USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 917 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: B 52 ASN : amide:sc= -4.59! C(o=-4.4!,f=-11!) USER MOD Set 1.2: B 58 LYS NZ :NH3+ -124:sc= 0.148 (180deg=0.0963) USER MOD Set 2.1: A 11 ASN : amide:sc= 0 X(o=0.53,f=0.38) USER MOD Set 2.2: B 28 LYS NZ :NH3+ -153:sc= 0.534 (180deg=0.224) USER MOD Set 3.1: B 23 ASN : amide:sc= -2.62 K(o=-6.9,f=-19!) USER MOD Set 3.2: B 26 GLN : amide:sc= -2.31 K(o=-6.9,f=-13!) USER MOD Set 3.3: B 55 GLN : amide:sc= -1.95 X(o=-6.9,f=-7.4) USER MOD Set 4.1: A 28 ASN : amide:sc= -5.45! C(o=-5.5!,f=-12!) USER MOD Set 4.2: B 10 SER OG : rot 180:sc=-0.00412 USER MOD Set 5.1: A 23 ASN : amide:sc= -0.69 K(o=-2.5,f=-11!) USER MOD Set 5.2: A 26 GLN : amide:sc= -1.01 K(o=-2.5,f=-7!) USER MOD Set 5.3: A 55 GLN : amide:sc= -0.802 K(o=-2.5,f=-11!) USER MOD Set 6.1: A 14 TYR OH : rot 131:sc= -0.607 USER MOD Set 6.2: A 18 HIS : no HD1:sc= -22.4! C(o=-23!,f=-26!) USER MOD Single : A 1 VAL N :NH3+ -159:sc= -0.037 (180deg=-0.526) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.0935) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ -166:sc= 0.0265 (180deg=-0.0102) USER MOD Single : A 9 GLN : amide:sc= -1.83 K(o=-1.8,f=-1) USER MOD Single : A 10 GLN : amide:sc= -2.06 K(o=-2.1,f=-1.3) USER MOD Single : A 21 ASN : amide:sc= -1.16 K(o=-1.2,f=-2.4) USER MOD Single : A 32 GLN : amide:sc= -0.592 K(o=-0.59,f=-2.1!) USER MOD Single : A 33 SER OG : rot 23:sc= 0.0593 USER MOD Single : A 35 LYS NZ :NH3+ 171:sc= 0.16 (180deg=0.0492) USER MOD Single : A 39 SER OG : rot 28:sc= 0.00616 USER MOD Single : A 40 GLN : amide:sc= -0.036 X(o=-0.036,f=0) USER MOD Single : A 41 SER OG : rot 1:sc= -1.96! USER MOD Single : A 43 ASN : amide:sc=-0.00181 X(o=-0.0018,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.34! C(o=-1.3!,f=-9.5!) USER MOD Single : A 58 LYS NZ :NH3+ -177:sc= 0.21 (180deg=0.209) USER MOD Single : B 1 VAL N :NH3+ 166:sc= -0.669 (180deg=-0.941) USER MOD Single : B 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 4 LYS NZ :NH3+ 174:sc=-0.000811 (180deg=-0.0364) USER MOD Single : B 6 ASN : amide:sc= -2.15 K(o=-2.2,f=-3.9!) USER MOD Single : B 7 LYS NZ :NH3+ -172:sc= 0.289 (180deg=0.0921) USER MOD Single : B 18 THR OG1 : rot -84:sc= 1.28 USER MOD Single : B 21 ASN : amide:sc= -2.11! C(o=-2.1!,f=-3.2!) USER MOD Single : B 27 LYS NZ :NH3+ -169:sc= 0.0938 (180deg=0.03) USER MOD Single : B 33 SER OG : rot -10:sc= -1.96! USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 41 SER OG : rot -92:sc= 0.597 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ -164:sc= 0.276 (180deg=0.158) USER MOD Single : B 50 LYS NZ :NH3+ -176:sc= -1.38 (180deg=-1.54) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -0.418 -22.272 7.238 1.00 0.00 N ATOM 2 CA VAL A 1 -0.165 -20.893 6.697 1.00 0.00 C ATOM 3 C VAL A 1 0.692 -20.084 7.690 1.00 0.00 C ATOM 4 O VAL A 1 0.444 -20.099 8.886 1.00 0.00 O ATOM 5 CB VAL A 1 -1.558 -20.243 6.515 1.00 0.00 C ATOM 6 CG1 VAL A 1 -1.410 -18.757 6.150 1.00 0.00 C ATOM 7 CG2 VAL A 1 -2.325 -20.952 5.390 1.00 0.00 C ATOM 0 H1 VAL A 1 -0.670 -22.911 6.457 1.00 0.00 H new ATOM 0 H2 VAL A 1 0.440 -22.623 7.709 1.00 0.00 H new ATOM 0 H3 VAL A 1 -1.200 -22.238 7.923 1.00 0.00 H new ATOM 0 HA VAL A 1 0.380 -20.922 5.753 1.00 0.00 H new ATOM 0 HB VAL A 1 -2.104 -20.336 7.453 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -2.398 -18.313 6.025 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -0.877 -18.238 6.947 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -0.850 -18.665 5.219 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -3.304 -20.488 5.269 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -1.765 -20.867 4.458 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -2.451 -22.005 5.643 1.00 0.00 H new ATOM 19 N ASP A 2 1.686 -19.374 7.194 1.00 0.00 N ATOM 20 CA ASP A 2 2.559 -18.548 8.092 1.00 0.00 C ATOM 21 C ASP A 2 1.861 -17.210 8.401 1.00 0.00 C ATOM 22 O ASP A 2 1.711 -16.366 7.534 1.00 0.00 O ATOM 23 CB ASP A 2 3.866 -18.336 7.306 1.00 0.00 C ATOM 24 CG ASP A 2 4.889 -17.597 8.173 1.00 0.00 C ATOM 25 OD1 ASP A 2 5.528 -18.239 8.990 1.00 0.00 O ATOM 26 OD2 ASP A 2 5.014 -16.400 8.005 1.00 0.00 O ATOM 0 H ASP A 2 1.928 -19.333 6.204 1.00 0.00 H new ATOM 0 HA ASP A 2 2.755 -19.029 9.050 1.00 0.00 H new ATOM 0 HB2 ASP A 2 4.271 -19.298 6.993 1.00 0.00 H new ATOM 0 HB3 ASP A 2 3.666 -17.764 6.400 1.00 0.00 H new ATOM 31 N ASN A 3 1.426 -17.034 9.634 1.00 0.00 N ATOM 32 CA ASN A 3 0.713 -15.765 10.045 1.00 0.00 C ATOM 33 C ASN A 3 1.609 -14.521 9.876 1.00 0.00 C ATOM 34 O ASN A 3 1.117 -13.455 9.541 1.00 0.00 O ATOM 35 CB ASN A 3 0.341 -15.956 11.523 1.00 0.00 C ATOM 36 CG ASN A 3 -0.759 -17.018 11.652 1.00 0.00 C ATOM 37 OD1 ASN A 3 -1.900 -16.772 11.309 1.00 0.00 O ATOM 38 ND2 ASN A 3 -0.468 -18.198 12.133 1.00 0.00 N ATOM 0 H ASN A 3 1.534 -17.720 10.381 1.00 0.00 H new ATOM 0 HA ASN A 3 -0.162 -15.596 9.418 1.00 0.00 H new ATOM 0 HB2 ASN A 3 1.220 -16.259 12.092 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -0.002 -15.012 11.946 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -1.196 -18.907 12.219 1.00 0.00 H new ATOM 0 HD22 ASN A 3 0.487 -18.410 12.422 1.00 0.00 H new ATOM 45 N LYS A 4 2.907 -14.648 10.107 1.00 0.00 N ATOM 46 CA LYS A 4 3.841 -13.473 9.959 1.00 0.00 C ATOM 47 C LYS A 4 3.763 -12.902 8.534 1.00 0.00 C ATOM 48 O LYS A 4 3.338 -11.778 8.350 1.00 0.00 O ATOM 49 CB LYS A 4 5.241 -14.046 10.263 1.00 0.00 C ATOM 50 CG LYS A 4 6.344 -13.013 9.979 1.00 0.00 C ATOM 51 CD LYS A 4 7.710 -13.614 10.339 1.00 0.00 C ATOM 52 CE LYS A 4 8.095 -14.690 9.308 1.00 0.00 C ATOM 53 NZ LYS A 4 7.945 -16.006 10.007 1.00 0.00 N ATOM 0 H LYS A 4 3.357 -15.518 10.392 1.00 0.00 H new ATOM 0 HA LYS A 4 3.590 -12.649 10.627 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.290 -14.355 11.307 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.410 -14.937 9.658 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.326 -12.726 8.928 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.168 -12.108 10.560 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.468 -12.831 10.361 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.674 -14.050 11.337 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.450 -14.638 8.431 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.118 -14.548 8.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.925 -16.772 9.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.747 -16.149 10.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.058 -16.012 10.550 1.00 0.00 H new ATOM 67 N PHE A 5 4.148 -13.671 7.534 1.00 0.00 N ATOM 68 CA PHE A 5 4.089 -13.178 6.119 1.00 0.00 C ATOM 69 C PHE A 5 2.642 -12.956 5.657 1.00 0.00 C ATOM 70 O PHE A 5 2.407 -12.133 4.794 1.00 0.00 O ATOM 71 CB PHE A 5 4.799 -14.238 5.257 1.00 0.00 C ATOM 72 CG PHE A 5 6.284 -14.243 5.576 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.988 -13.033 5.693 1.00 0.00 C ATOM 74 CD2 PHE A 5 6.952 -15.456 5.771 1.00 0.00 C ATOM 75 CE1 PHE A 5 8.349 -13.041 6.003 1.00 0.00 C ATOM 76 CE2 PHE A 5 8.316 -15.461 6.085 1.00 0.00 C ATOM 77 CZ PHE A 5 9.012 -14.254 6.199 1.00 0.00 C ATOM 0 H PHE A 5 4.501 -14.622 7.642 1.00 0.00 H new ATOM 0 HA PHE A 5 4.580 -12.209 6.027 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.372 -15.223 5.449 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.645 -14.024 4.199 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.475 -12.095 5.543 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.415 -16.389 5.679 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.889 -12.110 6.091 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.831 -16.398 6.239 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.065 -14.260 6.439 1.00 0.00 H new ATOM 87 N ASN A 6 1.672 -13.665 6.226 1.00 0.00 N ATOM 88 CA ASN A 6 0.238 -13.466 5.809 1.00 0.00 C ATOM 89 C ASN A 6 -0.133 -11.972 5.895 1.00 0.00 C ATOM 90 O ASN A 6 -0.607 -11.410 4.933 1.00 0.00 O ATOM 91 CB ASN A 6 -0.601 -14.296 6.798 1.00 0.00 C ATOM 92 CG ASN A 6 -2.067 -14.314 6.351 1.00 0.00 C ATOM 93 OD1 ASN A 6 -2.882 -13.587 6.883 1.00 0.00 O ATOM 94 ND2 ASN A 6 -2.442 -15.118 5.393 1.00 0.00 N ATOM 0 H ASN A 6 1.816 -14.365 6.954 1.00 0.00 H new ATOM 0 HA ASN A 6 0.062 -13.780 4.780 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -0.215 -15.314 6.851 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -0.522 -13.873 7.800 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -3.417 -15.134 5.093 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -1.760 -15.730 4.944 1.00 0.00 H new ATOM 101 N LYS A 7 0.113 -11.326 7.025 1.00 0.00 N ATOM 102 CA LYS A 7 -0.191 -9.857 7.144 1.00 0.00 C ATOM 103 C LYS A 7 1.047 -8.983 6.846 1.00 0.00 C ATOM 104 O LYS A 7 0.893 -7.817 6.540 1.00 0.00 O ATOM 105 CB LYS A 7 -0.681 -9.640 8.582 1.00 0.00 C ATOM 106 CG LYS A 7 -1.000 -8.161 8.825 1.00 0.00 C ATOM 107 CD LYS A 7 0.188 -7.411 9.450 1.00 0.00 C ATOM 108 CE LYS A 7 0.619 -8.063 10.777 1.00 0.00 C ATOM 109 NZ LYS A 7 1.996 -8.596 10.534 1.00 0.00 N ATOM 0 H LYS A 7 0.509 -11.754 7.862 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.943 -9.561 6.413 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.570 -10.244 8.764 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.081 -9.974 9.286 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.271 -7.689 7.881 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.866 -8.080 9.482 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.027 -7.407 8.754 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.086 -6.371 9.625 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.618 -7.336 11.590 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.066 -8.862 11.