -3.798 1.00 0.00 C ATOM 87 O ALA A 6 -9.407 3.999 -3.297 1.00 0.00 O ATOM 88 CB ALA A 6 -10.064 6.469 -5.599 1.00 0.00 C ATOM 0 H ALA A 6 -9.308 8.112 -3.888 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.057 5.816 -3.796 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -10.287 5.558 -6.154 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.819 7.224 -5.821 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.082 6.841 -5.891 1.00 0.00 H new ATOM 94 N PHE A 7 -7.786 5.337 -4.100 1.00 0.00 N ATOM 95 CA PHE A 7 -6.734 4.359 -3.851 1.00 0.00 C ATOM 96 C PHE A 7 -6.650 4.056 -2.358 1.00 0.00 C ATOM 97 O PHE A 7 -6.562 2.897 -1.954 1.00 0.00 O ATOM 98 CB PHE A 7 -5.390 4.885 -4.392 1.00 0.00 C ATOM 99 CG PHE A 7 -4.314 4.777 -3.335 1.00 0.00 C ATOM 100 CD1 PHE A 7 -4.203 5.760 -2.344 1.00 0.00 C ATOM 101 CD2 PHE A 7 -3.427 3.694 -3.349 1.00 0.00 C ATOM 102 CE1 PHE A 7 -3.205 5.660 -1.367 1.00 0.00 C ATOM 103 CE2 PHE A 7 -2.429 3.593 -2.372 1.00 0.00 C ATOM 104 CZ PHE A 7 -2.318 4.576 -1.381 1.00 0.00 C ATOM 0 H PHE A 7 -7.466 6.213 -4.513 1.00 0.00 H new ATOM 0 HA PHE A 7 -6.968 3.431 -4.372 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -5.099 4.316 -5.275 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.498 5.924 -4.704 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.887 6.595 -2.333 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -3.512 2.936 -4.114 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.119 6.418 -0.603 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.745 2.757 -2.383 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.548 4.498 -0.627 1.00 0.00 H new ATOM 114 N LYS A 8 -6.696 5.103 -1.543 1.00 0.00 N ATOM 115 CA LYS A 8 -6.642 4.932 -0.097 1.00 0.00 C ATOM 116 C LYS A 8 -7.818 4.090 0.385 1.00 0.00 C ATOM 117 O LYS A 8 -7.643 3.125 1.135 1.00 0.00 O ATOM 118 CB LYS A 8 -6.689 6.294 0.596 1.00 0.00 C ATOM 119 CG LYS A 8 -6.365 6.111 2.082 1.00 0.00 C ATOM 120 CD LYS A 8 -6.295 7.478 2.776 1.00 0.00 C ATOM 121 CE LYS A 8 -7.697 7.910 3.212 1.00 0.00 C ATOM 122 NZ LYS A 8 -8.143 7.064 4.356 1.00 0.00 N ATOM 0 H LYS A 8 -6.770 6.071 -1.855 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.709 4.425 0.151 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.973 6.975 0.136 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.676 6.742 0.479 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.127 5.492 2.555 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.415 5.588 2.194 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.636 7.423 3.642 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.870 8.219 2.099 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.692 8.961 3.503 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.395 7.813 2.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.837 7.588 4.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -8.580 6.192 3.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.323 6.820 4.948 1.00 0.00 H new ATOM 136 N SER A 9 -9.026 4.455 -0.036 1.00 0.00 N ATOM 137 CA SER A 9 -10.191 3.702 0.392 1.00 0.00 C ATOM 138 C SER A 9 -10.020 2.248 -0.016 1.00 0.00 C ATOM 139 O SER A 9 -10.627 1.351 0.565 1.00 0.00 O ATOM 140 CB SER A 9 -11.474 4.282 -0.207 1.00 0.00 C ATOM 141 OG SER A 9 -11.731 5.553 0.376 1.00 0.00 O ATOM 0 H SER A 9 -9.217 5.243 -0.654 1.00 0.00 H new ATOM 0 HA SER A 9 -10.278 3.769 1.476 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.373 4.378 -1.288 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.311 3.609 -0.024 1.00 0.00 H new ATOM 0 HG SER A 9 -11.310 6.253 -0.166 1.00 0.00 H new ATOM 147 N LEU A 10 -9.160 2.019 -1.007 1.00 0.00 N ATOM 148 CA LEU A 10 -8.890 0.663 -1.460 1.00 0.00 C ATOM 149 C LEU A 10 -8.185 -0.095 -0.342 1.00 0.00 C ATOM 150 O LEU A 10 -8.442 -1.276 -0.115 1.00 0.00 O ATOM 151 CB LEU A 10 -8.000 0.692 -2.714 1.00 0.00 C ATOM 152 CG LEU A 10 -8.327 -0.494 -3.634 1.00 0.00 C ATOM 153 CD1 LEU A 10 -7.257 -0.601 -4.728 1.00 0.00 C ATOM 154 CD2 LEU A 10 -8.349 -1.796 -2.824 1.00 0.00 C ATOM 0 H LEU A 10 -8.646 2.747 -1.504 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.827 0.167 -1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.149 1.629 -3.251 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.950 0.655 -2.423 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.306 -0.334 -4.086 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.488 -1.442 -5.382 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.241 0.319 -5.312 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.281 -0.756 -4.268 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.582 -2.631 -3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.373 -1.956 -2.366 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.108 -1.727 -2.045 1.00 0.00 H new ATOM 166 N LEU A 11 -7.301 0.608 0.367 1.00 0.00 N ATOM 167 CA LEU A 11 -6.575 0.002 1.473 1.00 0.00 C ATOM 168 C LEU A 11 -7.557 -0.442 2.547 1.00 0.00 C ATOM 169 O LEU A 11 -7.457 -1.551 3.064 1.00 0.00 O ATOM 170 CB LEU A 11 -5.568 0.996 2.074 1.00 0.00 C ATOM 171 CG LEU A 11 -4.230 0.909 1.327 1.00 0.00 C ATOM 172 CD1 LEU A 11 -3.515 2.261 1.404 1.00 0.00 C ATOM 173 CD2 LEU A 11 -3.352 -0.168 1.976 1.00 0.00 C ATOM 0 H LEU A 11 -7.075 1.588 0.194 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.027 -0.862 1.096 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.964 2.010 2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.418 0.779 3.131 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.412 0.651 0.284 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.565 2.201 0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.138 3.029 0.945 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.333 2.517 2.448 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.402 -0.231 1.446 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.170 0.091 3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.860 -1.131 1.925 1.00 0.00 H new ATOM 185 N LYS A 12 -8.516 0.424 2.876 1.00 0.00 N ATOM 186 CA LYS A 12 -9.510 0.074 3.893 1.00 0.00 C ATOM 187 C LYS A 12 -9.906 -1.394 3.739 1.00 0.00 C ATOM 188 O LYS A 12 -9.824 -2.172 4.688 1.00 0.00 O ATOM 189 CB LYS A 12 -10.749 0.963 3.760 1.00 0.00 C ATOM 190 CG LYS A 12 -10.401 2.393 4.180 1.00 0.00 C ATOM 191 CD LYS A 12 -11.647 3.276 4.078 1.00 0.00 C ATOM 192 CE LYS A 12 -11.326 4.675 4.606 1.00 0.00 C ATOM 193 NZ LYS A 12 -11.259 4.641 6.095 1.00 0.00 N ATOM 0 H LYS A 12 -8.626 1.351 2.465 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.074 0.231 4.880 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.108 0.952 2.731 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.555 0.576 4.383 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.020 2.400 5.201 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.610 2.788 3.542 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.980 3.335 3.042 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.464 2.838 4.651 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.377 5.021 4.196 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.090 5.382 4.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.279 5.613 6.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.073 4.112 6.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.378 4.175 6.392 1.00 0.00 H new ATOM 207 N LYS A 13 -10.306 -1.765 2.527 1.00 0.00 N ATOM 208 CA LYS A 13 -10.678 -3.147 2.241 1.00 0.00 C ATOM 209 C LYS A 13 -9.549 -4.078 2.678 1.00 0.00 C ATOM 210 O LYS A 13 -9.786 -5.136 3.263 1.00 0.00 O ATOM 211 CB LYS A 13 -10.933 -3.311 0.735 1.00 0.00 C ATOM 212 CG LYS A 13 -12.422 -3.095 0.429 1.00 0.00 C ATOM 213 CD LYS A 13 -13.186 -4.408 0.622 1.00 0.00 C ATOM 214 CE LYS A 13 -14.690 -4.130 0.615 1.00 0.00 C ATOM 215 NZ LYS A 13 -15.433 -5.419 0.512 1.00 0.00 N ATOM 0 H LYS A 13 -10.381 -1.132 1.731 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.587 -3.400 2.788 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.331 -2.595 0.176 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.627 -4.306 0.412 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -12.830 -2.326 1.085 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.545 -2.739 -0.594 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.932 -5.109 -0.173 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.896 -4.875 1.564 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -14.978 -3.604 1.525 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -14.947 -3.482 -0.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -16.456 -5.231 0.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -15.166 -5.904 -0.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -15.196 -6.022 1.325 1.00 0.00 H new ATOM 229 N HIS A 14 -8.321 -3.661 2.392 1.00 0.00 N ATOM 230 CA HIS A 14 -7.139 -4.434 2.757 1.00 0.00 C ATOM 231 C HIS A 14 -6.977 -4.487 4.273 1.00 0.00 C ATOM 232 O HIS A 14 -7.023 -5.558 4.878 1.00 0.00 O ATOM 233 CB HIS A 14 -5.897 -3.783 2.141 1.00 0.00 C ATOM 234 CG HIS A 14 -4.751 -4.758 2.159 1.00 0.00 C ATOM 235 ND1 HIS A 14 -3.546 -4.493 1.528 1.00 0.00 N ATOM 236 CD2 HIS A 14 -4.612 -6.001 2.726 1.00 0.00 C ATOM 237 CE1 HIS A 14 -2.741 -5.553 1.727 1.00 0.00 C ATOM 238 NE2 HIS A 14 -3.342 -6.501 2.451 1.00 0.00 N ATOM 0 H HIS A 14 -8.117 -2.788 1.906 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.257 -5.450 2.380 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -6.107 -3.473 1.117 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -5.631 -2.885 2.698 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -5.372 -6.513 3.298 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -1.733 -5.628 1.348 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -2.954 -7.399 2.740 1.00 0.00 H new ATOM 247 N TYR A 15 -6.780 -3.319 4.877 1.00 0.00 N ATOM 248 CA TYR A 15 -6.600 -3.219 6.319 1.00 0.00 C ATOM 249 C TYR A 15 -7.949 -3.072 7.020 1.00 0.00 C ATOM 250 O TYR A 15 -8.039 -2.470 8.091 1.00 0.00 O ATOM 251 CB TYR A 15 -5.720 -2.004 6.640 1.00 0.00 C ATOM 252 CG TYR A 15 -4.258 -2.392 6.574 1.00 0.00 C ATOM 253 CD1 TYR A 15 -3.759 -3.067 5.452 1.00 0.00 C ATOM 254 CD2 TYR A 15 -3.404 -2.076 7.637 1.00 0.00 C ATOM 255 CE1 TYR A 15 -2.407 -3.427 5.397 1.00 0.00 C ATOM 256 CE2 TYR A 15 -2.052 -2.435 7.580 1.00 0.00 C ATOM 257 CZ TYR A 15 -1.554 -3.111 6.461 1.00 0.00 C ATOM 258 OH TYR A 15 -0.221 -3.466 6.406 1.00 0.00 O ATOM 0 H TYR A 15 -6.741 -2.426 4.386 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.119 -4.129 6.676 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.924 -1.200 5.933 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -5.959 -1.623 7.633 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -4.417 -3.309 4.630 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -3.788 -1.555 8.502 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.022 -3.949 4.533 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.393 -2.190 8.400 1.00 0.00 H new ATOM 0 HH TYR A 15 0.230 -3.171 7.225 1.00 0.00 H new ATOM 268 N GLU A 16 -8.997 -3.622 6.416 1.00 0.00 N ATOM 269 CA GLU A 16 -10.328 -3.537 7.006 1.00 0.00 C ATOM 270 C GLU A 16 -10.285 -3.939 8.476 1.00 0.00 C ATOM 271 O GLU A 16 -10.633 -3.152 9.356 1.00 0.00 O ATOM 272 CB GLU A 16 -11.296 -4.450 6.252 1.00 0.00 C ATOM 273 CG GLU A 16 -12.735 -4.103 6.643 1.00 0.00 C ATOM 274 CD GLU A 16 -13.693 -5.157 6.098 1.00 0.00 C ATOM 275 OE1 GLU A 16 -14.224 -4.945 5.020 1.00 0.00 O ATOM 276 OE2 GLU A 16 -13.882 -6.160 6.766 1.00 0.00 O ATOM 0 H GLU A 16 -8.953 -4.125 5.530 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.674 -2.506 6.931 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.161 -4.332 5.177 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -11.086 -5.493 6.487 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.822 -4.047 7.728 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -13.000 -3.121 6.251 1.00 0.00 H new ATOM 283 N LYS A 17 -9.850 -5.168 8.736 1.00 0.00 N ATOM 284 CA LYS A 17 -9.760 -5.661 10.105 1.00 0.00 C ATOM 285 C LYS A 17 -8.484 -5.152 10.767 1.00 0.00 C ATOM 286 O LYS A 17 -8.136 -5.567 11.872 1.00 0.00 O ATOM 287 CB LYS A 17 -9.767 -7.191 10.112 1.00 0.00 C ATOM 288 CG LYS A 17 -11.038 -7.701 9.428 1.00 0.00 C ATOM 289 CD LYS A 17 -10.938 -9.215 9.226 1.00 0.00 C ATOM 290 CE LYS A 17 -12.105 -9.692 8.359 1.00 0.00 C ATOM 291 NZ LYS A 17 -12.091 -8.960 7.062 1.00 0.00 N ATOM 0 H LYS A 17 -9.557 -5.836 8.023 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.621 -5.294 10.664 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.886 -7.571 9.595 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.720 -7.560 11.136 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.911 -7.461 10.035 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.171 -7.203 8.467 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.990 -9.467 8.750 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.956 -9.723 10.190 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.027 -10.765 8.184 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -13.050 -9.521 8.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.553 -9.539 6.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.603 -8.060 7.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.108 -8.769 6.782 1.00 0.00 H new ATOM 305 N THR A 18 -7.790 -4.248 10.079 1.00 0.00 N ATOM 306 CA THR A 18 -6.549 -3.679 10.597 1.00 0.00 C ATOM 307 C THR A 18 -6.619 -2.155 10.590 1.00 0.00 C ATOM 308 O THR A 18 -5.746 -1.487 10.033 1.00 0.00 O ATOM 309 CB THR A 18 -5.368 -4.142 9.737 1.00 0.00 C ATOM 310 OG1 THR A 18 -5.506 -5.527 9.453 1.00 0.00 O ATOM 311 CG2 THR A 18 -4.058 -3.901 10.488 1.00 0.00 C ATOM 0 H THR A 18 -8.066 -3.894 9.163 1.00 0.00 H new ATOM 0 HA THR A 18 -6.410 -4.021 11.622 1.00 0.00 H new ATOM 0 HB THR A 18 -5.356 -3.578 8.804 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.752 -5.825 8.902 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.220 -4.231 9.874 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.953 -2.838 10.704 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.066 -4.462 11.423 1.00 0.00 H new ATOM 319 N ILE A 19 -7.663 -1.609 11.208 1.00 0.00 N ATOM 320 CA ILE A 19 -7.836 -0.160 11.262 1.00 0.00 C ATOM 321 C ILE A 19 -7.041 0.440 12.417 1.00 0.00 C ATOM 322 O ILE A 19 -6.159 1.270 12.201 1.00 0.00 O ATOM 323 CB ILE A 19 -9.319 0.191 11.416 1.00 0.00 C ATOM 324 CG1 ILE A 19 -9.473 1.712 11.507 1.00 0.00 C ATOM 325 CG2 ILE A 19 -9.882 -0.457 12.688 1.00 0.00 C ATOM 326 CD1 ILE A 19 -10.941 2.089 11.308 1.00 0.00 C ATOM 0 H ILE A 19 -8.396 -2.143 11.675 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.462 0.261 10.328 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.868 -0.184 10.552 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -9.124 2.066 12.477 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.856 2.197 10.750 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -10.937 -0.202 12.790 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.775 -1.540 12.623 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.335 -0.090 13.556 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.051 3.172 11.373 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -11.274 1.749 10.328 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -11.546 1.616 12.081 1.00 0.00 H new ATOM 338 N GLY A 20 -7.360 0.022 13.643 1.00 0.00 N ATOM 339 CA GLY A 20 -6.667 0.534 14.825 1.00 0.00 C ATOM 340 C GLY A 20 -5.235 0.931 14.487 1.00 0.00 C ATOM 341 O GLY A 20 -4.871 2.105 14.569 1.00 0.00 O ATOM 0 H GLY A 20 -8.088 -0.664 13.842 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.204 1.396 15.221 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.663 -0.226 15.607 1.00 0.00 H new ATOM 345 N PHE A 21 -4.432 -0.052 14.094 1.00 0.00 N ATOM 346 CA PHE A 21 -3.044 0.211 13.729 1.00 0.00 C ATOM 347 C PHE A 21 -2.958 1.507 12.928 1.00 0.00 C ATOM 348 O PHE A 21 -2.153 2.387 13.230 1.00 0.00 O ATOM 349 CB PHE A 21 -2.497 -0.955 12.897 1.00 0.00 C ATOM 350 CG PHE A 21 -1.166 -0.575 12.286 1.00 0.00 C ATOM 351 CD1 PHE A 21 -1.061 -0.378 10.904 1.00 0.00 C ATOM 352 CD2 PHE A 21 -0.038 -0.424 13.103 1.00 0.00 C ATOM 353 CE1 PHE A 21 0.173 -0.029 10.338 1.00 0.00 C ATOM 354 CE2 PHE A 21 1.194 -0.074 12.536 1.00 0.00 C ATOM 355 CZ PHE A 21 1.297 0.123 11.155 1.00 0.00 C ATOM 0 H PHE A 21 -4.714 -1.029 14.020 1.00 0.00 H new ATOM 0 HA PHE A 21 -2.447 0.312 14.635 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.379 -1.837 13.526 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.206 -1.216 12.111 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.930 -0.495 10.274 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.118 -0.577 14.169 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.255 0.122 9.272 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.064 0.044 13.165 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.247 0.393 10.719 1.00 0.00 H new ATOM 365 N HIS A 22 -3.806 1.616 11.912 1.00 0.00 N ATOM 366 CA HIS A 22 -3.834 2.809 11.076 1.00 0.00 C ATOM 367 C HIS A 22 -4.232 4.029 11.903 1.00 0.00 C ATOM 368 O HIS A 22 -3.459 4.979 12.028 1.00 0.00 O ATOM 369 CB HIS A 22 -4.824 2.622 9.925 1.00 0.00 C ATOM 370 CG HIS A 22 -4.710 3.779 8.973 1.00 0.00 C ATOM 371 ND1 HIS A 22 -5.190 5.041 9.286 1.00 0.00 N ATOM 372 CD2 HIS A 22 -4.179 3.882 7.712 1.00 0.00 C ATOM 373 CE1 HIS A 22 -4.939 5.842 8.235 1.00 0.00 C ATOM 374 NE2 HIS A 22 -4.325 5.186 7.247 1.00 0.00 N ATOM 0 H HIS A 22 -4.480 0.897 11.649 1.00 0.00 H new ATOM 0 HA HIS A 22 -2.836 2.968 10.668 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -4.620 1.687 9.404 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -5.840 2.555 10.313 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -3.718 3.074 7.163 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -5.202 6.889 8.195 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -4.027 5.560 6.346 1.00 0.00 H new ATOM 383 N ASP A 23 -5.438 4.005 12.462 1.00 0.00 N ATOM 384 CA ASP A 23 -5.918 5.122 13.267 1.00 0.00 C ATOM 385 C ASP A 23 -4.910 5.486 14.354 1.00 0.00 C ATOM 386 O ASP A 23 -5.017 6.536 14.987 1.00 0.00 O ATOM 387 CB ASP A 23 -7.256 4.749 13.918 1.00 0.00 C ATOM 388 CG ASP A 23 -8.090 6.003 14.167 1.00 0.00 C ATOM 389 OD1 ASP A 23 -7.502 7.060 14.325 1.00 0.00 O ATOM 390 OD2 ASP A 23 -9.304 5.888 14.197 1.00 0.00 O ATOM 0 H ASP A 23 -6.096 3.231 12.373 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.049 5.984 12.613 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.803 4.062 13.273 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.078 4.229 14.859 1.00 0.00 H new ATOM 395 N LYS A 24 -3.944 4.601 14.580 1.00 0.00 N ATOM 396 CA LYS A 24 -2.932 4.828 15.607 1.00 0.00 C ATOM 397 C LYS A 24 -1.614 5.300 15.002 1.00 0.00 C ATOM 398 O LYS A 24 -1.131 6.384 15.330 1.00 0.00 O ATOM 399 CB LYS A 24 -2.700 3.533 16.401 1.00 0.00 C ATOM 400 CG LYS A 24 -2.405 3.861 17.871 1.00 0.00 C ATOM 401 CD LYS A 24 -3.721 4.023 18.639 1.00 0.00 C ATOM 402 CE LYS A 24 -3.447 4.700 19.983 1.00 0.00 C ATOM 403 NZ LYS A 24 -2.583 3.817 20.816 1.00 0.00 N ATOM 0 H LYS A 24 -3.840 3.724 14.069 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.298 5.611 16.271 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.580 2.893 16.333 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.867 2.977 15.970 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.808 3.066 18.318 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.818 4.777 17.938 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.424 4.619 18.056 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.184 3.049 18.798 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.958 5.661 19.825 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.386 4.901 20.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.521 4.202 21.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.993 2.862 20.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.631 3.770 20.400 1.00 0.00 H new ATOM 417 N TYR A 25 -1.014 4.482 14.145 1.00 0.00 N ATOM 418 CA TYR A 25 0.265 4.845 13.547 1.00 0.00 C ATOM 419 C TYR A 25 0.094 5.896 12.451 1.00 0.00 C ATOM 420 O TYR A 25 0.474 7.054 12.625 1.00 0.00 O ATOM 421 CB TYR A 25 0.935 3.597 12.971 1.00 0.00 C ATOM 422 CG TYR A 25 1.512 2.775 14.100 1.00 0.00 C ATOM 423 CD1 TYR A 25 0.709 1.851 14.778 1.00 0.00 C ATOM 424 CD2 TYR A 25 2.851 2.941 14.468 1.00 0.00 C ATOM 425 CE1 TYR A 25 1.247 1.091 15.824 1.00 0.00 C ATOM 426 CE2 TYR A 25 3.390 2.183 15.514 1.00 0.00 C ATOM 427 CZ TYR A 25 2.587 1.257 16.192 1.00 0.00 C ATOM 428 OH TYR A 25 3.118 0.508 17.223 1.00 0.00 O ATOM 0 H TYR A 25 -1.385 3.578 13.852 1.00 0.00 H new ATOM 0 HA TYR A 25 0.893 5.275 14.327 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.210 3.007 12.410 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.723 3.882 12.274 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -0.325 1.724 14.495 1.00 0.00 H new ATOM 0 HD2 TYR A 25 3.470 3.655 13.945 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.628 0.377 16.347 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.424 2.312 15.798 1.00 0.00 H new ATOM 0 HH TYR A 25 4.060 0.746 17.348 1.00 0.00 H new ATOM 438 N ILE A 26 -0.470 5.482 11.320 1.00 0.00 N ATOM 439 CA ILE A 26 -0.674 6.395 10.199 1.00 0.00 C ATOM 440 C ILE A 26 -1.665 7.493 10.571 1.00 0.00 C ATOM 441 O ILE A 26 -1.309 8.669 10.631 1.00 0.00 O ATOM 442 CB ILE A 26 -1.191 5.623 8.979 1.00 0.00 C ATOM 443 CG1 ILE A 26 -0.062 4.765 8.398 1.00 0.00 C ATOM 444 CG2 ILE A 26 -1.674 6.609 7.910 1.00 0.00 C ATOM 445 CD1 ILE A 26 0.341 3.682 9.402 1.00 0.00 C ATOM 0 H ILE A 26 -0.792 4.528 11.156 1.00 0.00 H new ATOM 0 HA ILE A 26 0.283 6.857 9.955 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.018 4.983 9.286 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.387 4.305 7.465 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.798 5.392 8.162 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.041 6.057 7.045 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.478 7.222 8.317 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.847 7.251 7.607 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.144 3.077 8.981 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.685 4.151 10.324 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.518 3.047 9.616 1.00 0.00 H new ATOM 457 N LYS A 27 -2.911 7.100 10.814 1.00 0.00 N ATOM 458 CA LYS A 27 -3.952 8.058 11.174 1.00 0.00 C ATOM 459 C LYS A 27 -4.268 8.981 10.002 1.00 0.00 C ATOM 460 O LYS A 27 -5.330 8.879 9.388 1.00 0.00 O ATOM 461 CB LYS A 27 -3.510 8.897 12.379 1.00 0.00 C ATOM 462 CG LYS A 27 -4.741 9.545 13.037 1.00 0.00 C ATOM 463 CD LYS A 27 -4.389 10.949 13.545 1.00 0.00 C ATOM 464 CE LYS A 27 -3.427 10.843 14.731 1.00 0.00 C ATOM 465 NZ LYS A 27 -4.195 10.514 15.966 1.00 0.00 N ATOM 0 H LYS A 27 -3.224 6.130 10.769 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.850 7.497 11.433 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.988 8.268 13.101 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.808 9.667 12.060 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.558 9.604 12.318 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.088 8.927 13.865 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.932 11.532 12.745 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.295 11.475 13.845 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.679 10.073 14.539 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.891 11.783 14.