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.255 -9.250 11.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.017 -9.102 9.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.674 -7.808 10.507 1.00 0.00 H new ATOM 123 N GLU A 8 2.265 -9.512 6.930 1.00 0.00 N ATOM 124 CA GLU A 8 3.474 -8.660 6.649 1.00 0.00 C ATOM 125 C GLU A 8 3.450 -8.172 5.217 1.00 0.00 C ATOM 126 O GLU A 8 3.857 -7.069 4.949 1.00 0.00 O ATOM 127 CB GLU A 8 4.718 -9.524 6.892 1.00 0.00 C ATOM 128 CG GLU A 8 5.135 -9.439 8.365 1.00 0.00 C ATOM 129 CD GLU A 8 5.436 -7.979 8.751 1.00 0.00 C ATOM 130 OE1 GLU A 8 6.342 -7.398 8.169 1.00 0.00 O ATOM 131 OE2 GLU A 8 4.756 -7.470 9.628 1.00 0.00 O ATOM 0 H GLU A 8 2.464 -10.481 7.177 1.00 0.00 H new ATOM 0 HA GLU A 8 3.483 -7.786 7.300 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.510 -10.560 6.623 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.535 -9.187 6.254 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.340 -9.834 8.998 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.016 -10.057 8.537 1.00 0.00 H new ATOM 138 N GLN A 9 2.948 -8.971 4.303 1.00 0.00 N ATOM 139 CA GLN A 9 2.860 -8.526 2.891 1.00 0.00 C ATOM 140 C GLN A 9 1.948 -7.281 2.817 1.00 0.00 C ATOM 141 O GLN A 9 2.244 -6.351 2.101 1.00 0.00 O ATOM 142 CB GLN A 9 2.257 -9.680 2.093 1.00 0.00 C ATOM 143 CG GLN A 9 3.179 -10.903 2.089 1.00 0.00 C ATOM 144 CD GLN A 9 2.479 -12.047 1.356 1.00 0.00 C ATOM 145 OE1 GLN A 9 1.906 -12.920 1.977 1.00 0.00 O ATOM 146 NE2 GLN A 9 2.490 -12.079 0.047 1.00 0.00 N ATOM 0 H GLN A 9 2.597 -9.912 4.483 1.00 0.00 H new ATOM 0 HA GLN A 9 3.838 -8.262 2.488 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.291 -9.953 2.519 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.074 -9.358 1.068 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.122 -10.662 1.599 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.417 -11.199 3.111 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.970 -11.347 -0.477 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.018 -12.835 -0.449 1.00 0.00 H new ATOM 155 N GLN A 10 0.874 -7.242 3.608 1.00 0.00 N ATOM 156 CA GLN A 10 -0.012 -6.017 3.630 1.00 0.00 C ATOM 157 C GLN A 10 0.624 -4.942 4.498 1.00 0.00 C ATOM 158 O GLN A 10 0.572 -3.799 4.144 1.00 0.00 O ATOM 159 CB GLN A 10 -1.432 -6.317 4.159 1.00 0.00 C ATOM 160 CG GLN A 10 -1.700 -7.764 4.596 1.00 0.00 C ATOM 161 CD GLN A 10 -2.057 -8.634 3.387 1.00 0.00 C ATOM 162 OE1 GLN A 10 -3.064 -8.417 2.745 1.00 0.00 O ATOM 163 NE2 GLN A 10 -1.275 -9.626 3.054 1.00 0.00 N ATOM 0 H GLN A 10 0.582 -7.998 4.228 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.109 -5.676 2.599 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -1.627 -5.661 5.007 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.150 -6.055 3.382 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -0.819 -8.168 5.095 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.514 -7.786 5.320 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -0.428 -9.811 3.592 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.511 -10.216 2.256 1.00 0.00 H new ATOM 172 N ASN A 11 1.234 -5.285 5.622 1.00 0.00 N ATOM 173 CA ASN A 11 1.885 -4.224 6.468 1.00 0.00 C ATOM 174 C ASN A 11 3.045 -3.604 5.682 1.00 0.00 C ATOM 175 O ASN A 11 3.202 -2.408 5.654 1.00 0.00 O ATOM 176 CB ASN A 11 2.407 -4.916 7.732 1.00 0.00 C ATOM 177 CG ASN A 11 2.578 -3.879 8.847 1.00 0.00 C ATOM 178 OD1 ASN A 11 1.615 -3.474 9.467 1.00 0.00 O ATOM 179 ND2 ASN A 11 3.772 -3.425 9.127 1.00 0.00 N ATOM 0 H ASN A 11 1.307 -6.237 5.982 1.00 0.00 H new ATOM 0 HA ASN A 11 1.184 -3.432 6.732 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.712 -5.694 8.047 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.359 -5.404 7.525 1.00 0.00 H new ATOM 0 HD21 ASN A 11 3.894 -2.732 9.865 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.581 -3.764 8.607 1.00 0.00 H new ATOM 186 N ALA A 12 3.828 -4.430 5.012 1.00 0.00 N ATOM 187 CA ALA A 12 4.954 -3.914 4.176 1.00 0.00 C ATOM 188 C ALA A 12 4.381 -3.130 2.998 1.00 0.00 C ATOM 189 O ALA A 12 4.814 -2.032 2.725 1.00 0.00 O ATOM 190 CB ALA A 12 5.704 -5.145 3.670 1.00 0.00 C ATOM 0 H ALA A 12 3.728 -5.445 5.014 1.00 0.00 H new ATOM 0 HA ALA A 12 5.614 -3.254 4.739 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.543 -4.830 3.049 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.076 -5.719 4.519 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.029 -5.765 3.080 1.00 0.00 H new ATOM 196 N PHE A 13 3.373 -3.679 2.336 1.00 0.00 N ATOM 197 CA PHE A 13 2.705 -2.959 1.196 1.00 0.00 C ATOM 198 C PHE A 13 2.183 -1.620 1.719 1.00 0.00 C ATOM 199 O PHE A 13 2.515 -0.568 1.212 1.00 0.00 O ATOM 200 CB PHE A 13 1.525 -3.874 0.785 1.00 0.00 C ATOM 201 CG PHE A 13 0.578 -3.134 -0.117 1.00 0.00 C ATOM 202 CD1 PHE A 13 1.055 -2.533 -1.279 1.00 0.00 C ATOM 203 CD2 PHE A 13 -0.784 -3.083 0.191 1.00 0.00 C ATOM 204 CE1 PHE A 13 0.179 -1.889 -2.133 1.00 0.00 C ATOM 205 CE2 PHE A 13 -1.662 -2.430 -0.661 1.00 0.00 C ATOM 206 CZ PHE A 13 -1.184 -1.839 -1.823 1.00 0.00 C ATOM 0 H PHE A 13 2.986 -4.600 2.542 1.00 0.00 H new ATOM 0 HA PHE A 13 3.370 -2.764 0.355 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.904 -4.760 0.276 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.996 -4.218 1.674 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.109 -2.570 -1.513 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.153 -3.552 1.092 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.546 -1.426 -3.037 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.714 -2.381 -0.422 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.869 -1.338 -2.491 1.00 0.00 H new ATOM 216 N TYR A 14 1.395 -1.700 2.762 1.00 0.00 N ATOM 217 CA TYR A 14 0.812 -0.507 3.433 1.00 0.00 C ATOM 218 C TYR A 14 1.914 0.502 3.773 1.00 0.00 C ATOM 219 O TYR A 14 1.854 1.637 3.355 1.00 0.00 O ATOM 220 CB TYR A 14 0.209 -1.104 4.700 1.00 0.00 C ATOM 221 CG TYR A 14 -0.437 -0.054 5.542 1.00 0.00 C ATOM 222 CD1 TYR A 14 -1.724 0.378 5.237 1.00 0.00 C ATOM 223 CD2 TYR A 14 0.239 0.448 6.655 1.00 0.00 C ATOM 224 CE1 TYR A 14 -2.337 1.308 6.042 1.00 0.00 C ATOM 225 CE2 TYR A 14 -0.369 1.405 7.462 1.00 0.00 C ATOM 226 CZ TYR A 14 -1.657 1.840 7.162 1.00 0.00 C ATOM 227 OH TYR A 14 -2.269 2.791 7.962 1.00 0.00 O ATOM 0 H TYR A 14 1.124 -2.585 3.190 1.00 0.00 H new ATOM 0 HA TYR A 14 0.088 0.034 2.824 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.527 -1.862 4.432 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.988 -1.605 5.275 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.238 -0.015 4.373 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.232 0.094 6.890 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.342 1.634 5.818 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.155 1.808 8.316 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.184 2.530 8.903 1.00 0.00 H new ATOM 237 N GLU A 15 2.930 0.081 4.502 1.00 0.00 N ATOM 238 CA GLU A 15 4.047 1.013 4.857 1.00 0.00 C ATOM 239 C GLU A 15 4.717 1.540 3.579 1.00 0.00 C ATOM 240 O GLU A 15 4.947 2.722 3.479 1.00 0.00 O ATOM 241 CB GLU A 15 5.020 0.198 5.715 1.00 0.00 C ATOM 242 CG GLU A 15 4.409 -0.100 7.100 1.00 0.00 C ATOM 243 CD GLU A 15 4.136 1.209 7.859 1.00 0.00 C ATOM 244 OE1 GLU A 15 5.084 1.938 8.115 1.00 0.00 O ATOM 245 OE2 GLU A 15 2.985 1.452 8.181 1.00 0.00 O ATOM 0 H GLU A 15 3.029 -0.868 4.864 1.00 0.00 H new ATOM 0 HA GLU A 15 3.696 1.887 5.405 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.262 -0.737 5.210 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.954 0.747 5.835 