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.559 10.542 16.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.958 11.208 16.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.604 9.562 15.877 1.00 0.00 H new ATOM 479 N ASP A 28 -3.342 9.886 9.697 1.00 0.00 N ATOM 480 CA ASP A 28 -3.542 10.824 8.598 1.00 0.00 C ATOM 481 C ASP A 28 -2.274 11.631 8.338 1.00 0.00 C ATOM 482 O ASP A 28 -1.978 12.588 9.053 1.00 0.00 O ATOM 483 CB ASP A 28 -4.692 11.776 8.929 1.00 0.00 C ATOM 484 CG ASP A 28 -5.056 12.602 7.701 1.00 0.00 C ATOM 485 OD1 ASP A 28 -6.236 12.844 7.503 1.00 0.00 O ATOM 486 OD2 ASP A 28 -4.152 12.981 6.975 1.00 0.00 O ATOM 0 H ASP A 28 -2.455 9.989 10.190 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.785 10.254 7.701 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.559 11.208 9.265 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.405 12.435 9.748 1.00 0.00 H new ATOM 491 N ILE A 29 -1.530 11.244 7.305 1.00 0.00 N ATOM 492 CA ILE A 29 -0.300 11.947 6.957 1.00 0.00 C ATOM 493 C ILE A 29 -0.624 13.173 6.108 1.00 0.00 C ATOM 494 O ILE A 29 -1.698 13.760 6.237 1.00 0.00 O ATOM 495 CB ILE A 29 0.642 11.012 6.186 1.00 0.00 C ATOM 496 CG1 ILE A 29 0.441 9.570 6.666 1.00 0.00 C ATOM 497 CG2 ILE A 29 2.100 11.430 6.413 1.00 0.00 C ATOM 498 CD1 ILE A 29 0.554 9.507 8.193 1.00 0.00 C ATOM 0 H ILE A 29 -1.755 10.455 6.700 1.00 0.00 H new ATOM 0 HA ILE A 29 0.194 12.269 7.874 1.00 0.00 H new ATOM 0 HB ILE A 29 0.415 11.077 5.122 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.536 9.205 6.350 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.187 8.919 6.210 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.760 10.761 5.862 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.244 12.452 6.062 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.333 11.375 7.476 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.410 8.479 8.526 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.541 9.853 8.499 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.209 10.144 8.641 1.00 0.00 H new ATOM 510 N ASN A 30 0.306 13.557 5.240 1.00 0.00 N ATOM 511 CA ASN A 30 0.091 14.717 4.382 1.00 0.00 C ATOM 512 C ASN A 30 1.174 14.821 3.310 1.00 0.00 C ATOM 513 O ASN A 30 1.384 15.891 2.739 1.00 0.00 O ATOM 514 CB ASN A 30 0.086 15.992 5.226 1.00 0.00 C ATOM 515 CG ASN A 30 -0.302 17.189 4.363 1.00 0.00 C ATOM 516 OD1 ASN A 30 -1.011 17.003 3.283 1.00 0.00 O flip ATOM 517 ND2 ASN A 30 0.051 18.325 4.681 1.00 0.00 N flip ATOM 0 H ASN A 30 1.204 13.090 5.112 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.873 14.596 3.887 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.616 15.887 6.053 1.00 0.00 H new ATOM 0 HB3 ASN A 30 1.072 16.153 5.663 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.605 18.469 5.525 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -0.211 19.122 4.100 1.00 0.00 H new ATOM 524 N ARG A 31 1.856 13.711 3.034 1.00 0.00 N ATOM 525 CA ARG A 31 2.910 13.703 2.023 1.00 0.00 C ATOM 526 C ARG A 31 2.904 12.387 1.251 1.00 0.00 C ATOM 527 O ARG A 31 3.439 11.378 1.712 1.00 0.00 O ATOM 528 CB ARG A 31 4.283 13.894 2.674 1.00 0.00 C ATOM 529 CG ARG A 31 4.396 15.279 3.317 1.00 0.00 C ATOM 530 CD ARG A 31 4.419 16.371 2.242 1.00 0.00 C ATOM 531 NE ARG A 31 5.260 15.971 1.120 1.00 0.00 N ATOM 532 CZ ARG A 31 5.259 16.658 -0.018 1.00 0.00 C ATOM 533 NH1 ARG A 31 4.496 17.709 -0.145 1.00 0.00 N ATOM 534 NH2 ARG A 31 6.023 16.284 -1.007 1.00 0.00 N ATOM 0 H ARG A 31 1.699 12.813 3.492 1.00 0.00 H new ATOM 0 HA ARG A 31 2.718 14.527 1.335 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.442 13.124 3.429 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.065 13.772 1.925 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.556 15.443 3.992 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.303 15.334 3.919 1.00 0.00 H new ATOM 0 HD2 ARG A 31 3.405 16.565 1.892 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.793 17.302 2.669 1.00 0.00 H new ATOM 0 HE ARG A 31 5.859 15.150 1.210 1.00 0.00 H new ATOM 0 HH11 ARG A 31 3.900 18.003 0.629 1.00 0.00 H new ATOM 0 HH12 ARG A 31 4.495 18.236 -1.018 1.00 0.00 H new ATOM 0 HH21 ARG A 31 6.621 15.464 -0.907 1.00 0.00 H new ATOM 0 HH22 ARG A 31 6.022 16.811 -1.880 1.00 0.00 H new ATOM 548 N PHE A 32 2.305 12.419 0.070 1.00 0.00 N ATOM 549 CA PHE A 32 2.228 11.244 -0.793 1.00 0.00 C ATOM 550 C PHE A 32 2.237 11.697 -2.247 1.00 0.00 C ATOM 551 O PHE A 32 1.345 12.428 -2.677 1.00 0.00 O ATOM 552 CB PHE A 32 0.946 10.461 -0.502 1.00 0.00 C ATOM 553 CG PHE A 32 -0.252 11.324 -0.815 1.00 0.00 C ATOM 554 CD1 PHE A 32 -0.646 12.329 0.077 1.00 0.00 C ATOM 555 CD2 PHE A 32 -0.970 11.121 -2.000 1.00 0.00 C ATOM 556 CE1 PHE A 32 -1.757 13.130 -0.215 1.00 0.00 C ATOM 557 CE2 PHE A 32 -2.081 11.922 -2.292 1.00 0.00 C ATOM 558 CZ PHE A 32 -2.474 12.926 -1.400 1.00 0.00 C ATOM 0 H PHE A 32 1.861 13.252 -0.317 1.00 0.00 H new ATOM 0 HA PHE A 32 3.083 10.596 -0.603 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.919 9.551 -1.101 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.924 10.155 0.544 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.093 12.487 0.991 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.667 10.346 -2.689 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.061 13.905 0.474 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.635 11.765 -3.206 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.331 13.544 -1.626 1.00 0.00 H new ATOM 568 N VAL A 33 3.260 11.288 -2.996 1.00 0.00 N ATOM 569 CA VAL A 33 3.370 11.699 -4.397 1.00 0.00 C ATOM 570 C VAL A 33 3.538 10.506 -5.333 1.00 0.00 C ATOM 571 O VAL A 33 4.180 9.510 -4.990 1.00 0.00 O ATOM 572 CB VAL A 33 4.565 12.643 -4.561 1.00 0.00 C ATOM 573 CG1 VAL A 33 4.340 13.904 -3.722 1.00 0.00 C ATOM 574 CG2 VAL A 33 5.841 11.942 -4.090 1.00 0.00 C ATOM 0 H VAL A 33 4.012 10.684 -2.665 1.00 0.00 H new ATOM 0 HA VAL A 33 2.443 12.206 -4.666 1.00 0.00 H new ATOM 0 HB VAL A 33 4.667 12.917 -5.611 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.191 14.575 -3.839 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.432 14.406 -4.057 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.237 13.629 -2.672 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.690 12.615 -4.207 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.739 11.667 -3.040 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.004 11.044 -4.686 1.00 0.00 H new ATOM 584 N PHE A 34 2.960 10.634 -6.528 1.00 0.00 N ATOM 585 CA PHE A 34 3.041 9.588 -7.544 1.00 0.00 C ATOM 586 C PHE A 34 3.420 10.204 -8.889 1.00 0.00 C ATOM 587 O PHE A 34 2.663 10.127 -9.857 1.00 0.00 O ATOM 588 CB PHE A 34 1.695 8.858 -7.665 1.00 0.00 C ATOM 589 CG PHE A 34 0.583 9.738 -7.148 1.00 0.00 C ATOM 590 CD1 PHE A 34 -0.166 9.342 -6.031 1.00 0.00 C ATOM 591 CD2 PHE A 34 0.300 10.947 -7.788 1.00 0.00 C ATOM 592 CE1 PHE A 34 -1.198 10.160 -5.558 1.00 0.00 C ATOM 593 CE2 PHE A 34 -0.732 11.766 -7.313 1.00 0.00 C ATOM 594 CZ PHE A 34 -1.481 11.373 -6.199 1.00 0.00 C ATOM 0 H PHE A 34 2.429 11.456 -6.815 1.00 0.00 H new ATOM 0 HA PHE A 34 3.805 8.868 -7.249 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.507 8.594 -8.706 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.725 7.926 -7.100 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.053 8.407 -5.536 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.877 11.250 -8.649 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.777 9.856 -4.698 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.950 12.701 -7.807 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.277 12.004 -5.833 1.00 0.00 H new ATOM 604 N LYS A 35 4.595 10.824 -8.940 1.00 0.00 N ATOM 605 CA LYS A 35 5.066 11.459 -10.168 1.00 0.00 C ATOM 606 C LYS A 35 6.463 10.960 -10.528 1.00 0.00 C ATOM 607 O LYS A 35 7.320 11.735 -10.950 1.00 0.00 O ATOM 608 CB LYS A 35 5.091 12.983 -9.987 1.00 0.00 C ATOM 609 CG LYS A 35 4.853 13.669 -11.335 1.00 0.00 C ATOM 610 CD LYS A 35 5.252 15.143 -11.237 1.00 0.00 C ATOM 611 CE LYS A 35 4.498 15.803 -10.082 1.00 0.00 C ATOM 612 NZ LYS A 35 3.080 15.348 -10.088 1.00 0.00 N ATOM 0 H LYS A 35 5.236 10.901 -8.150 1.00 0.00 H new ATOM 0 HA LYS A 35 4.384 11.200 -10.978 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.325 13.286 -9.274 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.051 13.294 -9.575 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.434 13.175 -12.114 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.804 13.584 -11.618 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.327 15.229 -11.079 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.025 15.655 -12.172 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.969 15.547 -9.133 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.543 16.888 -10.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.473 16.098 -9.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.788 15.136 -11.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.988 14.492 -9.505 1.00 0.00 H new ATOM 626 N ASN A 36 6.679 9.660 -10.360 1.00 0.00 N ATOM 627 CA ASN A 36 7.972 9.063 -10.672 1.00 0.00 C ATOM 628 C ASN A 36 7.821 7.565 -10.911 1.00 0.00 C ATOM 629 O ASN A 36 8.697 6.780 -10.549 1.00 0.00 O ATOM 630 CB ASN A 36 8.950 9.300 -9.518 1.00 0.00 C ATOM 631 CG ASN A 36 8.981 10.781 -9.155 1.00 0.00 C ATOM 632 OD1 ASN A 36 9.494 11.598 -9.921 1.00 0.00 O ATOM 633 ND2 ASN A 36 8.463 11.178 -8.027 1.00 0.00 N ATOM 0 H ASN A 36 5.980 9.003 -10.012 1.00 0.00 H new ATOM 0 HA ASN A 36 8.360 9.530 -11.577 1.00 0.00 H new ATOM 0 HB2 ASN A 36 8.651 8.711 -8.651 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.948 8.966 -9.802 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.482 12.167 -7.777 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.039 10.500 -7.394 1.00 0.00 H new ATOM 640 N ASN A 37 6.704 7.178 -11.517 1.00 0.00 N ATOM 641 CA ASN A 37 6.444 5.770 -11.797 1.00 0.00 C ATOM 642 C ASN A 37 6.479 4.956 -10.507 1.00 0.00 C ATOM 643 O ASN A 37 6.599 3.732 -10.536 1.00 0.00 O ATOM 644 CB ASN A 37 7.485 5.225 -12.779 1.00 0.00 C ATOM 645 CG ASN A 37 7.399 5.980 -14.101 1.00 0.00 C ATOM 646 OD1 ASN A 37 7.145 7.185 -14.114 1.00 0.00 O ATOM 647 ND2 ASN A 37 7.595 5.339 -15.220 1.00 0.00 N ATOM 0 H ASN A 37 5.968 7.815 -11.822 1.00 0.00 H new ATOM 0 HA ASN A 37 5.453 5.685 -12.243 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.485 5.327 -12.356 1.00 0.00 H new ATOM 0 HB3 ASN A 37 7.317 4.161 -12.947 1.00 0.00 H new ATOM 0 HD21 ASN A 37 7.538 5.836 -16.109 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.805 4.341 -15.206 1.00 0.00 H new ATOM 654 N VAL A 38 6.369 5.649 -9.377 1.00 0.00 N ATOM 655 CA VAL A 38 6.384 4.995 -8.073 1.00 0.00 C ATOM 656 C VAL A 38 5.554 5.796 -7.076 1.00 0.00 C ATOM 657 O VAL A 38 5.248 6.965 -7.312 1.00 0.00 O ATOM 658 CB VAL A 38 7.821 4.878 -7.562 1.00 0.00 C ATOM 659 CG1 VAL A 38 7.836 4.108 -6.239 1.00 0.00 C ATOM 660 CG2 VAL A 38 8.669 4.132 -8.593 1.00 0.00 C ATOM 0 H VAL A 38 6.269 6.663 -9.339 1.00 0.00 H new ATOM 0 HA VAL A 38 5.956 3.998 -8.178 1.00 0.00 H new ATOM 0 HB VAL A 38 8.230 5.876 -7.405 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.861 4.026 -5.877 