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.481 -0.660 6.982 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.089 -0.727 7.677 1.00 0.00 H new ATOM 252 N ILE A 16 4.975 0.694 2.580 1.00 0.00 N ATOM 253 CA ILE A 16 5.571 1.205 1.281 1.00 0.00 C ATOM 254 C ILE A 16 4.697 2.366 0.751 1.00 0.00 C ATOM 255 O ILE A 16 5.201 3.410 0.370 1.00 0.00 O ATOM 256 CB ILE A 16 5.588 -0.016 0.318 1.00 0.00 C ATOM 257 CG1 ILE A 16 6.934 -0.732 0.488 1.00 0.00 C ATOM 258 CG2 ILE A 16 5.410 0.401 -1.153 1.00 0.00 C ATOM 259 CD1 ILE A 16 6.733 -2.239 0.484 1.00 0.00 C ATOM 0 H ILE A 16 4.801 -0.311 2.610 1.00 0.00 H new ATOM 0 HA ILE A 16 6.580 1.601 1.394 1.00 0.00 H new ATOM 0 HB ILE A 16 4.754 -0.671 0.569 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.610 -0.446 -0.318 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.403 -0.423 1.422 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.429 -0.485 -1.787 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.455 0.913 -1.273 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.220 1.071 -1.442 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.696 -2.735 0.605 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.074 -2.520 1.305 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.285 -2.544 -0.462 1.00 0.00 H new ATOM 271 N LEU A 17 3.395 2.181 0.766 1.00 0.00 N ATOM 272 CA LEU A 17 2.443 3.262 0.308 1.00 0.00 C ATOM 273 C LEU A 17 2.425 4.451 1.291 1.00 0.00 C ATOM 274 O LEU A 17 2.403 5.595 0.881 1.00 0.00 O ATOM 275 CB LEU A 17 1.052 2.615 0.306 1.00 0.00 C ATOM 276 CG LEU A 17 0.986 1.486 -0.717 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.213 0.330 -0.155 1.00 0.00 C ATOM 278 CD2 LEU A 17 0.212 1.904 -1.930 1.00 0.00 C ATOM 0 H LEU A 17 2.943 1.322 1.078 1.00 0.00 H new ATOM 0 HA LEU A 17 2.743 3.643 -0.668 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.824 2.227 1.299 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.296 3.366 0.076 1.00 0.00 H new ATOM 0 HG LEU A 17 2.016 1.227 -0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.171 -0.472 -0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.705 -0.032 0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.799 0.653 0.088 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.181 1.080 -2.643 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.804 2.171 -1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.696 2.765 -2.391 1.00 0.00 H new ATOM 290 N HIS A 18 2.404 4.177 2.587 1.00 0.00 N ATOM 291 CA HIS A 18 2.348 5.279 3.616 1.00 0.00 C ATOM 292 C HIS A 18 3.686 6.042 3.747 1.00 0.00 C ATOM 293 O HIS A 18 3.691 7.166 4.221 1.00 0.00 O ATOM 294 CB HIS A 18 2.016 4.600 4.958 1.00 0.00 C ATOM 295 CG HIS A 18 0.549 4.288 5.035 1.00 0.00 C ATOM 296 ND1 HIS A 18 -0.408 5.235 5.390 1.00 0.00 N ATOM 297 CD2 HIS A 18 -0.163 3.152 4.766 1.00 0.00 C ATOM 298 CE1 HIS A 18 -1.607 4.627 5.301 1.00 0.00 C ATOM 299 NE2 HIS A 18 -1.492 3.401 4.923 1.00 0.00 N ATOM 0 H HIS A 18 2.423 3.234 2.974 1.00 0.00 H new ATOM 0 HA HIS A 18 1.601 6.015 3.318 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.596 3.683 5.063 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.300 5.253 5.784 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.263 2.204 4.474 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.549 5.108 5.520 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.254 2.740 4.770 1.00 0.00 H new ATOM 307 N LEU A 19 4.813 5.444 3.366 1.00 0.00 N ATOM 308 CA LEU A 19 6.145 6.148 3.506 1.00 0.00 C ATOM 309 C LEU A 19 6.117 7.503 2.764 1.00 0.00 C ATOM 310 O LEU A 19 5.879 7.544 1.567 1.00 0.00 O ATOM 311 CB LEU A 19 7.205 5.208 2.892 1.00 0.00 C ATOM 312 CG LEU A 19 7.604 4.105 3.896 1.00 0.00 C ATOM 313 CD1 LEU A 19 8.529 3.093 3.212 1.00 0.00 C ATOM 314 CD2 LEU A 19 8.328 4.713 5.105 1.00 0.00 C ATOM 0 H LEU A 19 4.863 4.506 2.968 1.00 0.00 H new ATOM 0 HA LEU A 19 6.373 6.360 4.551 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.812 4.754 1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.086 5.783 2.606 1.00 0.00 H new ATOM 0 HG LEU A 19 6.698 3.606 4.239 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.808 2.316 3.924 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.011 2.641 2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.426 3.601 2.859 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.601 3.921 5.802 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.228 5.227 4.769 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.669 5.423 5.604 1.00 0.00 H new ATOM 326 N PRO A 20 6.335 8.576 3.518 1.00 0.00 N ATOM 327 CA PRO A 20 6.304 9.962 2.945 1.00 0.00 C ATOM 328 C PRO A 20 7.422 10.240 1.917 1.00 0.00 C ATOM 329 O PRO A 20 7.293 11.164 1.132 1.00 0.00 O ATOM 330 CB PRO A 20 6.467 10.860 4.174 1.00 0.00 C ATOM 331 CG PRO A 20 7.153 10.002 5.183 1.00 0.00 C ATOM 332 CD PRO A 20 6.633 8.611 4.965 1.00 0.00 C ATOM 0 HA PRO A 20 5.385 10.132 2.384 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.057 11.746 3.941 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.501 11.208 4.541 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.235 10.039 5.055 1.00 0.00 H new ATOM 0 HG3 PRO A 20 6.940 10.344 6.196 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.372 7.859 5.241 1.00 0.00 H new ATOM 0 HD3 PRO A 20 5.742 8.417 5.563 1.00 0.00 H new ATOM 340 N ASN A 21 8.504 9.474 1.895 1.00 0.00 N ATOM 341 CA ASN A 21 9.589 9.746 0.898 1.00 0.00 C ATOM 342 C ASN A 21 9.644 8.655 -0.191 1.00 0.00 C ATOM 343 O ASN A 21 10.539 8.664 -1.022 1.00 0.00 O ATOM 344 CB ASN A 21 10.885 9.816 1.717 1.00 0.00 C ATOM 345 CG ASN A 21 10.839 11.039 2.646 1.00 0.00 C ATOM 346 OD1 ASN A 21 10.782 12.163 2.187 1.00 0.00 O ATOM 347 ND2 ASN A 21 10.859 10.869 3.941 1.00 0.00 N ATOM 0 H ASN A 21 8.673 8.685 2.519 1.00 0.00 H new ATOM 0 HA ASN A 21 9.417 10.675 0.355 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.007 8.905 2.303 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.745 9.884 1.051 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.827 11.677 4.562 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.907 9.928 4.331 1.00 0.00 H new ATOM 354 N LEU A 22 8.674 7.745 -0.234 1.00 0.00 N ATOM 355 CA LEU A 22 8.666 6.707 -1.312 1.00 0.00 C ATOM 356 C LEU A 22 7.908 7.254 -2.519 1.00 0.00 C ATOM 357 O LEU A 22 6.852 7.854 -2.386 1.00 0.00 O ATOM 358 CB LEU A 22 7.958 5.450 -0.755 1.00 0.00 C ATOM 359 CG LEU A 22 8.929 4.525 0.023 1.00 0.00 C ATOM 360 CD1 LEU A 22 8.497 3.070 -0.156 1.00 0.00 C ATOM 361 CD2 LEU A 22 10.362 4.650 -0.491 1.00 0.00 C ATOM 0 H LEU A 22 7.901 7.687 0.429 1.00 0.00 H new ATOM 0 HA LEU A 22 9.679 6.452 -1.622 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.145 5.755 -0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.510 4.893 -1.578 1.00 0.00 H new ATOM 0 HG LEU A 22 8.897 4.825 1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.179 2.418 0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.485 2.941 0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.519 2.812 -1.215 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.012 3.987 0.079 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.396 4.374 -1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.702 5.679 -0.375 1.00 0.00 H new ATOM 373 N ASN A 23 8.446 7.038 -3.688 1.00 0.00 N ATOM 374 CA ASN A 23 7.781 7.528 -4.943 1.00 0.00 C ATOM 375 C ASN A 23 7.222 6.352 -5.738 1.00 0.00 C ATOM 376 O ASN A 23 7.231 5.228 -5.277 1.00 0.00 O ATOM 377 CB ASN A 23 8.852 8.295 -5.756 1.00 0.00 C ATOM 378 CG ASN A 23 10.163 7.498 -5.859 1.00 0.00 C ATOM 379 OD1 ASN A 23 10.250 6.550 -6.607 1.00 0.00 O ATOM 380 ND2 ASN A 23 11.190 7.843 -5.128 1.00 0.00 N ATOM 0 H ASN A 23 9.324 6.540 -3.835 1.00 0.00 H new ATOM 0 HA ASN A 23 6.942 8.185 -4.713 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.471 8.501 -6.756 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.047 9.258 -5.284 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.060 7.314 -5.189 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.121 8.641 -4.496 1.00 0.00 H new ATOM 387 N GLU A 24 6.724 6.606 -6.920 1.00 0.00 N ATOM 388 CA GLU A 24 6.147 5.500 -7.758 1.00 0.00 C ATOM 389 C GLU A 24 7.232 4.477 -8.128 1.00 0.00 C ATOM 390 O GLU A 24 6.989 3.295 -8.105 1.00 0.00 O ATOM 391 CB GLU A 24 5.584 6.175 -9.019 1.00 0.00 C ATOM 392 CG GLU A 24 4.325 6.982 -8.664 1.00 0.00 C ATOM 393 CD GLU A 24 3.192 6.645 -9.639 1.00 0.00 C ATOM 394 OE1 GLU A 24 3.108 7.293 -10.670 1.00 0.00 O ATOM 395 OE2 GLU A 24 2.425 5.743 -9.337 1.00 0.00 O ATOM 0 H GLU A 24 6.690 7.532 -7.346 1.00 0.00 H new ATOM 0 HA GLU A 24 5.372 4.955 -7.219 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.336 6.832 -9.457 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.344 5.421 -9.769 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.016 6.758 -7.643 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.544 8.049 -8.704 1.00 0.00 H new ATOM 402 N GLU A 25 8.435 4.914 -8.439 1.00 0.00 N ATOM 403 CA GLU A 25 9.517 3.928 -8.784 1.00 0.00 C ATOM 404 C GLU A 25 9.821 3.027 -7.569 1.00 0.00 C ATOM 405 O GLU A 25 9.898 1.819 -7.693 1.00 0.00 O ATOM 406 CB GLU A 25 10.746 4.776 -9.154 1.00 0.00 C ATOM 407 CG GLU A 25 11.885 3.869 -9.639 1.00 0.00 C ATOM 408 CD GLU A 25 13.170 4.690 -9.792 1.00 0.00 C ATOM 409 OE1 GLU A 25 13.743 5.056 -8.776 1.00 0.00 O ATOM 410 OE2 GLU A 25 13.560 4.939 -10.921 1.00 0.00 O ATOM 0 H GLU A 25 8.712 5.895 -8.469 1.00 0.00 H new ATOM 0 HA GLU A 25 9.225 3.271 -9.603 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.483 5.491 -9.933 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.073 5.353 -8.289 1.00 0.00 H new ATOM 0 HG2 GLU A 25 12.043 3.057 -8.929 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.618 3.412 -10.592 1.00 0.00 H new ATOM 417 N GLN A 26 9.977 3.617 -6.398 1.00 0.00 N ATOM 418 CA GLN A 26 10.282 2.812 -5.162 1.00 0.00 C ATOM 419 C GLN A 26 9.039 2.080 -4.636 1.00 0.00 C ATOM 420 O GLN A 26 9.069 0.877 -4.467 1.00 0.00 O ATOM 421 CB GLN A 26 10.799 3.829 -4.123 1.00 0.00 C ATOM 422 CG GLN A 26 12.066 4.539 -4.650 1.00 0.00 C ATOM 423 CD GLN A 26 13.299 3.622 -4.560 1.00 0.00 C ATOM 424 OE1 GLN A 26 13.219 2.432 -4.799 1.00 0.00 O ATOM 425 NE2 GLN A 26 14.454 4.133 -4.226 1.00 0.00 N ATOM 0 H GLN A 26 9.906 4.623 -6.246 1.00 0.00 H new ATOM 0 HA GLN A 26 11.016 2.035 -5.374 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.024 4.565 -3.908 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.023 3.319 -3.186 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.911 4.843 -5.685 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.243 5.447 -4.074 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.531 5.130 -4.024 1.00 0.00 H new ATOM 0 HE22 GLN A 26 15.278 3.535 -4.168 1.00 0.00 H new ATOM 434 N ARG A 27 7.959 2.788 -4.376 1.00 0.00 N ATOM 435 CA ARG A 27 6.712 2.135 -3.837 1.00 0.00 C ATOM 436 C ARG A 27 6.116 1.089 -4.813 1.00 0.00 C ATOM 437 O ARG A 27 5.758 0.004 -4.398 1.00 0.00 O ATOM 438 CB ARG A 27 5.694 3.275 -3.648 1.00 0.00 C ATOM 439 CG ARG A 27 4.346 2.721 -3.177 1.00 0.00 C ATOM 440 CD ARG A 27 3.263 3.782 -3.358 1.00 0.00 C ATOM 441 NE ARG A 27 3.101 3.919 -4.842 1.00 0.00 N ATOM 442 CZ ARG A 27 3.159 5.098 -5.424 1.00 0.00 C ATOM 443 NH1 ARG A 27 4.098 5.961 -5.100 1.00 0.00 N ATOM 444 NH2 ARG A 27 2.268 5.412 -6.333 1.00 0.00 N ATOM 0 H ARG A 27 7.886 3.796 -4.514 1.00 0.00 H new ATOM 0 HA ARG A 27 6.945 1.603 -2.915 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.073 3.992 -2.920 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.564 3.813 -4.587 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.091 1.826 -3.745 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.409 2.426 -2.129 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.329 3.478 -2.885 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.557 4.728 -2.904 1.00 0.00 H new ATOM 0 HE ARG A 27 2.943 3.086 -5.409 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.791 5.719 -4.391 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.133 6.872 -5.558 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.538 4.745 -6.584 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.305 6.323 -6.790 1.00 0.00 H new ATOM 458 N ASN A 28 5.973 1.420 -6.094 1.00 0.00 N ATOM 459 CA ASN A 28 5.353 0.438 -7.068 1.00 0.00 C ATOM 460 C ASN A 28 6.275 -0.765 -7.257 1.00 0.00 C ATOM 461 O ASN A 28 5.817 -1.894 -7.245 1.00 0.00 O ATOM 462 CB ASN A 28 5.162 1.160 -8.414 1.00 0.00 C ATOM 463 CG ASN A 28 4.358 2.466 -8.276 1.00 0.00 C ATOM 464 OD1 ASN A 28 3.814 2.768 -7.236 1.00 0.00 O ATOM 465 ND2 ASN A 28 4.264 3.260 -9.306 1.00 0.00 N ATOM 0 H ASN A 28 6.255 2.313 -6.499 1.00 0.00 H new ATOM 0 HA ASN A 28 4.396 0.083 -6.685 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.138 1.382 -8.845 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.651 0.495 -9.110 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.735 4.129 -9.233 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.719 3.012 -10.184 1.00 0.00 H new ATOM 472 N ALA A 29 7.576 -0.536 -7.391 1.00 0.00 N ATOM 473 CA ALA A 29 8.536 -1.685 -7.531 1.00 0.00 C ATOM 474 C ALA A 29 8.449 -2.564 -6.289 1.00 0.00 C ATOM 475 O ALA A 29 8.505 -3.776 -6.376 1.00 0.00 O ATOM 476 CB ALA A 29 9.912 -1.060 -7.598 1.00 0.00 C ATOM 0 H ALA A 29 8.004 0.390 -7.409 1.00 0.00 H new ATOM 0 HA ALA A 29 8.319 -2.295 -8.408 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.663 -1.843 -7.701 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.966 -0.391 -8.457 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.100 -0.495 -6.685 1.00 0.00 H new ATOM 482 N PHE A 30 8.278 -1.945 -5.136 1.00 0.00 N ATOM 483 CA PHE A 30 8.140 -2.713 -3.868 1.00 0.00 C ATOM 484 C PHE A 30 6.906 -3.567 -3.922 1.00 0.00 C ATOM 485 O PHE A 30 6.960 -4.724 -3.618 1.00 0.00 O ATOM 486 CB PHE A 30 8.011 -1.669 -2.764 1.00 0.00 C ATOM 487 CG PHE A 30 9.386 -1.203 -2.341 1.00 0.00 C ATOM 488 CD1 PHE A 30 10.520 -2.005 -2.573 1.00 0.00 C ATOM 489 CD2 PHE A 30 9.526 0.018 -1.695 1.00 0.00 C ATOM 490 CE1 PHE A 30 11.761 -1.590 -2.151 1.00 0.00 C ATOM 491 CE2 PHE A 30 10.781 0.437 -1.282 1.00 0.00 C ATOM 492 CZ PHE A 30 11.898 -0.379 -1.507 1.00 0.00 C ATOM 0 H PHE A 30 8.229 -0.932 -5.029 1.00 0.00 H new ATOM 0 HA PHE A 30 8.990 -3.373 -3.697 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.422 -0.823 -3.118 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.481 -2.092 -1.910 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.414 -2.950 -3.085 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.661 0.639 -1.515 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.627 -2.212 -2.324 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.898 1.390 -0.788 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.873 -0.057 -1.173 1.00 0.00 H new ATOM 502 N ILE A 31 5.814 -3.005 -4.352 1.00 0.00 N ATOM 503 CA ILE A 31 4.561 -3.793 -4.483 1.00 0.00 C ATOM 504 C ILE A 31 4.774 -4.920 -5.517 1.00 0.00 C ATOM 505 O ILE A 31 4.180 -5.964 -5.391 1.00 0.00 O ATOM 506 CB ILE A 31 3.505 -2.763 -4.885 1.00 0.00 C ATOM 507 CG1 ILE A 31 3.324 -1.795 -3.711 1.00 0.00 C ATOM 508 CG2 ILE A 31 2.186 -3.443 -5.184 1.00 0.00 C ATOM 509 CD1 ILE A 31 2.627 -0.530 -4.170 1.00 0.00 C ATOM 0 H ILE A 31 5.736 -2.024 -4.621 1.00 0.00 H new ATOM 0 HA ILE A 31 4.248 -4.304 -3.573 1.00 0.00 H new ATOM 0 HB ILE A 31 3.827 -2.233 -5.782 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.741 -2.273 -2.924 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.295 -1.547 -3.283 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.447 -2.694 -5.468 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.319 -4.151 -6.002 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.841 -3.975 -4.297 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.506 0.146 -3.324 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.225 -0.044 -4.941 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.647 -0.781 -4.576 1.00 0.00 H new ATOM 521 N GLN A 32 5.664 -4.745 -6.494 1.00 0.00 N ATOM 522 CA GLN A 32 5.946 -5.858 -7.468 1.00 0.00 C ATOM 523 C GLN A 32 6.784 -6.948 -6.755 1.00 0.00 C ATOM 524 O GLN A 32 6.426 -8.110 -6.768 1.00 0.00 O ATOM 525 CB GLN A 32 6.725 -5.214 -8.628 1.00 0.00 C ATOM 526 CG GLN A 32 5.781 -4.315 -9.435 1.00 0.00 C ATOM 527 CD GLN A 32 6.562 -3.585 -10.531 1.00 0.00 C ATOM 528 OE1 GLN A 32 7.038 -2.488 -10.323 1.00 0.00 O ATOM 529 NE2 GLN A 32 6.714 -4.148 -11.701 1.00 0.00 N ATOM 0 H GLN A 32 6.195 -3.888 -6.649 1.00 0.00 H new ATOM 0 HA GLN A 32 5.040 -6.336 -7.840 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.560 -4.630 -8.241 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.148 -5.986 -9.270 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.987 -4.915 -9.881 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.302 -3.592 -8.775 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.315 -5.070 -11.879 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.231 -3.665 -12.436 1.00 0.00 H new ATOM 538 N SER A 33 7.864 -6.560 -6.085 1.00 0.00 N ATOM 539 CA SER A 33 8.713 -7.547 -5.306 1.00 0.00 C ATOM 540 C SER A 33 7.929 -8.117 -4.102 1.00 0.00 C ATOM 541 O SER A 33 8.162 -9.230 -3.670 1.00 0.00 O ATOM 542 CB SER A 33 9.948 -6.755 -4.830 1.00 0.00 C ATOM 543 OG SER A 33 9.565 -5.474 -4.335 1.00 0.00 O