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.233 4.638 -5.502 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.425 3.110 -6.394 1.00 0.00 H new ATOM 0 HG21 VAL A 38 9.693 4.048 -8.230 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.257 3.135 -8.750 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.662 4.680 -9.535 1.00 0.00 H new ATOM 670 N LEU A 39 5.194 5.165 -5.961 1.00 0.00 N ATOM 671 CA LEU A 39 4.401 5.835 -4.933 1.00 0.00 C ATOM 672 C LEU A 39 5.165 5.868 -3.614 1.00 0.00 C ATOM 673 O LEU A 39 5.469 4.823 -3.034 1.00 0.00 O ATOM 674 CB LEU A 39 3.061 5.106 -4.735 1.00 0.00 C ATOM 675 CG LEU A 39 1.963 5.805 -5.543 1.00 0.00 C ATOM 676 CD1 LEU A 39 2.129 5.478 -7.029 1.00 0.00 C ATOM 677 CD2 LEU A 39 0.589 5.327 -5.072 1.00 0.00 C ATOM 0 H LEU A 39 5.436 4.198 -5.747 1.00 0.00 H new ATOM 0 HA LEU A 39 4.207 6.857 -5.259 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.152 4.067 -5.052 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.796 5.095 -3.678 1.00 0.00 H new ATOM 0 HG LEU A 39 2.043 6.882 -5.395 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.346 5.977 -7.601 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.105 5.824 -7.371 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.054 4.400 -7.175 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.188 5.827 -5.650 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.510 4.249 -5.215 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.464 5.563 -4.015 1.00 0.00 H new ATOM 689 N LEU A 40 5.478 7.076 -3.149 1.00 0.00 N ATOM 690 CA LEU A 40 6.216 7.237 -1.900 1.00 0.00 C ATOM 691 C LEU A 40 5.365 8.000 -0.890 1.00 0.00 C ATOM 692 O LEU A 40 4.594 8.891 -1.257 1.00 0.00 O ATOM 693 CB LEU A 40 7.527 7.991 -2.176 1.00 0.00 C ATOM 694 CG LEU A 40 8.594 7.630 -1.129 1.00 0.00 C ATOM 695 CD1 LEU A 40 9.986 7.929 -1.699 1.00 0.00 C ATOM 696 CD2 LEU A 40 8.376 8.447 0.156 1.00 0.00 C ATOM 0 H LEU A 40 5.234 7.950 -3.614 1.00 0.00 H new ATOM 0 HA LEU A 40 6.451 6.257 -1.485 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.891 7.744 -3.173 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.344 9.065 -2.160 1.00 0.00 H new ATOM 0 HG LEU A 40 8.514 6.570 -0.889 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.745 7.674 -0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.145 7.337 -2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.059 8.989 -1.943 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.138 8.182 0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.447 9.510 -0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.389 8.228 0.563 1.00 0.00 H new ATOM 708 N ILE A 41 5.505 7.638 0.383 1.00 0.00 N ATOM 709 CA ILE A 41 4.736 8.285 1.447 1.00 0.00 C ATOM 710 C ILE A 41 5.579 8.434 2.713 1.00 0.00 C ATOM 711 O ILE A 41 6.321 7.528 3.089 1.00 0.00 O ATOM 712 CB ILE A 41 3.489 7.451 1.758 1.00 0.00 C ATOM 713 CG1 ILE A 41 2.655 7.292 0.481 1.00 0.00 C ATOM 714 CG2 ILE A 41 2.651 8.152 2.832 1.00 0.00 C ATOM 715 CD1 ILE A 41 1.360 6.542 0.799 1.00 0.00 C ATOM 0 H ILE A 41 6.139 6.906 0.703 1.00 0.00 H new ATOM 0 HA ILE A 41 4.442 9.278 1.107 1.00 0.00 H new ATOM 0 HB ILE A 41 3.792 6.470 2.124 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.425 8.271 0.061 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.226 6.748 -0.272 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.765 7.555 3.050 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.244 8.266 3.739 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.347 9.135 2.472 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.771 6.431 -0.111 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.599 5.556 1.199 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.786 7.103 1.537 1.00 0.00 H new ATOM 727 N LEU A 42 5.462 9.588 3.361 1.00 0.00 N ATOM 728 CA LEU A 42 6.220 9.851 4.581 1.00 0.00 C ATOM 729 C LEU A 42 5.805 8.898 5.700 1.00 0.00 C ATOM 730 O LEU A 42 4.621 8.615 5.885 1.00 0.00 O ATOM 731 CB LEU A 42 5.986 11.295 5.043 1.00 0.00 C ATOM 732 CG LEU A 42 6.863 12.272 4.243 1.00 0.00 C ATOM 733 CD1 LEU A 42 8.320 12.180 4.708 1.00 0.00 C ATOM 734 CD2 LEU A 42 6.787 11.947 2.746 1.00 0.00 C ATOM 0 H LEU A 42 4.854 10.352 3.065 1.00 0.00 H new ATOM 0 HA LEU A 42 7.276 9.697 4.359 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.935 11.556 4.918 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.212 11.383 6.106 1.00 0.00 H new ATOM 0 HG LEU A 42 6.494 13.284 4.413 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.930 12.877 4.133 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.381 12.432 5.767 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.687 11.165 4.555 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.412 12.646 2.190 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.140 10.930 2.576 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.755 12.034 2.407 1.00 0.00 H new ATOM 746 N LEU A 43 6.792 8.420 6.451 1.00 0.00 N ATOM 747 CA LEU A 43 6.535 7.514 7.566 1.00 0.00 C ATOM 748 C LEU A 43 7.683 7.577 8.569 1.00 0.00 C ATOM 749 O LEU A 43 8.755 7.020 8.334 1.00 0.00 O ATOM 750 CB LEU A 43 6.376 6.078 7.059 1.00 0.00 C ATOM 751 CG LEU A 43 5.980 5.157 8.222 1.00 0.00 C ATOM 752 CD1 LEU A 43 4.540 5.452 8.662 1.00 0.00 C ATOM 753 CD2 LEU A 43 6.081 3.697 7.774 1.00 0.00 C ATOM 0 H LEU A 43 7.777 8.644 6.308 1.00 0.00 H new ATOM 0 HA LEU A 43 5.612 7.823 8.056 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.616 6.040 6.278 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.309 5.735 6.613 1.00 0.00 H new ATOM 0 HG LEU A 43 6.654 5.335 9.060 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.270 4.793 9.487 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.464 6.490 8.986 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.862 5.283 7.825 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.800 3.043 8.599 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.410 3.528 6.932 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.105 3.479 7.471 1.00 0.00 H new ATOM 765 N GLU A 44 7.452 8.263 9.683 1.00 0.00 N ATOM 766 CA GLU A 44 8.477 8.398 10.714 1.00 0.00 C ATOM 767 C GLU A 44 8.420 7.223 11.689 1.00 0.00 C ATOM 768 O GLU A 44 9.448 6.783 12.203 1.00 0.00 O ATOM 769 CB GLU A 44 8.275 9.708 11.478 1.00 0.00 C ATOM 770 CG GLU A 44 6.793 9.879 11.821 1.00 0.00 C ATOM 771 CD GLU A 44 6.623 10.981 12.862 1.00 0.00 C ATOM 772 OE1 GLU A 44 6.059 12.007 12.523 1.00 0.00 O ATOM 773 OE2 GLU A 44 7.057 10.780 13.985 1.00 0.00 O ATOM 0 H GLU A 44 6.571 8.731 9.895 1.00 0.00 H new ATOM 0 HA GLU A 44 9.454 8.404 10.230 1.00 0.00 H new ATOM 0 HB2 GLU A 44 8.872 9.705 12.390 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.619 10.549 10.876 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.229 10.127 10.922 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.389 8.941 12.202 1.00 0.00 H new ATOM 780 N ASN A 45 7.214 6.725 11.939 1.00 0.00 N ATOM 781 CA ASN A 45 7.033 5.606 12.857 1.00 0.00 C ATOM 782 C ASN A 45 8.061 4.510 12.583 1.00 0.00 C ATOM 783 O ASN A 45 8.044 3.876 11.527 1.00 0.00 O ATOM 784 CB ASN A 45 5.619 5.037 12.709 1.00 0.00 C ATOM 785 CG ASN A 45 4.618 5.931 13.432 1.00 0.00 C ATOM 786 OD1 ASN A 45 4.936 6.507 14.472 1.00 0.00 O ATOM 787 ND2 ASN A 45 3.417 6.080 12.941 1.00 0.00 N ATOM 0 H ASN A 45 6.352 7.076 11.522 1.00 0.00 H new ATOM 0 HA ASN A 45 7.175 5.968 13.875 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.357 4.963 11.654 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.580 4.028 13.119 1.00 0.00 H new ATOM 0 HD21 ASN A 45 2.741 6.675 13.420 1.00 0.00 H new ATOM 0 HD22 ASN A 45 3.156 5.602 12.079 1.00 0.00 H new ATOM 794 N GLU A 46 8.956 4.298 13.544 1.00 0.00 N ATOM 795 CA GLU A 46 9.994 3.282 13.405 1.00 0.00 C ATOM 796 C GLU A 46 9.389 1.880 13.368 1.00 0.00 C ATOM 797 O GLU A 46 9.697 1.088 12.478 1.00 0.00 O ATOM 798 CB GLU A 46 10.979 3.382 14.572 1.00 0.00 C ATOM 799 CG GLU A 46 12.018 2.264 14.464 1.00 0.00 C ATOM 800 CD GLU A 46 13.228 2.590 15.334 1.00 0.00 C ATOM 801 OE1 GLU A 46 13.123 2.438 16.541 1.00 0.00 O ATOM 802 OE2 GLU A 46 14.241 2.985 14.781 1.00 0.00 O ATOM 0 H GLU A 46 8.983 4.814 14.424 1.00 0.00 H new ATOM 0 HA GLU A 46 10.517 3.458 12.465 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.473 4.354 14.562 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.445 3.306 15.519 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.579 1.317 14.778 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.328 2.144 13.426 1.00 0.00 H new ATOM 809 N PHE A 47 8.528 1.580 14.335 1.00 0.00 N ATOM 810 CA PHE A 47 7.892 0.269 14.392 1.00 0.00 C ATOM 811 C PHE A 47 7.131 0.003 13.100 1.00 0.00 C ATOM 812 O PHE A 47 7.461 -0.915 12.349 1.00 0.00 O ATOM 813 CB PHE A 47 6.931 0.201 15.583 1.00 0.00 C ATOM 814 CG PHE A 47 7.704 -0.084 16.849 1.00 0.00 C ATOM 815 CD1 PHE A 47 8.397 0.947 17.494 1.00 0.00 C ATOM 816 CD2 PHE A 47 7.728 -1.381 17.376 1.00 0.00 C ATOM 817 CE1 PHE A 47 9.115 0.681 18.667 1.00 0.00 C ATOM 818 CE2 PHE A 47 8.444 -1.646 18.549 1.00 0.00 C ATOM 819 CZ PHE A 47 9.138 -0.616 19.194 1.00 0.00 C ATOM 0 H PHE A 47 8.257 2.219 15.082 1.00 0.00 H new ATOM 0 HA PHE A 47 8.664 -0.491 14.515 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.391 1.143 15.680 1.00 0.00 H new ATOM 0 HB3 PHE A 47 6.187 -0.578 15.417 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.378 1.947 17.087 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.194 -2.177 16.878 1.00 0.00 H new ATOM 0 HE1 PHE A 47 9.651 1.476 19.165 1.00 0.00 H new ATOM 0 HE2 PHE A 47 8.461 -2.646 18.957 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.691 -0.822 20.098 1.00 0.00 H new ATOM 829 N ALA A 48 6.115 0.817 12.845 1.00 0.00 N ATOM 830 CA ALA A 48 5.316 0.667 11.634 1.00 0.00 C ATOM 831 C ALA A 48 6.213 0.336 10.448 1.00 0.00 C ATOM 832 O ALA A 48 6.248 -0.800 9.976 1.00 0.00 O ATOM 833 CB ALA A 48 4.560 1.967 11.350 1.00 0.00 C ATOM 0 H ALA A 48 5.826 1.582 13.454 1.00 0.00 H new ATOM 0 HA ALA A 48 4.605 -0.146 11.782 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.964 1.851 10.445 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.904 2.197 12.189 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.273 2.780 11.214 1.00 0.00 H new ATOM 839 N ARG A 49 6.932 1.347 9.974 1.00 0.00 N ATOM 840 CA ARG A 49 7.834 1.180 8.840 1.00 0.00 C ATOM 841 C ARG A 49 8.508 -0.189 8.874 1.00 0.00 C ATOM 842 O ARG A 49 8.719 -0.814 7.834 1.00 0.00 O ATOM 843 CB ARG A 49 8.899 2.277 8.866 1.00 0.00 C ATOM 844 CG ARG A 49 9.587 2.365 7.502 1.00 0.00 C ATOM 845 CD ARG A 49 10.397 3.659 7.419 1.00 0.00 C ATOM 846 NE ARG A 49 11.481 3.514 6.454 1.00 0.00 N ATOM 847 CZ ARG A 49 12.652 2.991 6.806 1.00 0.00 C ATOM 848 NH1 ARG A 49 12.847 2.596 8.035 1.00 0.00 N ATOM 849 NH2 ARG A 49 13.606 2.874 5.924 1.00 0.00 N ATOM 0 H ARG A 49 6.908 2.292 10.358 1.00 0.00 H new ATOM 0 HA ARG A 49 7.250 1.253 7.922 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.442 3.235 9.115 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.635 2.064 9.641 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.241 1.505 7.357 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.843 2.338 6.706 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.748 4.485 7.127 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.804 3.905 8.400 1.00 0.00 H new ATOM 0 HE ARG A 49 11.338 3.819 5.491 1.00 0.00 H new ATOM 0 HH11 ARG A 49 12.101 2.689 8.725 1.00 0.00 H new ATOM 0 HH12 ARG A 49 13.745 2.195 8.305 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.454 3.184 4.964 1.00 