ATOM 0 H SER A 33 8.194 -5.596 -6.045 1.00 0.00 H new ATOM 0 HA SER A 33 8.998 -8.400 -5.922 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.465 -7.313 -4.049 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.650 -6.636 -5.655 1.00 0.00 H new ATOM 0 HG SER A 33 8.626 -5.499 -4.056 1.00 0.00 H new ATOM 549 N LEU A 34 7.014 -7.340 -3.568 1.00 0.00 N ATOM 550 CA LEU A 34 6.184 -7.755 -2.390 1.00 0.00 C ATOM 551 C LEU A 34 5.018 -8.669 -2.826 1.00 0.00 C ATOM 552 O LEU A 34 4.768 -9.684 -2.199 1.00 0.00 O ATOM 553 CB LEU A 34 5.690 -6.403 -1.836 1.00 0.00 C ATOM 554 CG LEU A 34 4.968 -6.549 -0.504 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.971 -6.800 0.597 1.00 0.00 C ATOM 556 CD2 LEU A 34 4.244 -5.249 -0.194 1.00 0.00 C ATOM 0 H LEU A 34 6.802 -6.404 -3.913 1.00 0.00 H new ATOM 0 HA LEU A 34 6.729 -8.341 -1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.540 -5.732 -1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.020 -5.940 -2.560 1.00 0.00 H new ATOM 0 HG LEU A 34 4.266 -7.381 -0.565 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.449 -6.904 1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.523 -7.715 0.384 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.666 -5.962 0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.722 -5.341 0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.967 -4.435 -0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.523 -5.037 -0.983 1.00 0.00 H new ATOM 568 N LYS A 35 4.306 -8.315 -3.895 1.00 0.00 N ATOM 569 CA LYS A 35 3.151 -9.164 -4.378 1.00 0.00 C ATOM 570 C LYS A 35 3.665 -10.524 -4.890 1.00 0.00 C ATOM 571 O LYS A 35 2.971 -11.521 -4.790 1.00 0.00 O ATOM 572 CB LYS A 35 2.429 -8.349 -5.489 1.00 0.00 C ATOM 573 CG LYS A 35 1.290 -7.525 -4.894 1.00 0.00 C ATOM 574 CD LYS A 35 0.036 -7.688 -5.757 1.00 0.00 C ATOM 575 CE LYS A 35 -1.207 -7.693 -4.854 1.00 0.00 C ATOM 576 NZ LYS A 35 -1.681 -9.111 -4.828 1.00 0.00 N ATOM 0 H LYS A 35 4.479 -7.476 -4.448 1.00 0.00 H new ATOM 0 HA LYS A 35 2.451 -9.388 -3.573 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.141 -7.690 -5.986 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.038 -9.026 -6.248 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.087 -7.850 -3.874 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.575 -6.474 -4.843 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.029 -6.875 -6.480 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.090 -8.617 -6.325 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.964 -7.343 -3.851 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.978 -7.029 -5.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.430 -9.214 -4.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.057 -9.369 -5.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.887 -9.738 -4.589 1.00 0.00 H new ATOM 590 N ASP A 36 4.884 -10.575 -5.406 1.00 0.00 N ATOM 591 CA ASP A 36 5.459 -11.875 -5.894 1.00 0.00 C ATOM 592 C ASP A 36 6.252 -12.605 -4.781 1.00 0.00 C ATOM 593 O ASP A 36 6.302 -13.824 -4.775 1.00 0.00 O ATOM 594 CB ASP A 36 6.384 -11.503 -7.064 1.00 0.00 C ATOM 595 CG ASP A 36 5.544 -11.186 -8.311 1.00 0.00 C ATOM 596 OD1 ASP A 36 5.039 -12.121 -8.913 1.00 0.00 O ATOM 597 OD2 ASP A 36 5.425 -10.020 -8.646 1.00 0.00 O ATOM 0 H ASP A 36 5.501 -9.769 -5.508 1.00 0.00 H new ATOM 0 HA ASP A 36 4.669 -12.562 -6.199 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.995 -10.641 -6.797 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.068 -12.325 -7.274 1.00 0.00 H new ATOM 602 N ASP A 37 6.875 -11.885 -3.851 1.00 0.00 N ATOM 603 CA ASP A 37 7.665 -12.565 -2.760 1.00 0.00 C ATOM 604 C ASP A 37 7.119 -12.216 -1.355 1.00 0.00 C ATOM 605 O ASP A 37 7.380 -11.137 -0.844 1.00 0.00 O ATOM 606 CB ASP A 37 9.114 -12.069 -2.915 1.00 0.00 C ATOM 607 CG ASP A 37 10.082 -13.141 -2.394 1.00 0.00 C ATOM 608 OD1 ASP A 37 10.057 -13.417 -1.202 1.00 0.00 O ATOM 609 OD2 ASP A 37 10.834 -13.669 -3.196 1.00 0.00 O ATOM 0 H ASP A 37 6.867 -10.866 -3.806 1.00 0.00 H new ATOM 0 HA ASP A 37 7.595 -13.649 -2.852 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.325 -11.852 -3.962 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.252 -11.140 -2.362 1.00 0.00 H new ATOM 614 N PRO A 38 6.391 -13.158 -0.766 1.00 0.00 N ATOM 615 CA PRO A 38 5.824 -12.963 0.607 1.00 0.00 C ATOM 616 C PRO A 38 6.931 -12.957 1.689 1.00 0.00 C ATOM 617 O PRO A 38 6.857 -12.204 2.645 1.00 0.00 O ATOM 618 CB PRO A 38 4.910 -14.178 0.786 1.00 0.00 C ATOM 619 CG PRO A 38 5.472 -15.214 -0.125 1.00 0.00 C ATOM 620 CD PRO A 38 6.016 -14.477 -1.311 1.00 0.00 C ATOM 0 HA PRO A 38 5.309 -12.008 0.711 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.906 -14.521 1.821 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.879 -13.939 0.525 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.256 -15.785 0.372 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.703 -15.925 -0.428 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.876 -14.991 -1.741 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.271 -14.386 -2.101 1.00 0.00 H new ATOM 628 N SER A 39 7.941 -13.803 1.549 1.00 0.00 N ATOM 629 CA SER A 39 9.049 -13.868 2.569 1.00 0.00 C ATOM 630 C SER A 39 9.883 -12.573 2.592 1.00 0.00 C ATOM 631 O SER A 39 10.314 -12.140 3.647 1.00 0.00 O ATOM 632 CB SER A 39 9.920 -15.061 2.157 1.00 0.00 C ATOM 633 OG SER A 39 10.840 -15.356 3.201 1.00 0.00 O ATOM 0 H SER A 39 8.042 -14.452 0.768 1.00 0.00 H new ATOM 0 HA SER A 39 8.644 -13.982 3.575 1.00 0.00 H new ATOM 0 HB2 SER A 39 9.294 -15.929 1.953 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.458 -14.832 1.237 1.00 0.00 H new ATOM 0 HG SER A 39 10.458 -15.083 4.061 1.00 0.00 H new ATOM 639 N GLN A 40 10.106 -11.950 1.447 1.00 0.00 N ATOM 640 CA GLN A 40 10.911 -10.678 1.417 1.00 0.00 C ATOM 641 C GLN A 40 10.057 -9.453 1.782 1.00 0.00 C ATOM 642 O GLN A 40 10.568 -8.358 1.790 1.00 0.00 O ATOM 643 CB GLN A 40 11.412 -10.533 -0.031 1.00 0.00 C ATOM 644 CG GLN A 40 12.827 -9.949 -0.029 1.00 0.00 C ATOM 645 CD GLN A 40 13.087 -9.207 -1.344 1.00 0.00 C ATOM 646 OE1 GLN A 40 13.158 -9.813 -2.394 1.00 0.00 O ATOM 647 NE2 GLN A 40 13.232 -7.907 -1.332 1.00 0.00 N ATOM 0 H GLN A 40 9.766 -12.267 0.539 1.00 0.00 H new ATOM 0 HA GLN A 40 11.723 -10.727 2.143 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.409 -11.504 -0.526 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.741 -9.885 -0.595 1.00 0.00 H new ATOM 0 HG2 GLN A 40 12.947 -9.267 0.813 1.00 0.00 H new ATOM 0 HG3 GLN A 40 13.559 -10.747 0.099 1.00 0.00 H new ATOM 0 HE21 GLN A 40 13.173 -7.395 -0.452 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.404 -7.405 -2.203 1.00 0.00 H new ATOM 656 N SER A 41 8.766 -9.611 2.048 1.00 0.00 N ATOM 657 CA SER A 41 7.895 -8.421 2.358 1.00 0.00 C ATOM 658 C SER A 41 8.420 -7.587 3.535 1.00 0.00 C ATOM 659 O SER A 41 8.478 -6.379 3.424 1.00 0.00 O ATOM 660 CB SER A 41 6.504 -8.986 2.668 1.00 0.00 C ATOM 661 OG SER A 41 6.051 -9.749 1.555 1.00 0.00 O ATOM 0 H SER A 41 8.285 -10.510 2.062 1.00 0.00 H new ATOM 0 HA SER A 41 7.881 -7.737 1.509 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.542 -9.610 3.561 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.807 -8.175 2.876 1.00 0.00 H new ATOM 0 HG SER A 41 6.738 -9.748 0.856 1.00 0.00 H new ATOM 667 N ALA A 42 8.822 -8.192 4.641 1.00 0.00 N ATOM 668 CA ALA A 42 9.373 -7.359 5.771 1.00 0.00 C ATOM 669 C ALA A 42 10.621 -6.621 5.288 1.00 0.00 C ATOM 670 O ALA A 42 10.747 -5.430 5.480 1.00 0.00 O ATOM 671 CB ALA A 42 9.779 -8.322 6.853 1.00 0.00 C ATOM 0 H ALA A 42 8.794 -9.198 4.807 1.00 0.00 H new ATOM 0 HA ALA A 42 8.638 -6.636 6.124 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.187 -7.768 7.699 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.909 -8.892 7.178 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.536 -9.004 6.467 1.00 0.00 H new ATOM 677 N ASN A 43 11.522 -7.331 4.616 1.00 0.00 N ATOM 678 CA ASN A 43 12.751 -6.686 4.048 1.00 0.00 C ATOM 679 C ASN A 43 12.323 -5.593 3.086 1.00 0.00 C ATOM 680 O ASN A 43 12.924 -4.557 3.044 1.00 0.00 O ATOM 681 CB ASN A 43 13.475 -7.756 3.242 1.00 0.00 C ATOM 682 CG ASN A 43 14.724 -8.237 3.992 1.00 0.00 C ATOM 683 OD1 ASN A 43 15.803 -8.266 3.433 1.00 0.00 O ATOM 684 ND2 ASN A 43 14.629 -8.624 5.237 1.00 0.00 N ATOM 0 H ASN A 43 11.448 -8.333 4.442 1.00 0.00 H new ATOM 0 HA ASN A 43 13.380 -6.272 4.836 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.806 -8.597 3.059 1.00 0.00 H new ATOM 0 HB3 ASN A 43 13.759 -7.357 2.268 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.458 -8.948 5.735 1.00 0.00 H new ATOM 0 HD22 ASN A 43 13.726 -8.602 5.711 1.00 0.00 H new ATOM 691 