0.00 H new ATOM 0 HH22 ARG A 49 14.504 2.473 6.194 1.00 0.00 H new ATOM 863 N ASN A 50 8.850 -0.648 10.073 1.00 0.00 N ATOM 864 CA ASN A 50 9.505 -1.941 10.225 1.00 0.00 C ATOM 865 C ASN A 50 8.680 -3.041 9.561 1.00 0.00 C ATOM 866 O ASN A 50 9.158 -3.762 8.687 1.00 0.00 O ATOM 867 CB ASN A 50 9.669 -2.261 11.717 1.00 0.00 C ATOM 868 CG ASN A 50 10.862 -3.191 11.927 1.00 0.00 C ATOM 869 OD1 ASN A 50 10.736 -4.405 11.774 1.00 0.00 O ATOM 870 ND2 ASN A 50 12.016 -2.689 12.271 1.00 0.00 N ATOM 0 H ASN A 50 8.686 -0.148 10.947 1.00 0.00 H new ATOM 0 HA ASN A 50 10.483 -1.895 9.745 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.813 -1.339 12.281 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.762 -2.729 12.098 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.817 -3.304 12.414 1.00 0.00 H new ATOM 0 HD22 ASN A 50 12.117 -1.682 12.397 1.00 0.00 H new ATOM 877 N SER A 51 7.433 -3.155 10.012 1.00 0.00 N ATOM 878 CA SER A 51 6.499 -4.158 9.507 1.00 0.00 C ATOM 879 C SER A 51 5.959 -3.796 8.123 1.00 0.00 C ATOM 880 O SER A 51 5.939 -4.628 7.213 1.00 0.00 O ATOM 881 CB SER A 51 5.323 -4.273 10.481 1.00 0.00 C ATOM 882 OG SER A 51 4.974 -5.642 10.634 1.00 0.00 O ATOM 0 H SER A 51 7.042 -2.555 10.738 1.00 0.00 H new ATOM 0 HA SER A 51 7.036 -5.103 9.422 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.592 -3.844 11.446 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.469 -3.707 10.107 1.00 0.00 H new ATOM 0 HG SER A 51 4.223 -5.720 11.258 1.00 0.00 H new ATOM 888 N LEU A 52 5.502 -2.560 7.977 1.00 0.00 N ATOM 889 CA LEU A 52 4.942 -2.115 6.706 1.00 0.00 C ATOM 890 C LEU A 52 5.837 -2.529 5.542 1.00 0.00 C ATOM 891 O LEU A 52 5.389 -3.210 4.621 1.00 0.00 O ATOM 892 CB LEU A 52 4.759 -0.592 6.709 1.00 0.00 C ATOM 893 CG LEU A 52 3.408 -0.230 7.348 1.00 0.00 C ATOM 894 CD1 LEU A 52 3.439 1.217 7.853 1.00 0.00 C ATOM 895 CD2 LEU A 52 2.285 -0.376 6.310 1.00 0.00 C ATOM 0 H LEU A 52 5.507 -1.854 8.713 1.00 0.00 H new ATOM 0 HA LEU A 52 3.969 -2.591 6.580 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.571 -0.120 7.262 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.803 -0.209 5.689 1.00 0.00 H new ATOM 0 HG LEU A 52 3.224 -0.904 8.185 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.478 1.466 8.304 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.228 1.326 8.597 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.632 1.890 7.018 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.330 -0.118 6.768 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.477 0.292 5.470 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.250 -1.406 5.954 1.00 0.00 H new ATOM 907 N ASN A 53 7.098 -2.109 5.578 1.00 0.00 N ATOM 908 CA ASN A 53 8.022 -2.447 4.501 1.00 0.00 C ATOM 909 C ASN A 53 8.374 -3.931 4.531 1.00 0.00 C ATOM 910 O ASN A 53 8.964 -4.451 3.583 1.00 0.00 O ATOM 911 CB ASN A 53 9.293 -1.602 4.604 1.00 0.00 C ATOM 912 CG ASN A 53 8.987 -0.152 4.242 1.00 0.00 C ATOM 913 OD1 ASN A 53 8.154 0.108 3.374 1.00 0.00 O ATOM 914 ND2 ASN A 53 9.613 0.811 4.859 1.00 0.00 N ATOM 0 H ASN A 53 7.498 -1.544 6.327 1.00 0.00 H new ATOM 0 HA ASN A 53 7.530 -2.230 3.553 1.00 0.00 H new ATOM 0 HB2 ASN A 53 9.694 -1.656 5.616 1.00 0.00 H new ATOM 0 HB3 ASN A 53 10.058 -1.998 3.936 1.00 0.00 H new ATOM 0 HD21 ASN A 53 9.413 1.783 4.623 1.00 0.00 H new ATOM 0 HD22 ASN A 53 10.303 0.592 5.578 1.00 0.00 H new ATOM 921 N ASP A 54 7.994 -4.618 5.604 1.00 0.00 N ATOM 922 CA ASP A 54 8.266 -6.046 5.702 1.00 0.00 C ATOM 923 C ASP A 54 7.326 -6.803 4.772 1.00 0.00 C ATOM 924 O ASP A 54 7.648 -7.884 4.281 1.00 0.00 O ATOM 925 CB ASP A 54 8.072 -6.532 7.142 1.00 0.00 C ATOM 926 CG ASP A 54 8.795 -7.859 7.348 1.00 0.00 C ATOM 927 OD1 ASP A 54 9.095 -8.508 6.359 1.00 0.00 O ATOM 928 OD2 ASP A 54 9.037 -8.208 8.492 1.00 0.00 O ATOM 0 H ASP A 54 7.505 -4.217 6.404 1.00 0.00 H new ATOM 0 HA ASP A 54 9.300 -6.231 5.411 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.455 -5.788 7.840 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.009 -6.651 7.354 1.00 0.00 H new ATOM 933 N ASN A 55 6.159 -6.208 4.535 1.00 0.00 N ATOM 934 CA ASN A 55 5.160 -6.808 3.658 1.00 0.00 C ATOM 935 C ASN A 55 4.228 -5.730 3.107 1.00 0.00 C ATOM 936 O ASN A 55 3.066 -5.640 3.502 1.00 0.00 O ATOM 937 CB ASN A 55 4.344 -7.848 4.429 1.00 0.00 C ATOM 938 CG ASN A 55 3.481 -8.654 3.465 1.00 0.00 C ATOM 939 OD1 ASN A 55 3.420 -8.303 2.209 1.00 0.00 O flip ATOM 940 ND2 ASN A 55 2.844 -9.628 3.866 1.00 0.00 N flip ATOM 0 H ASN A 55 5.883 -5.312 4.938 1.00 0.00 H new ATOM 0 HA ASN A 55 5.671 -7.296 2.828 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.012 -8.514 4.976 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.713 -7.353 5.167 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.893 -9.900 4.848 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.267 -10.163 3.217 1.00 0.00 H new ATOM 947 N SER A 56 4.751 -4.906 2.200 1.00 0.00 N ATOM 948 CA SER A 56 3.962 -3.827 1.606 1.00 0.00 C ATOM 949 C SER A 56 3.500 -4.194 0.198 1.00 0.00 C ATOM 950 O SER A 56 3.737 -3.451 -0.754 1.00 0.00 O ATOM 951 CB SER A 56 4.796 -2.546 1.547 1.00 0.00 C ATOM 952 OG SER A 56 5.604 -2.566 0.377 1.00 0.00 O ATOM 0 H SER A 56 5.712 -4.964 1.862 1.00 0.00 H new ATOM 0 HA SER A 56 3.082 -3.669 2.230 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.143 -1.673 1.537 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.423 -2.465 2.435 1.00 0.00 H new ATOM 0 HG SER A 56 5.034 -2.478 -0.416 1.00 0.00 H new ATOM 958 N GLU A 57 2.833 -5.335 0.074 1.00 0.00 N ATOM 959 CA GLU A 57 2.339 -5.780 -1.226 1.00 0.00 C ATOM 960 C GLU A 57 1.184 -4.895 -1.684 1.00 0.00 C ATOM 961 O GLU A 57 0.186 -5.384 -2.210 1.00 0.00 O ATOM 962 CB GLU A 57 1.868 -7.233 -1.136 1.00 0.00 C ATOM 963 CG GLU A 57 0.909 -7.389 0.046 1.00 0.00 C ATOM 964 CD GLU A 57 0.166 -8.717 -0.059 1.00 0.00 C ATOM 965 OE1 GLU A 57 -0.872 -8.843 0.570 1.00 0.00 O ATOM 966 OE2 GLU A 57 0.646 -9.587 -0.766 1.00 0.00 O ATOM 0 H GLU A 57 2.623 -5.964 0.848 1.00 0.00 H new ATOM 0 HA GLU A 57 3.150 -5.708 -1.950 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.371 -7.523 -2.062 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.724 -7.896 -1.013 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.464 -7.346 0.983 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.197 -6.564 0.059 1.00 0.00 H new ATOM 973 N ILE A 58 1.322 -3.589 -1.470 1.00 0.00 N ATOM 974 CA ILE A 58 0.280 -2.643 -1.851 1.00 0.00 C ATOM 975 C ILE A 58 0.118 -2.581 -3.371 1.00 0.00 C ATOM 976 O ILE A 58 -0.869 -2.047 -3.874 1.00 0.00 O ATOM 977 CB ILE A 58 0.623 -1.254 -1.309 1.00 0.00 C ATOM 978 CG1 ILE A 58 1.126 -1.380 0.133 1.00 0.00 C ATOM 979 CG2 ILE A 58 -0.620 -0.363 -1.338 1.00 0.00 C ATOM 980 CD1 ILE A 58 0.140 -2.215 0.955 1.00 0.00 C ATOM 0 H ILE A 58 2.142 -3.164 -1.037 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.663 -2.982 -1.423 1.00 0.00 H new ATOM 0 HB ILE A 58 1.399 -0.808 -1.931 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.111 -1.847 0.145 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.237 -0.391 0.577 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.369 0.624 -0.951 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.978 -0.271 -2.364 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.401 -0.807 -0.720 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.502 -2.302 1.979 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.836 -1.730 0.955 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.051 -3.209 0.516 1.00 0.00 H new ATOM 992 N ILE A 59 1.083 -3.137 -4.098 1.00 0.00 N ATOM 993 CA ILE A 59 1.016 -3.143 -5.557 1.00 0.00 C ATOM 994 C ILE A 59 -0.063 -4.125 -6.016 1.00 0.00 C ATOM 995 O ILE A 59 -0.399 -4.205 -7.198 1.00 0.00 O ATOM 996 CB ILE A 59 2.385 -3.520 -6.134 1.00 0.00 C ATOM 997 CG1 ILE A 59 2.249 -3.899 -7.615 1.00 0.00 C ATOM 998 CG2 ILE A 59 2.960 -4.704 -5.357 1.00 0.00 C ATOM 999 CD1 ILE A 59 3.637 -3.966 -8.270 1.00 0.00 C ATOM 0 H ILE A 59 1.912 -3.585 -3.707 1.00 0.00 H new ATOM 0 HA ILE A 59 0.753 -2.149 -5.919 1.00 0.00 H new ATOM 0 HB ILE A 59 3.054 -2.664 -6.045 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.747 -4.862 -7.708 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.629 -3.166 -8.131 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.933 -4.971 -5.768 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.072 -4.431 -4.308 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.285 -5.556 -5.440 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.531 -4.236 -9.321 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.123 -2.994 -8.192 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.243 -4.716 -7.762 1.00 0.00 H new ATOM 1011 N HIS A 60 -0.612 -4.848 -5.047 1.00 0.00 N ATOM 1012 CA HIS A 60 -1.675 -5.821 -5.288 1.00 0.00 C ATOM 1013 C HIS A 60 -3.013 -5.125 -5.528 1.00 0.00 C ATOM 1014 O HIS A 60 -3.833 -5.604 -6.312 1.00 0.00 O ATOM 1015 CB HIS A 60 -1.805 -6.733 -4.065 1.00 0.00 C ATOM 1016 CG HIS A 60 -0.681 -7.733 -4.067 1.00 0.00 C ATOM 1017 ND1 HIS A 60 0.571 -7.438 -4.583 1.00 0.00 N ATOM 1018 CD2 HIS A 60 -0.606 -9.030 -3.622 1.00 0.00 C ATOM 1019 CE1 HIS A 60 1.338 -8.532 -4.437 1.00 0.00 C ATOM 1020 NE2 HIS A 60 0.670 -9.532 -3.856 1.00 0.00 N ATOM 0 H HIS A 60 -0.333 -4.777 -4.069 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.418 -6.400 -6.175 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.778 -6.140 -3.151 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.765 -7.248 -4.082 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.415 -9.577 -3.161 1.00 0.00 H new ATOM 0 HE1 HIS A 60 2.369 -8.595 -4.751 1.00 0.00 H new ATOM 0 HE2 HIS A 60 1.020 -10.463 -3.632 1.00 0.00 H new ATOM 1029 N LEU A 61 -3.237 -4.009 -4.846 1.00 0.00 N ATOM 1030 CA LEU A 61 -4.495 -3.274 -4.992 1.00 0.00 C ATOM 1031 C LEU A 61 -4.260 -1.930 -5.671 1.00 0.00 C ATOM 1032 O LEU A 61 -5.029 -1.522 -6.541 1.00 0.00 O ATOM 1033 CB LEU A 61 -5.137 -3.051 -3.613 1.00 0.00 C ATOM 1034 CG LEU A 61 -4.543 -4.028 -2.590 1.00 0.00 C ATOM 1035 CD1 LEU A 61 -3.230 -3.456 -2.035 1.00 0.00 C ATOM 1036 CD2 LEU A 61 -5.539 -4.230 -1.444 1.00 0.00 C ATOM 0 H LEU A 61 -2.574 -3.593 -4.192 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.167 -3.866 -5.614 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.969 -2.025 -3.287 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.216 -3.192 -3.678 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.344 -4.985 -3.073 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.809 -4.151 -1.308 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.522 -3.311 -2.851 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.426 -2.499 -1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.120 -4.924 -0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.737 -3.273 -0.961 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.470 -4.637 -1.839 1.00 0.00 H new ATOM 1048 N ALA A 62 -3.204 -1.245 -5.263 1.00 0.00 N ATOM 1049 CA ALA A 62 -2.888 0.056 -5.832 1.00 0.00 C ATOM 1050 C ALA A 62 -3.047 0.047 -7.350 1.00 0.00 C ATOM 1051 O ALA A 62 -3.390 1.067 -7.949 1.00 0.00 O ATOM 1052 CB ALA A 62 -1.453 0.449 -5.478 1.00 0.00 C ATOM 0 H ALA A 62 -2.555 -1.565 -4.545 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.584 0.782 -5.412 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.226 1.424 -5.909 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.346 0.497 -4.394 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.763 -0.294 -5.878 1.00 0.00 H new ATOM 1058 N GLU A 63 -2.787 -1.098 -7.974 1.00 0.00 N ATOM 1059 CA GLU A 63 -2.894 -1.197 -9.427 1.00 0.00 C ATOM 1060 C GLU A 63 -4.339 -1.012 -9.885 1.00 0.00 C ATOM 1061 O GLU A 63 -4.760 -1.581 -10.892 1.00 0.00 O ATOM 1062 CB GLU A 63 -2.367 -2.549 -9.906 1.00 0.00 C ATOM 1063 CG GLU A 63 -3.027 -3.665 -9.092 1.00 0.00 C ATOM 1064 CD GLU A 63 -2.605 -5.027 -9.634 1.00 0.00 C ATOM 1065 OE1 GLU A 63 -1.591 -5.086 -10.311 1.00 0.00 O ATOM 1066 OE2 GLU A 63 -3.302 -5.990 -9.365 1.00 0.00 O ATOM 0 H GLU A 63 -2.505 -1.959 -7.505 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.290 -0.401 -9.863 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.581 -2.681 -10.967 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.284 -2.591 -9.792 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.743 -3.578 -8.043 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.112 -3.567 -9.138 1.00 0.00 H new ATOM 1073 N SER A 64 -5.089 -0.206 -9.141 1.00 0.00 N ATOM 1074 CA SER A 64 -6.484 0.065 -9.471 1.00 0.00 C ATOM 1075 C SER A 64 -6.768 1.555 -9.323 1.00 0.00 C ATOM 1076 O SER A 64 -7.045 2.025 -8.222 1.00 0.00 O ATOM 1077 CB SER A 64 -7.406 -0.727 -8.543 1.00 0.00 C ATOM 1078 OG SER A 64 -8.680 -0.097 -8.497 1.00 0.00 O ATOM 0 H SER A 64 -4.754 0.272 -8.304 1.00 0.00 H new ATOM 0 HA SER A 64 -6.669 -0.239 -10.501 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.507 -1.752 -8.900 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.977 -0.779 -7.542 1.00 0.00 H new ATOM 0 HG SER A 64 -9.274 -0.603 -7.904 1.00 0.00 H new ATOM 1084 N LEU A 65 -6.696 2.279 -10.444 1.00 0.00 N ATOM 1085 CA LEU A 65 -6.942 3.726 -10.472 1.00 0.00 C ATOM 1086 C LEU A 65 -6.057 4.386 -11.523 1.00 0.00 C ATOM 1087 O LEU A 65 -6.401 5.434 -12.070 1.00 0.00 O ATOM 1088 CB LEU A 65 -6.656 4.374 -9.108 1.00 0.00 C ATOM 1089 CG LEU A 65 -7.949 4.434 -8.282 1.00 0.00 C ATOM 1090 CD1 LEU A 65 -7.610 4.452 -6.792 1.00 0.00 C ATOM 1091 CD2 LEU A 65 -8.722 5.705 -8.644 1.00 0.00 C ATOM 0 H LEU A 65 -6.467 1.881 -11.355 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.994 3.874 -10.716 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.898 3.801 -8.574 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.256 5.378 -9.248 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.559 3.558 -8.501 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.531 4.495 -6.210 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.059 3.548 -6.533 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.999 5.326 -6.568 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.641 5.751 -8.059 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.108 6.579 -8.425 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.968 5.691 -9.706 1.00 0.00 H new ATOM 1103 N TYR A 66 -4.906 3.773 -11.786 1.00 0.00 N ATOM 1104 CA TYR A 66 -3.964 4.315 -12.759 1.00 0.00 C ATOM 1105 C TYR A 66 -3.756 3.334 -13.907 1.00 0.00 C ATOM 1106 O TYR A 66 -4.407 2.291 -13.972 1.00 0.00 O ATOM 1107 CB TYR A 66 -2.619 4.589 -12.077 1.00 0.00 C ATOM 1108 CG TYR A 66 -2.826 5.449 -10.850 1.00 0.00 C ATOM 1109 CD1 TYR A 66 -2.394 6.782 -10.850 1.00 0.00 C ATOM 1110 CD2 TYR A 66 -3.445 4.916 -9.709 1.00 0.00 C ATOM 1111 CE1 TYR A 66 -2.579 7.580 -9.715 1.00 0.00 C ATOM 1112 CE2 TYR A 66 -3.630 5.716 -8.572 1.00 0.00 C ATOM 1113 CZ TYR A 66 -3.197 7.048 -8.576 1.00 0.00 C ATOM 1114 OH TYR A 66 -3.378 7.836 -7.458 1.00 0.00 O ATOM 0 H TYR A 66 -4.605 2.906 -11.342 1.00 0.00 H new ATOM 0 HA TYR A 66 -4.373 5.244 -13.157 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -2.146 3.648 -11.796 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -1.945 5.089 -12.772 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.918 7.194 -11.727 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.779 3.889 -9.706 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.245 8.607 -9.717 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -4.106 5.305 -7.694 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.822 7.314 -6.758 1.00 0.00 H new ATOM 1124 N GLU A 67 -2.844 3.676 -14.811 1.00 0.00 N ATOM 1125 CA GLU A 67 -2.555 2.826 -15.953 1.00 0.00 C ATOM 1126 C GLU A 67 -1.923 1.514 -15.487 1.00 0.00 C ATOM 1127 O GLU A 67 -2.029 0.489 -16.161 1.00 0.00 O ATOM 1128 CB GLU A 67 -1.615 3.576 -16.909 1.00 0.00 C ATOM 1129 CG GLU A 67 -0.677 2.598 -17.612 1.00 0.00 C ATOM 1130 CD GLU A 67 -0.014 3.278 -18.806 1.00 0.00 C ATOM 1131 OE1 GLU A 67 -0.046 4.497 -18.861 1.00 0.00 O ATOM 1132 OE2 GLU A 67 0.515 2.572 -19.647 1.00 0.00 O ATOM 0 H GLU A 67 -2.295 4.535 -14.772 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.480 2.585 -16.477 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.200 4.124 -17.648 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.033 4.312 -16.354 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.084 2.246 -16.915 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.234 1.722 -17.945 1.00 0.00 H new ATOM 1139 N GLY A 68 -1.272 1.555 -14.329 1.00 0.00 N ATOM 1140 CA GLY A 68 -0.632 0.364 -13.781 1.00 0.00 C ATOM 1141 C GLY A 68 0.463 0.742 -12.790 1.00 0.00 C ATOM 1142 O GLY A 68 1.640 0.797 -13.144 1.00 0.00 O ATOM 0 H GLY A 68 -1.174 2.393 -13.756 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.377 -0.259 -13.286 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.207 -0.230 -14.590 1.00 0.00 H new ATOM 1146 N ILE A 69 0.068 1.004 -11.549 1.00 0.00 N ATOM 1147 CA ILE A 69 1.030 1.377 -10.518 1.00 0.00 C ATOM 1148 C ILE A 69 2.213 0.419 -10.515 1.00 0.00 C ATOM 1149 O ILE A 69 2.106 -0.721 -10.967 1.00 0.00 O ATOM 1150 CB ILE A 69 0.364 1.354 -9.138 1.00 0.00 C ATOM 1151 CG1 ILE A 69 -0.766 2.394 -9.081 1.00 0.00 C ATOM 1152 CG2 ILE A 69 1.407 1.659 -8.059 1.00 0.00 C ATOM 1153 CD1 ILE A 69 -0.199 3.795 -8.816 1.00 0.00 C ATOM 0 H ILE A 69 -0.901 0.966 -11.234 1.00 0.00 H new ATOM 0 HA ILE A 69 1.385 2.384 -10.737 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.058 0.365 -8.962 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.318 2.391 -10.021 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.473 2.128 -8.296 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.932 1.642 -7.078 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.196 0.908 -8.093 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.837 2.645 -8.237 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.015 4.517 -8.779 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.332 3.799 -7.864 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.490 4.066 -9.616 1.00 0.00 H new ATOM 1165 N LYS A 70 3.339 0.888 -9.987 1.00 0.00 N ATOM 1166 CA LYS A 70 4.540 0.072 -9.907 1.00 0.00 C ATOM 1167 C LYS A 70 4.693 -0.477 -8.496 1.00 0.00 C ATOM 1168 O LYS A 70 3.954 -1.370 -8.082 1.00 0.00 O ATOM 1169 CB LYS A 70 5.767 0.917 -10.262 1.00 0.00 C ATOM 1170 CG LYS A 70 7.041 0.058 -10.167 1.00 0.00 C ATOM 1171 CD LYS A 70 7.829 0.148 -11.477 1.00 0.00 C ATOM 1172 CE LYS A 70 9.124 -0.656 -11.351 1.00 0.00 C ATOM 1173 NZ LYS A 70 8.798 -2.075 -11.031 1.00 0.00 N ATOM 0 H LYS A 70 3.442 1.830 -9.609 1.00 0.00 H new ATOM 0 HA LYS A 70 4.457 -0.755 -10.612 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.663 1.319 -11.270 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.841 1.768 -9.586 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.659 0.399 -9.337 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.776 -0.979 -9.962 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.229 -0.236 -12.302 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.056 1.189 -11.706 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.690 -0.602 -12.281 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.754 -0.231 -10.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.614 -2.678 -11.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.575 -2.160 -10.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.977 -2.378 -11.593 1.00 0.00 H new ATOM 1187 N SER A 71 5.648 0.071 -7.758 1.00 0.00 N ATOM 1188 CA SER A 71 5.889 -0.363 -6.387 1.00 0.00 C ATOM 1189 C SER A 71 5.323 0.654 -5.399 1.00 0.00 C ATOM 1190 O SER A 71 4.812 1.702 -5.796 1.00 0.00 O ATOM 1191 CB SER A 71 7.390 -0.525 -6.147 1.00 0.00 C ATOM 1192 OG SER A 71 7.895 -1.539 -7.006 1.00 0.00 O ATOM 0 H SER A 71 6.267 0.814 -8.083 1.00 0.00 H new ATOM 0 HA SER A 71 5.391 -1.321 -6.235 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.904 0.417 -6.336 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.578 -0.787 -5.106 1.00 0.00 H new ATOM 0 HG SER A 71 8.858 -1.645 -6.856 1.00 0.00 H new ATOM 1198 N VAL A 72 5.429 0.339 -4.113 1.00 0.00 N ATOM 1199 CA VAL A 72 4.934 1.227 -3.063 1.00 0.00 C ATOM 1200 C VAL A 72 5.835 1.129 -1.838 1.00 0.00 C ATOM 1201 O VAL A 72 6.346 0.055 -1.523 1.00 0.00 O ATOM 1202 CB VAL A 72 3.503 0.839 -2.681 1.00 0.00 C ATOM 1203 CG1 VAL A 72 2.864 1.965 -1.866 1.00 0.00 C ATOM 1204 CG2 VAL A 72 2.681 0.597 -3.950 1.00 0.00 C ATOM 0 H VAL A 72 5.853 -0.523 -3.771 1.00 0.00 H new ATOM 0 HA VAL A 72 4.939 2.252 -3.434 1.00 0.00 H new ATOM 0 HB VAL A 72 3.525 -0.072 -2.083 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.846 1.686 -1.596 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.446 2.134 -0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.844 2.878 -2.461 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.663 0.321 -3.677 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.662 1.507 -4.550 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.133 -0.209 -4.528 1.00 0.00 H new ATOM 1214 N ASN A 73 6.037 2.251 -1.150 1.00 0.00 N ATOM 1215 CA ASN A 73 6.893 2.244 0.033 1.00 0.00 C ATOM 1216 C ASN A 73 6.820 3.559 0.805 1.00 0.00 C ATOM 1217 O ASN A 73 6.464 4.608 0.260 1.00 0.00 O ATOM 1218 CB ASN A 73 8.340 1.985 -0.386 1.00 0.00 C ATOM 1219 CG ASN A 73 9.164 1.547 0.822 1.00 0.00 C ATOM 1220 OD1 ASN A 73 9.439 2.411 1.760 1.00 0.00 O flip ATOM 1221 ND2 ASN A 73 9.568 0.387 0.912 1.00 0.00 N flip ATOM 0 H ASN A 73 5.630 3.157 -1.384 1.00 0.00 H new ATOM 0 HA ASN A 73 6.537 1.451 0.691 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.372 1.215 -1.157 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.768 2.888 -0.820 1.00 0.00 H new ATOM 0 HD21 ASN A 73 9.352 -0.287 0.177 1.00 0.00 H new ATOM 0 HD22 ASN A 73 10.119 0.100 1.721 1.00 0.00 H new ATOM 1228 N PHE A 74 7.179 3.481 2.084 1.00 0.00 N ATOM 1229 CA PHE A 74 7.184 4.646 2.963 1.00 0.00 C ATOM 1230 C PHE A 74 8.547 4.756 3.642 1.00 0.00 C ATOM 1231 O PHE A 74 9.202 3.745 3.896 1.00 0.00 O ATOM 1232 CB PHE A 74 6.077 4.525 4.026 1.00 0.00 C ATOM 1233 CG PHE A 74 5.152 3.374 3.691 1.00 0.00 C ATOM 1234 CD1 PHE A 74 3.803 3.619 3.401 1.00 0.00 C ATOM 1235 CD2 PHE A 74 5.644 2.064 3.673 1.00 0.00 C ATOM 1236 CE1 PHE A 74 2.948 2.553 3.094 1.00 0.00 C ATOM 1237 CE2 PHE A 74 4.789 0.999 3.365 1.00 0.00 C ATOM 1238 CZ PHE A 74 3.441 1.243 3.076 1.00 0.00 C ATOM 0 H PHE A 74 7.472 2.615 2.537 1.00 0.00 H new ATOM 0 HA PHE A 74 6.995 5.541 2.370 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.522 4.369 5.009 1.00 0.00 H new ATOM 0 HB3 PHE A 74 5.509 5.454 4.077 1.00 0.00 H new ATOM 0 HD1 PHE A 74 3.423 4.630 3.414 1.00 0.00 H new ATOM 0 HD2 PHE A 74 6.683 1.875 3.897 1.00 0.00 H new ATOM 0 HE1 PHE A 74 1.908 2.742 2.871 1.00 0.00 H new ATOM 0 HE2 PHE A 74 5.170 -0.012 3.350 1.00 0.00 H new ATOM 0 HZ PHE A 74 2.782 0.421 2.839 1.00 0.00 H new ATOM 1248 N VAL A 75 8.980 5.981 3.928 1.00 0.00 N ATOM 1249 CA VAL A 75 10.280 6.180 4.568 1.00 0.00 C ATOM 1250 C VAL A 75 10.250 7.369 5.526 1.00 0.00 C ATOM 1251 O VAL A 75 9.193 7.747 6.027 1.00 0.00 O ATOM 1252 CB VAL A 75 11.348 