N LEU A 44 11.270 -5.841 2.329 1.00 0.00 N ATOM 692 CA LEU A 44 10.749 -4.829 1.364 1.00 0.00 C ATOM 693 C LEU A 44 10.269 -3.628 2.100 1.00 0.00 C ATOM 694 O LEU A 44 10.558 -2.516 1.704 1.00 0.00 O ATOM 695 CB LEU A 44 9.621 -5.495 0.616 1.00 0.00 C ATOM 696 CG LEU A 44 10.248 -6.386 -0.419 1.00 0.00 C ATOM 697 CD1 LEU A 44 9.156 -7.207 -1.077 1.00 0.00 C ATOM 698 CD2 LEU A 44 10.991 -5.493 -1.418 1.00 0.00 C ATOM 0 H LEU A 44 10.748 -6.717 2.346 1.00 0.00 H new ATOM 0 HA LEU A 44 11.522 -4.494 0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.996 -6.074 1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.977 -4.751 0.146 1.00 0.00 H new ATOM 0 HG LEU A 44 10.964 -7.082 0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.596 -7.859 -1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.652 -7.812 -0.324 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.435 -6.541 -1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.458 -6.113 -2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.286 -4.807 -1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.759 -4.923 -0.895 1.00 0.00 H new ATOM 710 N LEU A 45 9.600 -3.829 3.206 1.00 0.00 N ATOM 711 CA LEU A 45 9.212 -2.650 3.986 1.00 0.00 C ATOM 712 C LEU A 45 10.501 -2.040 4.527 1.00 0.00 C ATOM 713 O LEU A 45 10.719 -0.892 4.341 1.00 0.00 O ATOM 714 CB LEU A 45 8.297 -3.125 5.098 1.00 0.00 C ATOM 715 CG LEU A 45 8.137 -2.025 6.156 1.00 0.00 C ATOM 716 CD1 LEU A 45 7.840 -0.678 5.478 1.00 0.00 C ATOM 717 CD2 LEU A 45 6.988 -2.406 7.086 1.00 0.00 C ATOM 0 H LEU A 45 9.319 -4.734 3.582 1.00 0.00 H new ATOM 0 HA LEU A 45 8.681 -1.898 3.403 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.322 -3.391 4.689 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.707 -4.025 5.557 1.00 0.00 H new ATOM 0 HG LEU A 45 9.060 -1.926 6.728 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.728 0.095 6.238 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.663 -0.416 4.812 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.918 -0.756 4.902 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.862 -1.633 7.844 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.069 -2.501 6.508 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.212 -3.356 7.571 1.00 0.00 H new ATOM 729 N ALA A 46 11.370 -2.817 5.144 1.00 0.00 N ATOM 730 CA ALA A 46 12.675 -2.255 5.659 1.00 0.00 C ATOM 731 C ALA A 46 13.425 -1.487 4.572 1.00 0.00 C ATOM 732 O ALA A 46 13.896 -0.408 4.823 1.00 0.00 O ATOM 733 CB ALA A 46 13.525 -3.461 6.022 1.00 0.00 C ATOM 0 H ALA A 46 11.235 -3.814 5.314 1.00 0.00 H new ATOM 0 HA ALA A 46 12.484 -1.577 6.491 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.489 -3.125 6.404 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.016 -4.048 6.787 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.680 -4.077 5.136 1.00 0.00 H new ATOM 739 N GLU A 47 13.531 -2.026 3.369 1.00 0.00 N ATOM 740 CA GLU A 47 14.236 -1.282 2.281 1.00 0.00 C ATOM 741 C GLU A 47 13.386 -0.066 1.916 1.00 0.00 C ATOM 742 O GLU A 47 13.921 0.997 1.692 1.00 0.00 O ATOM 743 CB GLU A 47 14.500 -2.249 1.109 1.00 0.00 C ATOM 744 CG GLU A 47 13.249 -2.889 0.570 1.00 0.00 C ATOM 745 CD GLU A 47 13.655 -4.088 -0.300 1.00 0.00 C ATOM 746 OE1 GLU A 47 13.773 -5.177 0.243 1.00 0.00 O ATOM 747 OE2 GLU A 47 13.861 -3.902 -1.486 1.00 0.00 O ATOM 0 H GLU A 47 13.161 -2.939 3.104 1.00 0.00 H new ATOM 0 HA GLU A 47 15.212 -0.907 2.590 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.997 -1.707 0.305 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.186 -3.030 1.439 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.606 -3.214 1.388 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.678 -2.170 -0.017 1.00 0.00 H new ATOM 754 N ALA A 48 12.063 -0.184 1.936 1.00 0.00 N ATOM 755 CA ALA A 48 11.209 1.010 1.701 1.00 0.00 C ATOM 756 C ALA A 48 11.396 2.016 2.869 1.00 0.00 C ATOM 757 O ALA A 48 11.482 3.209 2.652 1.00 0.00 O ATOM 758 CB ALA A 48 9.799 0.444 1.687 1.00 0.00 C ATOM 0 H ALA A 48 11.558 -1.054 2.105 1.00 0.00 H new ATOM 0 HA ALA A 48 11.446 1.548 0.783 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.085 1.250 1.519 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.710 -0.292 0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.589 -0.033 2.644 1.00 0.00 H new ATOM 764 N LYS A 49 11.521 1.514 4.095 1.00 0.00 N ATOM 765 CA LYS A 49 11.776 2.367 5.304 1.00 0.00 C ATOM 766 C LYS A 49 13.163 2.994 5.137 1.00 0.00 C ATOM 767 O LYS A 49 13.381 4.164 5.382 1.00 0.00 O ATOM 768 CB LYS A 49 11.782 1.366 6.484 1.00 0.00 C ATOM 769 CG LYS A 49 10.385 0.781 6.736 1.00 0.00 C ATOM 770 CD LYS A 49 9.390 1.880 7.059 1.00 0.00 C ATOM 771 CE LYS A 49 9.642 2.374 8.477 1.00 0.00 C ATOM 772 NZ LYS A 49 8.389 3.082 8.889 1.00 0.00 N ATOM 0 H LYS A 49 11.453 0.517 4.301 1.00 0.00 H new ATOM 0 HA LYS A 49 11.046 3.162 5.454 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.483 0.558 6.273 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.135 1.867 7.385 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.052 0.230 5.856 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.427 0.069 7.560 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.493 2.702 6.350 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.371 1.505 6.966 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.861 1.543 9.148 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.500 3.045 8.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.498 3.446 9.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.208 3.874 8.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.589 2.419 8.857 1.00 0.00 H new ATOM 786 N LYS A 50 14.077 2.176 4.656 1.00 0.00 N ATOM 787 CA LYS A 50 15.478 2.589 4.361 1.00 0.00 C ATOM 788 C LYS A 50 15.453 3.674 3.271 1.00 0.00 C ATOM 789 O LYS A 50 16.185 4.645 3.335 1.00 0.00 O ATOM 790 CB LYS A 50 16.123 1.266 3.879 1.00 0.00 C ATOM 791 CG LYS A 50 17.319 1.477 2.942 1.00 0.00 C ATOM 792 CD LYS A 50 17.395 0.283 1.970 1.00 0.00 C ATOM 793 CE LYS A 50 17.877 -0.971 2.719 1.00 0.00 C ATOM 794 NZ LYS A 50 18.127 -1.996 1.660 1.00 0.00 N ATOM 0 H LYS A 50 13.890 1.195 4.450 1.00 0.00 H new ATOM 0 HA LYS A 50 16.027 3.022 5.197 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.448 0.692 4.747 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.369 0.669 3.365 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.207 2.409 2.389 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.241 1.557 3.517 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.416 0.099 1.528 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.076 0.512 1.151 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.784 -0.765 3.287 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.127 -1.316 3.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.458 -2.877 2.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.246 -2.180 1.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 18.851 -1.645 1.001 1.00 0.00 H new ATOM 808 N LEU A 51 14.581 3.513 2.291 1.00 0.00 N ATOM 809 CA LEU A 51 14.448 4.523 1.196 1.00 0.00 C ATOM 810 C LEU A 51 13.792 5.792 1.728 1.00 0.00 C ATOM 811 O LEU A 51 14.129 6.880 1.315 1.00 0.00 O ATOM 812 CB LEU A 51 13.536 3.871 0.150 1.00 0.00 C ATOM 813 CG LEU A 51 14.338 3.285 -1.014 1.00 0.00 C ATOM 814 CD1 LEU A 51 15.700 2.759 -0.556 1.00 0.00 C ATOM 815 CD2 LEU A 51 13.550 2.128 -1.605 1.00 0.00 C ATOM 0 H LEU A 51 13.953 2.714 2.209 1.00 0.00 H new ATOM 0 HA LEU A 51 15.418 4.801 0.783 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.948 3.083 0.620 1.00 0.00 H new ATOM 0 HB3 LEU A 51 12.831 4.611 -0.230 1.00 0.00 H new ATOM 0 HG LEU A 51 14.505 4.074 -1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.239 2.351 -1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.277 3.574 -0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 51 15.556 1.976 0.189 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.106 1.697 -2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.392 1.367 -0.841 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.585 2.489 -1.962 1.00 0.00 H new ATOM 827 N ASN A 52 12.857 5.650 2.639 1.00 0.00 N ATOM 828 CA ASN A 52 12.161 6.833 3.221 1.00 0.00 C ATOM 829 C ASN A 52 13.180 7.774 3.886 1.00 0.00 C ATOM 830 O ASN A 52 13.113 8.975 3.720 1.00 0.00 O ATOM 831 CB ASN A 52 11.192 6.255 4.255 1.00 0.00 C ATOM 832 CG ASN A 52 10.250 7.353 4.739 1.00 0.00 C ATOM 833 OD1 ASN A 52 9.381 7.785 4.011 1.00 0.00 O ATOM 834 ND2 ASN A 52 10.391 7.831 5.942 1.00 0.00 N ATOM 0 H ASN A 52 12.546 4.751 3.006 1.00 0.00 H new ATOM 0 HA ASN A 52 11.639 7.421 2.466 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.620 