6.409 3.502 1.00 0.00 C ATOM 1253 CG1 VAL A 75 11.307 5.266 2.486 1.00 0.00 C ATOM 1254 CG2 VAL A 75 11.077 7.733 2.789 1.00 0.00 C ATOM 0 H VAL A 75 8.462 6.837 3.732 1.00 0.00 H new ATOM 0 HA VAL A 75 10.516 5.284 5.143 1.00 0.00 H new ATOM 0 HB VAL A 75 12.331 6.442 3.972 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.069 5.429 1.724 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.498 4.321 2.994 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.325 5.233 2.015 1.00 0.00 H new ATOM 0 HG21 VAL A 75 11.839 7.899 2.027 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.094 7.698 2.318 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.104 8.548 3.512 1.00 0.00 H new ATOM 1264 N ASN A 76 11.425 7.943 5.785 1.00 0.00 N ATOM 1265 CA ASN A 76 11.532 9.084 6.696 1.00 0.00 C ATOM 1266 C ASN A 76 11.805 10.375 5.922 1.00 0.00 C ATOM 1267 O ASN A 76 12.208 10.344 4.759 1.00 0.00 O ATOM 1268 CB ASN A 76 12.661 8.843 7.712 1.00 0.00 C ATOM 1269 CG ASN A 76 13.123 7.391 7.654 1.00 0.00 C ATOM 1270 OD1 ASN A 76 13.552 6.916 6.603 1.00 0.00 O ATOM 1271 ND2 ASN A 76 13.060 6.654 8.729 1.00 0.00 N ATOM 0 H ASN A 76 12.311 7.640 5.380 1.00 0.00 H new ATOM 0 HA ASN A 76 10.584 9.188 7.224 1.00 0.00 H new ATOM 0 HB2 ASN A 76 13.499 9.507 7.500 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.312 9.081 8.717 1.00 0.00 H new ATOM 0 HD21 ASN A 76 13.367 5.682 8.699 1.00 0.00 H new ATOM 0 HD22 ASN A 76 12.704 7.050 9.599 1.00 0.00 H new ATOM 1278 N GLU A 77 11.564 11.505 6.580 1.00 0.00 N ATOM 1279 CA GLU A 77 11.767 12.814 5.966 1.00 0.00 C ATOM 1280 C GLU A 77 12.970 12.816 5.028 1.00 0.00 C ATOM 1281 O GLU A 77 12.818 12.905 3.810 1.00 0.00 O ATOM 1282 CB GLU A 77 11.971 13.869 7.054 1.00 0.00 C ATOM 1283 CG GLU A 77 11.809 15.265 6.449 1.00 0.00 C ATOM 1284 CD GLU A 77 10.341 15.527 6.128 1.00 0.00 C ATOM 1285 OE1 GLU A 77 10.068 16.508 5.456 1.00 0.00 O ATOM 1286 OE2 GLU A 77 9.512 14.743 6.559 1.00 0.00 O ATOM 0 H GLU A 77 11.227 11.541 7.542 1.00 0.00 H new ATOM 0 HA GLU A 77 10.879 13.047 5.379 1.00 0.00 H new ATOM 0 HB2 GLU A 77 11.248 13.723 7.857 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.962 13.765 7.495 1.00 0.00 H new ATOM 0 HG2 GLU A 77 12.177 16.018 7.146 1.00 0.00 H new ATOM 0 HG3 GLU A 77 12.409 15.349 5.543 1.00 0.00 H new ATOM 1293 N GLN A 78 14.164 12.733 5.601 1.00 0.00 N ATOM 1294 CA GLN A 78 15.384 12.744 4.801 1.00 0.00 C ATOM 1295 C GLN A 78 15.295 11.733 3.665 1.00 0.00 C ATOM 1296 O GLN A 78 15.529 12.070 2.505 1.00 0.00 O ATOM 1297 CB GLN A 78 16.596 12.427 5.679 1.00 0.00 C ATOM 1298 CG GLN A 78 16.802 13.551 6.695 1.00 0.00 C ATOM 1299 CD GLN A 78 17.787 13.108 7.771 1.00 0.00 C ATOM 1300 OE1 GLN A 78 17.545 13.315 8.960 1.00 0.00 O ATOM 1301 NE2 GLN A 78 18.890 12.504 7.423 1.00 0.00 N ATOM 0 H GLN A 78 14.314 12.658 6.607 1.00 0.00 H new ATOM 0 HA GLN A 78 15.500 13.740 4.374 1.00 0.00 H new ATOM 0 HB2 GLN A 78 16.445 11.479 6.196 1.00 0.00 H new ATOM 0 HB3 GLN A 78 17.486 12.315 5.060 1.00 0.00 H new ATOM 0 HG2 GLN A 78 17.177 14.443 6.192 1.00 0.00 H new ATOM 0 HG3 GLN A 78 15.849 13.819 7.151 1.00 0.00 H new ATOM 0 HE21 GLN A 78 19.089 12.333 6.437 1.00 0.00 H new ATOM 0 HE22 GLN A 78 19.553 12.202 8.137 1.00 0.00 H new ATOM 1310 N ASP A 79 14.957 10.496 4.003 1.00 0.00 N ATOM 1311 CA ASP A 79 14.846 9.454 2.990 1.00 0.00 C ATOM 1312 C ASP A 79 13.952 9.922 1.842 1.00 0.00 C ATOM 1313 O ASP A 79 14.410 10.057 0.705 1.00 0.00 O ATOM 1314 CB ASP A 79 14.276 8.179 3.610 1.00 0.00 C ATOM 1315 CG ASP A 79 15.344 7.489 4.455 1.00 0.00 C ATOM 1316 OD1 ASP A 79 15.715 6.379 4.115 1.00 0.00 O ATOM 1317 OD2 ASP A 79 15.772 8.082 5.430 1.00 0.00 O ATOM 0 H ASP A 79 14.757 10.192 4.956 1.00 0.00 H new ATOM 0 HA ASP A 79 15.840 9.243 2.596 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.411 8.420 4.228 1.00 0.00 H new ATOM 0 HB3 ASP A 79 13.930 7.506 2.825 1.00 0.00 H new ATOM 1322 N PHE A 80 12.679 10.178 2.140 1.00 0.00 N ATOM 1323 CA PHE A 80 11.746 10.641 1.117 1.00 0.00 C ATOM 1324 C PHE A 80 12.424 11.673 0.221 1.00 0.00 C ATOM 1325 O PHE A 80 12.379 11.572 -1.005 1.00 0.00 O ATOM 1326 CB PHE A 80 10.509 11.257 1.783 1.00 0.00 C ATOM 1327 CG PHE A 80 9.750 12.113 0.790 1.00 0.00 C ATOM 1328 CD1 PHE A 80 9.414 11.599 -0.469 1.00 0.00 C ATOM 1329 CD2 PHE A 80 9.380 13.420 1.132 1.00 0.00 C ATOM 1330 CE1 PHE A 80 8.709 12.391 -1.384 1.00 0.00 C ATOM 1331 CE2 PHE A 80 8.676 14.212 0.216 1.00 0.00 C ATOM 1332 CZ PHE A 80 8.340 13.697 -1.041 1.00 0.00 C ATOM 0 H PHE A 80 12.275 10.074 3.071 1.00 0.00 H new ATOM 0 HA PHE A 80 11.437 9.793 0.506 1.00 0.00 H new ATOM 0 HB2 PHE A 80 9.861 10.467 2.163 1.00 0.00 H new ATOM 0 HB3 PHE A 80 10.811 11.861 2.639 1.00 0.00 H new ATOM 0 HD1 PHE A 80 9.699 10.592 -0.734 1.00 0.00 H new ATOM 0 HD2 PHE A 80 9.638 13.817 2.103 1.00 0.00 H new ATOM 0 HE1 PHE A 80 8.450 11.994 -2.354 1.00 0.00 H new ATOM 0 HE2 PHE A 80 8.392 15.220 0.480 1.00 0.00 H new ATOM 0 HZ PHE A 80 7.796 14.307 -1.747 1.00 0.00 H new ATOM 1342 N PHE A 81 13.057 12.659 0.846 1.00 0.00 N ATOM 1343 CA PHE A 81 13.750 13.700 0.100 1.00 0.00 C ATOM 1344 C PHE A 81 14.733 13.070 -0.881 1.00 0.00 C ATOM 1345 O PHE A 81 14.583 13.198 -2.096 1.00 0.00 O ATOM 1346 CB PHE A 81 14.500 14.625 1.068 1.00 0.00 C ATOM 1347 CG PHE A 81 14.569 16.018 0.483 1.00 0.00 C ATOM 1348 CD1 PHE A 81 15.751 16.470 -0.116 1.00 0.00 C ATOM 1349 CD2 PHE A 81 13.448 16.854 0.540 1.00 0.00 C ATOM 1350 CE1 PHE A 81 15.810 17.758 -0.660 1.00 0.00 C ATOM 1351 CE2 PHE A 81 13.507 18.142 -0.004 1.00 0.00 C ATOM 1352 CZ PHE A 81 14.689 18.595 -0.605 1.00 0.00 C ATOM 0 H PHE A 81 13.104 12.759 1.860 1.00 0.00 H new ATOM 0 HA PHE A 81 13.018 14.285 -0.457 1.00 0.00 H new ATOM 0 HB2 PHE A 81 13.992 14.649 2.032 1.00 0.00 H new ATOM 0 HB3 PHE A 81 15.505 14.244 1.247 1.00 0.00 H new ATOM 0 HD1 PHE A 81 16.616 15.825 -0.158 1.00 0.00 H new ATOM 0 HD2 PHE A 81 12.537 16.505 1.004 1.00 0.00 H new ATOM 0 HE1 PHE A 81 16.721 18.107 -1.123 1.00 0.00 H new ATOM 0 HE2 PHE A 81 12.642 18.787 0.039 1.00 0.00 H new ATOM 0 HZ PHE A 81 14.735 19.589 -1.025 1.00 0.00 H new ATOM 1362 N PHE A 82 15.741 12.390 -0.336 1.00 0.00 N ATOM 1363 CA PHE A 82 16.760 11.734 -1.151 1.00 0.00 C ATOM 1364 C PHE A 82 16.180 11.244 -2.475 1.00 0.00 C ATOM 1365 O PHE A 82 16.830 11.334 -3.514 1.00 0.00 O ATOM 1366 CB PHE A 82 17.348 10.547 -0.384 1.00 0.00 C ATOM 1367 CG PHE A 82 18.394 9.861 -1.229 1.00 0.00 C ATOM 1368 CD1 PHE A 82 19.732 10.264 -1.151 1.00 0.00 C ATOM 1369 CD2 PHE A 82 18.026 8.819 -2.089 1.00 0.00 C ATOM 1370 CE1 PHE A 82 20.702 9.625 -1.932 1.00 0.00 C ATOM 1371 CE2 PHE A 82 18.996 8.180 -2.870 1.00 0.00 C ATOM 1372 CZ PHE A 82 20.335 8.583 -2.792 1.00 0.00 C ATOM 0 H PHE A 82 15.873 12.279 0.669 1.00 0.00 H new ATOM 0 HA PHE A 82 17.541 12.463 -1.367 1.00 0.00 H new ATOM 0 HB2 PHE A 82 17.790 10.890 0.552 1.00 0.00 H new ATOM 0 HB3 PHE A 82 16.558 9.843 -0.124 1.00 0.00 H new ATOM 0 HD1 PHE A 82 20.016 11.068 -0.488 1.00 0.00 H new ATOM 0 HD2 PHE A 82 16.993 8.508 -2.150 1.00 0.00 H new ATOM 0 HE1 PHE A 82 21.734 9.936 -1.871 1.00 0.00 H new ATOM 0 HE2 PHE A 82 18.712 7.376 -3.533 1.00 0.00 H new ATOM 0 HZ PHE A 82 21.084 8.090 -3.395 1.00 0.00 H new ATOM 1382 N ASN A 83 14.956 10.723 -2.429 1.00 0.00 N ATOM 1383 CA ASN A 83 14.304 10.220 -3.638 1.00 0.00 C ATOM 1384 C ASN A 83 13.736 11.369 -4.467 1.00 0.00 C ATOM 1385 O ASN A 83 13.990 11.467 -5.666 1.00 0.00 O ATOM 1386 CB ASN A 83 13.174 9.257 -3.263 1.00 0.00 C ATOM 1387 CG ASN A 83 12.743 8.461 -4.490 1.00 0.00 C ATOM 1388 OD1 ASN A 83 11.731 8.779 -5.114 1.00 0.00 O ATOM 1389 ND2 ASN A 83 13.457 7.439 -4.876 1.00 0.00 N ATOM 0 H ASN A 83 14.400 10.638 -1.578 1.00 0.00 H new ATOM 0 HA ASN A 83 15.051 9.694 -4.232 1.00 0.00 H new ATOM 0 HB2 ASN A 83 13.508 8.579 -2.478 1.00 0.00 H new ATOM 0 HB3 ASN A 83 12.327 9.814 -2.864 1.00 0.00 H new ATOM 0 HD21 ASN A 83 13.177 6.902 -5.697 1.00 0.00 H new ATOM 0 HD22 ASN A 83 14.295 7.177 -4.357 1.00 0.00 H new ATOM 1396 N LEU A 84 12.956 12.231 -3.825 1.00 0.00 N ATOM 1397 CA LEU A 84 12.353 13.361 -4.518 1.00 0.00 C ATOM 1398 C LEU A 84 13.419 14.407 -4.833 1.00 0.00 C ATOM 1399 O LEU A 84 13.181 15.337 -5.604 1.00 0.00 O ATOM 1400 CB LEU A 84 11.232 13.956 -3.643 1.00 0.00 C ATOM 1401 CG LEU A 84 10.963 15.431 -3.991 1.00 0.00 C ATOM 1402 CD1 LEU A 84 10.418 15.547 -5.418 1.00 0.00 C ATOM 1403 CD2 LEU A 84 9.926 15.993 -3.015 1.00 0.00 C ATOM 0 H LEU A 84 12.728 12.169 -2.833 1.00 0.00 H new ATOM 0 HA LEU A 84 11.919 13.028 -5.461 1.00 0.00 H new ATOM 0 HB2 LEU A 84 10.318 13.377 -3.778 1.00 0.00 H new ATOM 0 HB3 LEU A 84 11.508 13.874 -2.592 1.00 0.00 H new ATOM 0 HG LEU A 84 11.895 15.991 -3.917 1.00 0.00 H new ATOM 0 HD11 LEU A 84 10.232 16.595 -5.652 1.00 0.00 H new ATOM 0 HD12 LEU A 84 11.147 15.142 -6.120 1.00 0.00 H new ATOM 0 HD13 LEU A 84 9.487 14.986 -5.499 1.00 0.00 H new ATOM 0 HD21 LEU A 84 9.730 17.038 -3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.001 15.422 -3.098 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.308 15.920 -1.997 1.00 0.00 H new ATOM 1415 N ALA A 85 14.599 14.248 -4.244 1.00 0.00 N ATOM 1416 CA ALA A 85 15.681 15.192 -4.487 1.00 0.00 C ATOM 1417 C ALA A 85 16.421 14.834 -5.773 1.00 0.00 C ATOM 1418 O ALA A 85 17.059 15.685 -6.393 1.00 0.00 O ATOM 1419 CB ALA A 85 16.657 15.195 -3.309 1.00 0.00 C ATOM 0 H ALA A 85 14.828 13.487 -3.605 1.00 0.00 H new ATOM 0 HA ALA A 85 15.251 16.188 -4.594 1.00 0.00 H new ATOM 0 HB1 ALA A 85 17.461 15.905 -3.504 1.00 0.00 H new ATOM 0 HB2 ALA A 85 16.130 15.485 -2.400 1.00 0.00 H new ATOM 0 HB3 ALA A 85 17.077 14.197 -3.182 1.00 0.00 H new ATOM 1425 N LYS A 86 16.329 13.564 -6.166 1.00 0.00 N ATOM 1426 CA LYS A 86 16.991 13.091 -7.380 1.00 0.00 C ATOM 1427 C LYS A 86 16.005 13.050 -8.544 1.00 0.00 C ATOM 1428 O LYS A 86 16.111 12.204 -9.431 1.00 0.00 O ATOM 1429 CB LYS A 86 17.564 11.691 -7.147 1.00 0.00 C ATOM 1430 CG LYS A 86 16.463 10.764 -6.634 1.00 0.00 C ATOM 1431 CD LYS A 86 16.964 9.313 -6.626 1.00 0.00 C ATOM 1432 CE LYS A 86 16.709 8.668 -7.991 1.00 0.00 C ATOM 1433 NZ LYS A 86 15.243 8.632 -8.259 1.00 0.00 N ATOM 0 H LYS A 86 15.805 12.848 -5.664 1.00 0.00 H new ATOM 0 HA LYS A 86 17.799 13.780 -7.626 1.00 0.00 H new ATOM 0 HB2 LYS A 86 17.980 11.299 -8.075 1.00 0.00 H new ATOM 0 HB3 LYS A 86 18.380 11.737 -6.426 1.00 0.00 H new ATOM 0 HG2 LYS A 86 16.165 11.061 -5.628 1.00 0.00 H new ATOM 0 HG3 LYS A 86 15.579 10.849 -7.267 1.00 0.00 H new ATOM 0 HD2 LYS A 86 18.029 9.288 -6.395 1.00 0.00 H new ATOM 0 HD3 LYS A 86 16.455 8.747 -5.846 1.00 0.00 H new ATOM 0 HE2 LYS A 86 17.218 9.232 -8.772 1.00 0.00 H new ATOM 0 HE3 LYS A 86 17.118 7.658 -8.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 15.015 7.792 -8.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 14.726 8.590 -7.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 14.964 9.489 -8.778 1.00 0.00 H new ATOM 1447 N LEU A 87 15.045 13.968 -8.532 1.00 0.00 N ATOM 1448 CA LEU A 87 14.041 14.034 -9.582 1.00 0.00 C ATOM 1449 C LEU A 87 14.675 14.215 -10.960 1.00 0.00 C ATOM 1450 O LEU A 87 15.830 13.848 -11.177 1.00 0.00 O ATOM 1451 CB LEU A 87 13.088 15.193 -9.291 1.00 0.00 C ATOM 1452 CG LEU A 87 13.797 16.554 -9.448 1.00 0.00 C ATOM 1453 CD1 LEU A 87 13.042 17.589 -8.627 1.00 0.00 C ATOM 1454 CD2 LEU A 87 15.245 16.510 -8.936 1.00 0.00 C ATOM 0 H LEU A 87 14.943 14.676 -7.805 1.00 0.00 H new ATOM 0 HA LEU A 87 13.494 13.091 -9.594 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.235 15.144 -9.968 1.00 0.00 H new ATOM 0 HB3 LEU A 87 12.696 15.099 -8.278 1.00 0.00 H new ATOM 0 HG LEU A 87 13.812 16.805 -10.509 1.00 0.00 H new ATOM 0 HD11 LEU A 87 13.530 18.559 -8.726 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.016 17.661 -8.987 1.00 0.00 H new ATOM 0 HD13 LEU A 87 13.039 17.290 -7.579 1.00 0.00 H new ATOM 0 HD21 LEU A 87 15.707 17.489 -9.066 1.00 0.00 H new ATOM 0 HD22 LEU A 87 15.249 16.244 -7.879 1.00 0.00 H new ATOM 0 HD23 LEU A 87 15.808 15.766 -9.500 1.00 0.00 H new ATOM 1466 N GLU A 88 13.907 14.784 -11.885 1.00 0.00 N ATOM 1467 CA GLU A 88 14.392 15.011 -13.242 1.00 0.00 C ATOM 1468 C GLU A 88 15.767 15.670 -13.221 1.00 0.00 C ATOM 1469 O GLU A 88 16.457 15.718 -14.239 1.00 0.00 O ATOM 1470 CB GLU A 88 13.407 15.903 -14.002 1.00 0.00 C ATOM 1471 CG GLU A 88 13.733 15.876 -15.495 1.00 0.00 C ATOM 1472 CD GLU A 88 12.657 16.622 -16.277 1.00 0.00 C ATOM 1473 OE1 GLU A 88 12.393 16.234 -17.402 1.00 0.00 O ATOM 1474 OE2 GLU A 88 12.112 17.572 -15.737 1.00 0.00 O ATOM 0 H GLU A 88 12.950 15.095 -11.720 1.00 0.00 H new ATOM 0 HA GLU A 88 14.475 14.047 -13.744 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.387 15.557 -13.837 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.462 16.925 -13.626 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.706 16.334 -15.672 1.00 0.00 H new ATOM 0 HG3 GLU A 88 13.798 14.845 -15.843 1.00 0.00 H new ATOM 1481 N GLU A 89 16.157 16.177 -12.056 1.00 0.00 N ATOM 1482 CA GLU A 89 17.452 16.835 -11.904 1.00 0.00 C ATOM 1483 C GLU A 89 17.400 18.255 -12.466 1.00 0.00 C ATOM 1484 O GLU A 89 17.838 18.507 -13.589 1.00 0.00 O ATOM 1485 CB GLU A 89 18.543 16.029 -12.623 1.00 0.00 C ATOM 1486 CG GLU A 89 19.900 16.301 -11.969 1.00 0.00 C ATOM 1487 CD GLU A 89 19.986 15.581 -10.628 1.00 0.00 C ATOM 1488 OE1 GLU A 89 19.570 14.437 -10.565 1.00 0.00 O ATOM 1489 OE2 GLU A 89 20.468 16.186 -9.684 1.00 0.00 O ATOM 0 H GLU A 89 15.597 16.146 -11.204 1.00 0.00 H new ATOM 0 HA GLU A 89 17.689 16.887 -10.841 1.00 0.00 H new ATOM 0 HB2 GLU A 89 18.313 14.965 -12.576 1.00 0.00 H new ATOM 0 HB3 GLU A 89 18.575 16.302 -13.678 1.00 0.00 H new ATOM 0 HG2 GLU A 89 20.703 15.964 -12.624 1.00 0.00 H new ATOM 0 HG3 GLU A 89 20.035 17.373 -11.825 1.00 0.00 H new ATOM 1496 N ASN A 90 16.862 19.177 -11.676 1.00 0.00 N ATOM 1497 CA ASN A 90 16.758 20.568 -12.101 1.00 0.00 C ATOM 1498 C ASN A 90 16.356 21.457 -10.928 1.00 0.00 C ATOM 1499 O ASN A 90 15.538 21.067 -10.094 1.00 0.00 O ATOM 1500 CB ASN A 90 15.722 20.697 -13.220 1.00 0.00 C ATOM 1501 CG ASN A 90 15.820 22.075 -13.865 1.00 0.00 C ATOM 1502 OD1 ASN A 90 15.706 23.141 -13.122 1.00 0.00 O flip ATOM 1503 ND2 ASN A 90 16.004 22.182 -15.077 1.00 0.00 N flip ATOM 0 H ASN A 90 16.493 18.989 -10.744 1.00 0.00 H new ATOM 0 HA ASN A 90 17.732 20.890 -12.470 1.00 0.00 H new ATOM 0 HB2 ASN A 90 15.886 19.923 -13.970 1.00 0.00 H new ATOM 0 HB3 ASN A 90 14.720 20.545 -12.819 1.00 0.00 H new ATOM 0 HD21 ASN A 90 16.093 21.346 -15.655 1.00 0.00 H new ATOM 0 HD22 ASN A 90 16.068 23.106 -15.504 1.00 0.00 H new ATOM 1510 N SER A 91 16.935 22.651 -10.871 1.00 0.00 N ATOM 1511 CA SER A 91 16.630 23.586 -9.794 1.00 0.00 C ATOM 1512 C SER A 91 17.026 25.006 -10.187 1.00 0.00 C ATOM 1513 O SER A 91 17.866 25.628 -9.539 1.00 0.00 O ATOM 1514 CB SER A 91 17.380 23.182 -8.523 1.00 0.00 C ATOM 1515 OG SER A 91 17.374 24.271 -7.609 1.00 0.00 O ATOM 0 H SER A 91 17.613 22.993 -11.552 1.00 0.00 H new ATOM 0 HA SER A 91 15.556 23.557 -9.609 1.00 0.00 H new ATOM 0 HB2 SER A 91 16.909 22.310 -8.070 1.00 0.00 H new ATOM 0 HB3 SER A 91 18.405 22.901 -8.765 1.00 0.00 H new ATOM 0 HG SER A 91 18.001 24.959 -7.916 1.00 0.00 H new ATOM 1521 N ARG A 92 16.413 25.512 -11.255 1.00 0.00 N ATOM 1522 CA ARG A 92 16.709 26.862 -11.729 1.00 0.00 C ATOM 1523 C ARG A 92 15.623 27.835 -11.269 1.00 0.00 C ATOM 1524 O ARG A 92 14.750 27.479 -10.478 1.00 0.00 O ATOM 1525 CB ARG A 92 16.802 26.867 -13.264 1.00 0.00 C ATOM 1526 CG ARG A 92 18.219 27.256 -13.705 1.00 0.00 C ATOM 1527 CD ARG A 92 19.187 26.103 -13.417 1.00 0.00 C ATOM 1528 NE ARG A 92 19.288 25.230 -14.581 1.00 0.00 N ATOM 1529 CZ ARG A 92 20.129 25.502 -15.576 1.00 0.00 C ATOM 1530 NH1 ARG A 92 20.888 26.563 -15.516 1.00 0.00 N ATOM 1531 NH2 ARG A 92 20.196 24.709 -16.610 1.00 0.00 N ATOM 0 H ARG A 92 15.714 25.012 -11.805 1.00 0.00 H new ATOM 0 HA ARG A 92 17.664 27.181 -11.311 1.00 0.00 H new ATOM 0 HB2 ARG A 92 16.549 25.881 -13.655 1.00 0.00 H new ATOM 0 HB3 ARG A 92 16.078 27.569 -13.678 1.00 0.00 H new ATOM 0 HG2 ARG A 92 18.227 27.492 -14.769 1.00 0.00 H new ATOM 0 HG3 ARG A 92 18.541 28.154 -13.177 1.00 0.00 H new ATOM 0 HD2 ARG A 92 20.170 26.499 -13.163 1.00 0.00 H new ATOM 0 HD3 ARG A 92 18.840 25.534 -12.555 1.00 0.00 H new ATOM 0 HE ARG A 92 18.703 24.396 -14.633 1.00 0.00 H new ATOM 0 HH11 ARG A 92 20.836 27.182 -14.707 1.00 0.00 H new ATOM 0 HH12 ARG A 92 21.533 26.772 -16.278 1.00 0.00 H new ATOM 0 HH21 ARG A 92 19.604 23.880 -16.656 1.00 0.00 H new ATOM 0 HH22 ARG A 92 20.841 24.918 -17.372 1.00 0.00 H new ATOM 1545 N ASP A 93 15.690 29.064 -11.771 1.00 0.00 N ATOM 1546 CA ASP A 93 14.711 30.083 -11.406 1.00 0.00 C ATOM 1547 C ASP A 93 13.309 29.666 -11.840 1.00 0.00 C ATOM 1548 O ASP A 93 12.965 29.744 -13.019 1.00 0.00 O ATOM 1549 CB ASP A 93 15.078 31.414 -12.066 1.00 0.00 C ATOM 1550 CG ASP A 93 15.479 31.183 -13.519 1.00 0.00 C ATOM 1551 OD1 ASP A 93 16.648 30.923 -13.756 1.00 0.00 O ATOM 1552 OD2 ASP A 93 14.613 31.269 -14.373 1.00 0.00 O ATOM 0 H ASP A 93 16.406 29.377 -12.427 1.00 0.00 H new ATOM 0 HA ASP A 93 14.720 30.197 -10.322 1.00 0.00 H new ATOM 0 HB2 ASP A 93 14.231 32.099 -12.018 1.00 0.00 H new ATOM 0 HB3 ASP A 93 15.899 31.884 -11.524 1.00 0.00 H new ATOM 1557 N THR A 94 12.506 29.221 -10.877 1.00 0.00 N ATOM 1558 CA THR A 94 11.139 28.789 -11.161 1.00 0.00 C ATOM 1559 C THR A 94 10.132 29.680 -10.437 1.00 0.00 C ATOM 1560 O THR A 94 9.167 29.193 -9.849 1.00 0.00 O ATOM 1561 CB THR A 94 10.957 27.337 -10.712 1.00 0.00 C ATOM 1562 OG1 THR A 94 9.691 26.863 -11.150 1.00 0.00 O ATOM 1563 CG2 THR A 94 11.038 27.246 -9.184 1.00 0.00 C ATOM 0 H THR A 94 12.776 29.150 -9.896 1.00 0.00 H new ATOM 0 HA THR A 94 10.964 28.867 -12.234 1.00 0.00 H new ATOM 0 HB THR A 94 11.748 26.726 -11.147 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.986 27.455 -10.815 1.00 0.00 H new ATOM 0 HG21 THR A 94 10.907 26.209 -8.874 1.00 0.00 H new ATOM 0 HG22 THR A 94 12.011 27.605 -8.849 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.253 27.859 -8.741 1.00 0.00 H new ATOM 1571 N LEU A 95 10.363 30.988 -10.485 1.00 0.00 N ATOM 1572 CA LEU A 95 9.469 31.935 -9.829 1.00 0.00 C ATOM 1573 C LEU A 95 8.168 32.075 -10.616 1.00 0.00 C ATOM 1574 O LEU A 95 7.391 33.002 -10.385 1.00 0.00 O ATOM 1575 CB LEU A 95 10.138 33.311 -9.707 1.00 0.00 C ATOM 1576 CG LEU A 95 11.524 33.183 -9.053 1.00 0.00 C ATOM 1577 CD1 LEU A 95 11.426 32.337 -7.778 1.00 0.00 C ATOM 1578 CD2 LEU A 95 12.516 32.530 -10.028 1.00 0.00 C ATOM 0 H LEU A 95 11.155 31.414 -10.967 1.00 0.00 H new ATOM 0 HA LEU A 95 9.247 31.554 -8.832 1.00 0.00 H new ATOM 0 HB2 LEU A 95 10.236 33.762 -10.694 1.00 0.00 H new ATOM 0 HB3 LEU A 95 9.510 33.975 -9.114 1.00 0.00 H new ATOM 0 HG LEU A 95 11.881 34.181 -8.798 1.00 0.00 H new ATOM 0 HD11 LEU A 95 12.412 32.252 -7.321 1.00 0.00 H new ATOM 0 HD12 LEU A 95 10.741 32.814 -7.077 1.00 0.00 H new ATOM 0 HD13 LEU A 95 11.055 31.343 -8.028 1.00 0.00 H new ATOM 0 HD21 LEU A 95 13.493 32.446 -9.551 1.00 0.00 H new ATOM 0 HD22 LEU A 95 12.158 31.537 -10.300 1.00 0.00 H new ATOM 0 HD23 LEU A 95 12.602 33.143 -10.925 1.00 0.00 H new ATOM 1590 N TYR A 96 7.937 31.148 -11.540 1.00 0.00 N ATOM 1591 CA TYR A 96 6.727 31.174 -12.352 1.00 0.00 C ATOM 1592 C TYR A 96 6.585 32.517 -13.066 1.00 0.00 C ATOM 1593 O TYR A 96 6.465 33.563 -12.427 1.00 0.00 O ATOM 1594 CB TYR A 96 5.507 30.920 -11.463 1.00 0.00 C ATOM 1595 CG TYR A 96 4.246 31.347 -12.178 1.00 0.00 C ATOM 1596 CD1 TYR A 96 3.735 30.567 -13.222 1.00 0.00 C ATOM 1597 CD2 TYR A 96 3.587 32.523 -11.797 1.00 0.00 C ATOM 1598 CE1 TYR A 96 2.566 30.963 -13.885 1.00 0.00 C ATOM 1599 CE2 TYR A 96 2.419 32.919 -12.459 1.00 0.00 C ATOM 1600 CZ TYR A 96 1.909 32.139 -13.503 1.00 0.00 C ATOM 1601 OH TYR A 96 0.757 32.528 -14.156 1.00 0.00 O ATOM 0 H TYR A 96 8.568 30.373 -11.744 1.00 0.00 H new ATOM 0 HA TYR A 96 6.794 30.391 -13.107 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.448 29.862 -11.206 1.00 0.00 H new ATOM 0 HB3 TYR A 96 5.608 31.470 -10.527 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.242 29.660 -13.516 1.00 0.00 H new ATOM 0 HD2 TYR A 96 3.981 33.125 -10.991 1.00 0.00 H new ATOM 0 HE1 TYR A 96 2.172 30.361 -14.691 1.00 0.00 H new ATOM 0 HE2 TYR A 96 1.912 33.826 -12.164 1.00 0.00 H new ATOM 0 HH TYR A 96 0.427 33.365 -13.767 1.00 0.00 H new ATOM 1611 N GLN A 97 6.597 32.480 -14.394 1.00 0.00 N ATOM 1612 CA GLN A 97 6.468 33.698 -15.184 1.00 0.00 C ATOM 1613 C GLN A 97 6.156 33.364 -16.640 1.00 0.00 C ATOM 1614 O GLN A 97 5.421 34.090 -17.309 1.00 0.00 O ATOM 1615 CB GLN A 97 7.765 34.506 -15.111 1.00 0.00 C ATOM 1616 CG GLN A 97 8.958 33.580 -15.354 1.00 0.00 C ATOM 1617 CD GLN A 97 10.252 34.386 -15.350 1.00 0.00 C ATOM 1618 OE1 GLN A 97 10.640 34.934 -14.318 1.00 0.00 O ATOM 1619 NE2 GLN A 97 10.948 34.490 -16.449 1.00 0.00 N ATOM 0 H GLN A 97 6.694 31.626 -14.943 1.00 0.00 H new ATOM 0 HA GLN A 97 5.648 34.288 -14.776 1.00 0.00 H new ATOM 0 HB2 GLN A 97 7.752 35.302 -15.855 1.00 0.00 H new ATOM 0 HB3 GLN A 97 7.854 34.983 -14.135 1.00 0.00 H new ATOM 0 HG2 GLN A 97 8.996 32.812 -14.582 1.00 0.00 H new ATOM 0 HG3 GLN A 97 8.842 33.067 -16.309 1.00 0.00 H new ATOM 0 HE21 GLN A 97 10.624 34.035 -17.303 1.00 0.00 H new ATOM 0 HE22 GLN A 97 11.816 35.026 -16.454 1.00 0.00 H new ATOM 1628 N ASN A 98 6.719 32.261 -17.123 1.00 0.00 N ATOM 1629 CA ASN A 98 6.495 31.840 -18.500 1.00 0.00 C ATOM 1630 C ASN A 98 6.831 30.362 -18.670 1.00 0.00 C ATOM 1631 O ASN A 98 8.001 29.979 -18.682 1.00 0.00 O ATOM 1632 CB ASN A 98 7.358 32.674 -19.449 1.00 0.00 C ATOM 1633 CG ASN A 98 6.801 34.090 -19.551 1.00 0.00 C ATOM 1634 OD1 ASN A 98 7.135 34.950 -18.736 1.00 0.00 O ATOM 1635 ND2 ASN A 98 5.967 34.385 -20.511 1.00 0.00 N ATOM 0 H ASN A 98 7.330 31.646 -16.585 1.00 0.00 H new ATOM 0 HA ASN A 98 5.442 31.992 -18.739 1.00 0.00 H new ATOM 0 HB2 ASN A 98 8.386 32.704 -19.088 1.00 0.00 H new ATOM 0 HB3 ASN A 98 7.380 32.211 -20.436 1.00 0.00 H new ATOM 0 HD21 ASN A 98 5.591 35.330 -20.587 1.00 0.00 H new ATOM 0 HD22 ASN A 98 5.692 33.671 -21.185 1.00 0.00 H new ATOM 1642 N SER A 99 5.798 29.537 -18.804 1.00 0.00 N ATOM 1643 CA SER A 99 5.995 28.102 -18.973 1.00 0.00 C ATOM 1644 C SER A 99 4.727 27.448 -19.511 1.00 0.00 C ATOM 1645 O SER A 99 4.789 26.542 -20.342 1.00 0.00 O ATOM 1646 CB SER A 99 6.373 27.464 -17.637 1.00 0.00 C ATOM 1647 OG SER A 99 6.435 26.053 -17.791 1.00 0.00 O ATOM 0 H SER A 99 4.822 29.835 -18.799 1.00 0.00 H new ATOM 0 HA SER A 99 6.803 27.948 -19.689 1.00 0.00 H new ATOM 0 HB2 SER A 99 7.335 27.847 -17.298 1.00 0.00 H new ATOM 0 HB3 SER A 99 5.639 27.726 -16.875 1.00 0.00 H new ATOM 0 HG SER A 99 6.679 25.641 -16.936 1.00 0.00 H new ATOM 1653 N GLY A 100 3.579 27.912 -19.030 1.00 0.00 N ATOM 1654 CA GLY A 100 2.301 27.364 -19.470 1.00 0.00 C ATOM 1655 C GLY A 100 2.178 27.421 -20.988 1.00 0.00 C ATOM 1656 O GLY A 100 3.081 27.947 -21.617 1.00 0.00 O ATOM 1657 OXT GLY A 100 1.183 26.936 -21.502 1.00 0.00 O ATOM 0 H GLY A 100 3.507 28.660 -18.341 1.00 0.00 H new ATOM 0 HA2 GLY A 100 2.208 26.332 -19.132 1.00 0.00 H new ATOM 0 HA3 GLY A 100 1.484 27.924 -19.014 1.00 0.00 H new TER 1661 GLY A 100