5.438 3.816 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.747 5.840 5.097 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.770 8.570 6.273 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.122 7.467 6.553 1.00 0.00 H new ATOM 841 N ASP A 53 14.130 7.225 4.619 1.00 0.00 N ATOM 842 CA ASP A 53 15.181 8.076 5.287 1.00 0.00 C ATOM 843 C ASP A 53 16.273 8.489 4.281 1.00 0.00 C ATOM 844 O ASP A 53 16.751 9.609 4.313 1.00 0.00 O ATOM 845 CB ASP A 53 15.781 7.207 6.403 1.00 0.00 C ATOM 846 CG ASP A 53 14.696 6.795 7.414 1.00 0.00 C ATOM 847 OD1 ASP A 53 14.035 7.674 7.952 1.00 0.00 O ATOM 848 OD2 ASP A 53 14.544 5.605 7.635 1.00 0.00 O ATOM 0 H ASP A 53 14.223 6.223 4.784 1.00 0.00 H new ATOM 0 HA ASP A 53 14.751 8.997 5.682 1.00 0.00 H new ATOM 0 HB2 ASP A 53 16.240 6.317 5.971 1.00 0.00 H new ATOM 0 HB3 ASP A 53 16.571 7.757 6.914 1.00 0.00 H new ATOM 853 N ALA A 54 16.667 7.590 3.393 1.00 0.00 N ATOM 854 CA ALA A 54 17.727 7.921 2.371 1.00 0.00 C ATOM 855 C ALA A 54 17.200 8.968 1.375 1.00 0.00 C ATOM 856 O ALA A 54 17.885 9.924 1.054 1.00 0.00 O ATOM 857 CB ALA A 54 18.030 6.599 1.657 1.00 0.00 C ATOM 0 H ALA A 54 16.298 6.641 3.334 1.00 0.00 H new ATOM 0 HA ALA A 54 18.620 8.344 2.831 1.00 0.00 H new ATOM 0 HB1 ALA A 54 18.795 6.763 0.897 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.389 5.868 2.382 1.00 0.00 H new ATOM 0 HB3 ALA A 54 17.122 6.225 1.183 1.00 0.00 H new ATOM 863 N GLN A 55 15.974 8.802 0.912 1.00 0.00 N ATOM 864 CA GLN A 55 15.359 9.788 -0.041 1.00 0.00 C ATOM 865 C GLN A 55 14.726 10.977 0.727 1.00 0.00 C ATOM 866 O GLN A 55 14.219 11.903 0.114 1.00 0.00 O ATOM 867 CB GLN A 55 14.265 9.021 -0.794 1.00 0.00 C ATOM 868 CG GLN A 55 14.873 7.852 -1.590 1.00 0.00 C ATOM 869 CD GLN A 55 13.767 7.164 -2.386 1.00 0.00 C ATOM 870 OE1 GLN A 55 13.835 7.079 -3.594 1.00 0.00 O ATOM 871 NE2 GLN A 55 12.736 6.676 -1.751 1.00 0.00 N ATOM 0 H GLN A 55 15.371 8.017 1.158 1.00 0.00 H new ATOM 0 HA GLN A 55 16.111 10.199 -0.715 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.527 8.642 -0.087 1.00 0.00 H new ATOM 0 HB3 GLN A 55 13.741 9.695 -1.471 1.00 0.00 H new ATOM 0 HG2 GLN A 55 15.649 8.218 -2.262 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.347 7.142 -0.913 1.00 0.00 H new ATOM 0 HE21 GLN A 55 12.681 6.749 -0.735 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.985 6.222 -2.271 1.00 0.00 H new ATOM 880 N ALA A 56 14.741 10.954 2.058 1.00 0.00 N ATOM 881 CA ALA A 56 14.135 12.073 2.861 1.00 0.00 C ATOM 882 C ALA A 56 14.907 13.381 2.679 1.00 0.00 C ATOM 883 O ALA A 56 16.094 13.371 2.389 1.00 0.00 O ATOM 884 CB ALA A 56 14.220 11.648 4.331 1.00 0.00 C ATOM 0 H ALA A 56 15.150 10.203 2.615 1.00 0.00 H new ATOM 0 HA ALA A 56 13.110 12.250 2.535 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.792 12.428 4.961 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.665 10.721 4.474 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.263 11.493 4.605 1.00 0.00 H new ATOM 890 N PRO A 57 14.196 14.475 2.876 1.00 0.00 N ATOM 891 CA PRO A 57 14.814 15.819 2.753 1.00 0.00 C ATOM 892 C PRO A 57 15.817 16.091 3.900 1.00 0.00 C ATOM 893 O PRO A 57 16.785 16.809 3.713 1.00 0.00 O ATOM 894 CB PRO A 57 13.619 16.769 2.811 1.00 0.00 C ATOM 895 CG PRO A 57 12.561 16.016 3.550 1.00 0.00 C ATOM 896 CD PRO A 57 12.765 14.563 3.228 1.00 0.00 C ATOM 0 HA PRO A 57 15.398 15.933 1.839 1.00 0.00 H new ATOM 0 HB2 PRO A 57 13.876 17.695 3.325 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.283 17.042 1.811 1.00 0.00 H new ATOM 0 HG2 PRO A 57 12.640 16.190 4.623 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.567 16.345 3.246 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.523 13.927 4.080 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.130 14.244 2.402 1.00 0.00 H new ATOM 904 N LYS A 58 15.597 15.516 5.072 1.00 0.00 N ATOM 905 CA LYS A 58 16.534 15.728 6.223 1.00 0.00 C ATOM 906 C LYS A 58 17.217 14.400 6.611 1.00 0.00 C ATOM 907 O LYS A 58 18.419 14.421 6.808 1.00 0.00 O ATOM 908 CB LYS A 58 15.651 16.256 7.370 1.00 0.00 C ATOM 909 CG LYS A 58 16.527 16.651 8.565 1.00 0.00 C ATOM 910 CD LYS A 58 17.196 18.001 8.280 1.00 0.00 C ATOM 911 CE LYS A 58 18.667 17.960 8.729 1.00 0.00 C ATOM 912 NZ LYS A 58 19.421 17.339 7.594 1.00 0.00 N ATOM 913 OXT LYS A 58 16.528 13.392 6.703 1.00 0.00 O ATOM 0 H LYS A 58 14.803 14.908 5.274 1.00 0.00 H new ATOM 0 HA LYS A 58 17.335 16.427 5.981 1.00 0.00 H new ATOM 0 HB2 LYS A 58 15.075 17.117 7.030 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.935 15.491 7.670 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.921 16.716 9.469 1.00 0.00 H new ATOM 0 HG3 LYS A 58 17.284 15.888 8.743 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.138 18.228 7.216 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.668 18.797 8.805 1.00 0.00 H new ATOM 0 HE2 LYS A 58 19.039 18.962 8.944 1.00 0.00 H new ATOM 0 HE3 LYS A 58 18.781 17.375 9.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 20.422 17.236 7.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 19.020 16.403 7.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 19.345 17.946 6.753 1.00 0.00 H new TER 927 LYS A 58 ATOM 928 N VAL B 1 0.104 -15.889 -18.279 1.00 0.00 N ATOM 929 CA VAL B 1 0.085 -14.500 -17.693 1.00 0.00 C ATOM 930 C VAL B 1 0.132 -14.559 -16.155 1.00 0.00 C ATOM 931 O VAL B 1 -0.376 -15.488 -15.546 1.00 0.00 O ATOM 932 CB VAL B 1 -1.222 -13.805 -18.167 1.00 0.00 C ATOM 933 CG1 VAL B 1 -1.130 -13.475 -19.663 1.00 0.00 C ATOM 934 CG2 VAL B 1 -2.452 -14.697 -17.919 1.00 0.00 C ATOM 0 H1 VAL B 1 -0.164 -15.846 -19.283 1.00 0.00 H new ATOM 0 H2 VAL B 1 1.060 -16.289 -18.193 1.00 0.00 H new ATOM 0 H3 VAL B 1 -0.571 -16.491 -17.766 1.00 0.00 H new ATOM 0 HA VAL B 1 0.958 -13.939 -18.027 1.00 0.00 H new ATOM 0 HB VAL B 1 -1.337 -12.887 -17.591 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -2.050 -12.988 -19.986 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -0.286 -12.807 -19.837 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -0.988 -14.395 -20.230 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -3.350 -14.182 -18.261 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -2.339 -15.633 -18.467 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -2.539 -14.908 -16.853 1.00 0.00 H new ATOM 946 N ASP B 2 0.735 -13.568 -15.532 1.00 0.00 N ATOM 947 CA ASP B 2 0.825 -13.542 -14.028 1.00 0.00 C ATOM 948 C ASP B 2 -0.516 -13.110 -13.414 1.00 0.00 C ATOM 949 O ASP B 2 -1.158 -12.190 -13.898 1.00 0.00 O ATOM 950 CB ASP B 2 1.915 -12.514 -13.685 1.00 0.00 C ATOM 951 CG ASP B 2 3.290 -13.028 -14.126 1.00 0.00 C ATOM 952 OD1 ASP B 2 3.861 -13.829 -13.405 1.00 0.00 O ATOM 953 OD2 ASP B 2 3.749 -12.608 -15.177 1.00 0.00 O ATOM 0 H ASP B 2 1.170 -12.773 -16.000 1.00 0.00 H new ATOM 0 HA ASP B 2 1.061 -14.529 -13.631 1.00 0.00 H new ATOM 0 HB2 ASP B 2 1.698 -11.566 -14.178 1.00 0.00 H new ATOM 0 HB3 ASP B 2 1.918 -12.322 -12.612 1.00 0.00 H new ATOM 958 N ASN B 3 -0.928 -13.755 -12.340 1.00 0.00 N ATOM 959 CA ASN B 3 -2.216 -13.378 -11.668 1.00 0.00 C ATOM 960 C ASN B 3 -1.914 -12.417 -10.498 1.00 0.00 C ATOM 961 O ASN B 3 -2.155 -12.720 -9.339 1.00 0.00 O ATOM 962 CB ASN B 3 -2.818 -14.708 -11.180 1.00 0.00 C ATOM 963 CG ASN B 3 -4.304 -14.515 -10.846 1.00 0.00 C ATOM 964 OD1 ASN B 3 -5.117 -14.340 -11.730 1.00 0.00 O ATOM 965 ND2 ASN B 3 -4.695 -14.540 -9.599 1.00 0.00 N ATOM 0 H ASN B 3 -0.425 -14.527 -11.902 1.00 0.00 H new ATOM 0 HA ASN B 3 -2.913 -12.860 -12.327 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -2.705 -15.473 -11.949 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -2.281 -15.060 -10.299 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -5.681 -14.413 -9.371 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -4.014 -14.687 -8.854 1.00 0.00 H new ATOM 972 N LYS B 4 -1.369 -11.257 -10.813 1.00 0.00 N ATOM 973 CA LYS B 4 -1.020 -10.246 -9.759 1.00 0.00 C ATOM 974 C LYS B 4 -1.348 -8.822 -10.239 1.00 0.00 C ATOM 975 O LYS B 4 -1.151 -8.489 -11.398 1.00 0.00 O ATOM 976 CB LYS B 4 0.493 -10.425 -9.505 1.00 0.00 C ATOM 977 CG LYS B 4 1.303 -10.155 -10.785 1.00 0.00 C ATOM 978 CD LYS B 4 2.767 -10.535 -10.556 1.00 0.00 C ATOM 979 CE LYS B 4 3.607 -10.129 -11.776 1.00 0.00 C ATOM 980 NZ LYS B 4 4.752 -11.089 -11.817 1.00 0.00 N ATOM 0 H LYS B 4 -1.150 -10.968 -11.766 1.00 0.00 H new ATOM 0 HA LYS B 4 -1.595 -10.393 -8.845 1.00 0.00 H new ATOM 0 HB2 LYS B 4 0.816 -9.746 -8.716 1.00 0.00 H new ATOM 0 HB3 LYS B 4 0.689 -11.438 -9.153 1.00 0.00 H new ATOM 0 HG2 LYS B 4 0.893 -10.730 -11.615 1.00 0.00 H new ATOM 0 HG3 LYS B 4 1.229 -9.103 -11.059 1.00 0.00 H new ATOM 0 HD2 LYS B 4 3.145 -10.040 -9.662 1.00 0.00 H new ATOM 0 HD3 LYS B 4 2.851 -11.608 -10.386 1.00 0.00 H new ATOM 0 HE2 LYS B 4 3.018 -10.182 -12.692 1.00 0.00 H new ATOM 0 HE3 LYS B 4 3.960 -9.102 -11.684 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 5.307 -10.931 -12.683 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 5.359 -10.941 -10.985 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 4.388 -12.063 -11.812 1.00 0.00 H new ATOM 994 N PHE B 5 -1.849 -7.989 -9.353 1.00 0.00 N ATOM 995 CA PHE B 5 -2.202 -6.583 -9.727 1.00 0.00 C ATOM 996 C PHE B 5 -1.307 -5.581 -8.965 1.00 0.00 C ATOM 997 O PHE B 5 -1.786 -4.594 -8.431 1.00 0.00 O ATOM 998 CB PHE B 5 -3.674 -6.444 -9.326 1.00 0.00 C ATOM 999 CG PHE B 5 -4.567 -6.734 -10.510 1.00 0.00 C ATOM 1000 CD1 PHE B 5 -4.991 -8.046 -10.764 1.00 0.00 C ATOM 1001 CD2 PHE B 5 -4.976 -5.691 -11.350 1.00 0.00 C ATOM 1002 CE1 PHE B 5 -5.821 -8.313 -11.857 1.00 0.00 C ATOM 1003 CE2 PHE B 5 -5.808 -5.960 -12.444 1.00 0.00 C ATOM 1004 CZ PHE B 5 -6.229 -7.270 -12.697 1.00 0.00 C ATOM 0 H PHE B 5 -2.029 -8.228 -8.378 1.00 0.00 H new ATOM 0 HA PHE B 5 -2.049 -6.373 -10.785 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -3.903 -7.131 -8.512 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -3.864 -5.437 -8.956 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -4.677 -8.850 -10.115 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -4.650 -4.680 -11.154 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -6.147 -9.324 -12.053 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -6.125 -5.156 -13.092 1.00 0.00 H new ATOM 0 HZ PHE B 5 -6.870 -7.477 -13.541 1.00 0.00 H new ATOM 1014 N ASN B 6 -0.005 -5.826 -8.928 1.00 0.00 N ATOM 1015 CA ASN B 6 0.942 -4.880 -8.216 1.00 0.00 C ATOM 1016 C ASN B 6 0.852 -3.461 -8.813 1.00 0.00 C ATOM 1017 O ASN B 6 0.942 -2.478 -8.098 1.00 0.00 O ATOM 1018 CB ASN B 6 2.369 -5.464 -8.357 1.00 0.00 C ATOM 1019 CG ASN B 6 2.698 -5.829 -9.817 1.00 0.00 C ATOM 1020 OD1 ASN B 6 2.869 -4.965 -10.653 1.00 0.00 O ATOM 1021 ND2 ASN B 6 2.801 -7.086 -10.158 1.00 0.00 N ATOM 0 H ASN B 6 0.442 -6.636 -9.358 1.00 0.00 H new ATOM 0 HA ASN B 6 0.677 -4.790 -7.163 1.00 0.00 H new ATOM 0 HB2 ASN B 6 3.096 -4.739 -7.991 1.00 0.00 H new ATOM 0 HB3 ASN B 6 2.462 -6.352 -7.731 1.00 0.00 H new ATOM 0 HD21 ASN B 6 3.024 -7.336 -11.121 1.00 0.00 H new ATOM 0 HD22 ASN B 6 2.659 -7.817 -9.461 1.00 0.00 H new ATOM 1028 N LYS B 7 0.633 -3.363 -10.108 1.00 0.00 N ATOM 1029 CA LYS B 7 0.484 -2.022 -10.777 1.00 0.00 C ATOM 1030 C LYS B 7 -0.732 -1.287 -10.210 1.00 0.00 C ATOM 1031 O LYS B 7 -0.705 -0.085 -10.015 1.00 0.00 O ATOM 1032 CB LYS B 7 0.277 -2.322 -12.269 1.00 0.00 C ATOM 1033 CG LYS B 7 0.125 -1.013 -13.057 1.00 0.00 C ATOM 1034 CD LYS B 7 -1.265 -0.962 -13.708 1.00 0.00 C ATOM 1035 CE LYS B 7 -1.791 0.484 -13.716 1.00 0.00 C ATOM 1036 NZ LYS B 7 -2.520 0.659 -12.419 1.00 0.00 N ATOM 0 H LYS B 7 0.550 -4.162 -10.736 1.00 0.00 H new ATOM 0 HA LYS B 7 1.355 -1.387 -10.613 1.00 0.00 H new ATOM 0 HB2 LYS B 7 1.124 -2.890 -12.654 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -0.610 -2.941 -12.403 1.00 0.00 H new ATOM 0 HG2 LYS B 7 0.258 -0.159 -12.393 1.00 0.00 H new ATOM 0 HG3 LYS B 7 0.899 -0.945 -13.822 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -1.212 -1.344 -14.728 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -1.955 -1.605 -13.162 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -0.972 1.198 -13.804 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -2.455 0.654 -14.564 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -3.016 1.573 -12.420 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -3.211 -0.110 -12.303 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -1.840 0.635 -11.633 1.00 0.00 H new ATOM 1050 N GLU B 8 -1.790 -2.012 -9.939 1.00 0.00 N ATOM 1051 CA GLU B 8 -3.010 -1.374 -9.363 1.00 0.00 C ATOM 1052 C GLU B 8 -2.752 -0.893 -7.950 1.00 0.00 C ATOM 1053 O GLU B 8 -3.258 0.122 -7.567 1.00 0.00 O ATOM 1054 CB GLU B 8 -4.120 -2.426 -9.364 1.00 0.00 C ATOM 1055 CG GLU B 8 -5.112 -2.144 -10.494 1.00 0.00 C ATOM 1056 CD GLU B 8 -5.599 -0.683 -10.461 1.00 0.00 C ATOM 1057 OE1 GLU B 8 -6.248 -0.309 -9.496 1.00 0.00 O ATOM 1058 OE2 GLU B 8 -5.321 0.034 -11.408 1.00 0.00 O ATOM 0 H GLU B 8 -1.859 -3.018 -10.093 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.295 -0.506 -9.957 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -3.689 -3.420 -9.487 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -4.638 -2.420 -8.405 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -4.640 -2.350 -11.455 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -5.966 -2.816 -10.407 1.00 0.00 H new ATOM 1065 N LEU B 9 -1.943 -1.583 -7.187 1.00 0.00 N ATOM 1066 CA LEU B 9 -1.652 -1.091 -5.800 1.00 0.00 C ATOM 1067 C LEU B 9 -0.774 0.156 -5.879 1.00 0.00 C ATOM 1068 O LEU B 9 -0.751 0.957 -4.966 1.00 0.00 O ATOM 1069 CB LEU B 9 -0.924 -2.176 -5.016 1.00 0.00 C ATOM 1070 CG LEU B 9 -1.506 -3.574 -5.258 1.00 0.00 C ATOM 1071 CD1 LEU B 9 -0.514 -4.620 -4.721 1.00 0.00 C ATOM 1072 CD2 LEU B 9 -2.855 -3.671 -4.527 1.00 0.00 C ATOM 0 H LEU B 9 -1.477 -2.450 -7.454 1.00 0.00 H new ATOM 0 HA LEU B 9 -2.588 -0.848 -5.297 1.00 0.00 H new ATOM 0 HB2 LEU B 9 0.130 -2.173 -5.293 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -0.975 -1.945 -3.952 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.665 -3.756 -6.321 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -0.915 -5.620 -4.886 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.438 -4.520 -5.242 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.361 -4.462 -3.653 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.285 -4.659 -4.687 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -2.703 -3.510 -3.460 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -3.534 -2.912 -4.915 1.00 0.00 H new ATOM 1084 N SER B 10 -0.077 0.345 -6.983 1.00 0.00 N ATOM 1085 CA SER B 10 0.749 1.561 -7.137 1.00 0.00 C ATOM 1086 C SER B 10 -0.220 2.762 -7.215 1.00 0.00 C ATOM 1087 O SER B 10 -0.100 3.718 -6.475 1.00 0.00 O ATOM 1088 CB SER B 10 1.528 1.341 -8.460 1.00 0.00 C ATOM 1089 OG SER B 10 1.434 2.483 -9.317 1.00 0.00 O ATOM 0 H SER B 10 -0.054 -0.298 -7.774 1.00 0.00 H new ATOM 0 HA SER B 10 1.447 1.752 -6.322 1.00 0.00 H new ATOM 0 HB2 SER B 10 2.575 1.136 -8.238 1.00 0.00 H new ATOM 0 HB3 SER B 10 1.134 0.465 -8.975 1.00 0.00 H new ATOM 0 HG SER B 10 1.936 2.315 -10.142 1.00 0.00 H new ATOM 1095 N VAL B 11 -1.200 2.677 -8.103 1.00 0.00 N ATOM 1096 CA VAL B 11 -2.208 3.783 -8.268 1.00 0.00 C ATOM 1097 C VAL B 11 -3.314 3.662 -7.205 1.00 0.00 C ATOM 1098 O VAL B 11 -3.515 4.565 -6.413 1.00 0.00 O ATOM 1099 CB VAL B 11 -2.780 3.597 -9.693 1.00 0.00 C ATOM 1100 CG1 VAL B 11 -3.638 4.808 -10.073 1.00 0.00 C ATOM 1101 CG2 VAL B 11 -1.634 3.442 -10.709 1.00 0.00 C ATOM 0 H VAL B 11 -1.341 1.880 -8.723 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.765 4.771 -8.140 1.00 0.00 H new ATOM 0 HB VAL B 11 -3.395 2.698 -9.708 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -4.037 4.670 -11.078 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -4.461 4.907 -9.366 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -3.026 5.710 -10.046 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -2.049 3.312 -11.708 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -1.007 4.334 -10.690 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -1.033 2.571 -10.449 1.00 0.00 H new ATOM 1111 N ALA B 12 -4.014 2.541 -7.179 1.00 0.00 N ATOM 1112 CA ALA B 12 -5.106 2.314 -6.170 1.00 0.00 C ATOM 1113 C ALA B 12 -4.559 2.400 -4.749 1.00 0.00 C ATOM 1114 O ALA B 12 -5.098 3.099 -3.926 1.00 0.00 O ATOM 1115 CB ALA B 12 -5.654 0.893 -6.437 1.00 0.00 C ATOM 0 H ALA B 12 -3.870 1.765 -7.825 1.00 0.00 H new ATOM 0 HA ALA B 12 -5.884 3.072 -6.264 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -6.454 0.673 -5.730 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -6.043 0.838 -7.454 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -4.852 0.165 -6.316 1.00 0.00 H new ATOM 1121 N GLY B 13 -3.485 1.709 -4.480 1.00 0.00 N ATOM 1122 CA GLY B 13 -2.875 1.709 -3.122 1.00 0.00 C ATOM 1123 C GLY B 13 -2.473 3.106 -2.693 1.00 0.00 C ATOM 1124 O GLY B 13 -2.911 3.579 -1.661 1.00 0.00 O ATOM 0 H GLY B 13 -2.994 1.131 -5.162 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -3.584 1.297 -2.404 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -2.000 1.059 -3.115 1.00 0.00 H new ATOM 1128 N ARG B 14 -1.606 3.747 -3.445 1.00 0.00 N ATOM 1129 CA ARG B 14 -1.135 5.111 -3.026 1.00 0.00 C ATOM 1130 C ARG B 14 -2.305 6.115 -2.854 1.00 0.00 C ATOM 1131 O ARG B 14 -2.320 6.874 -1.913 1.00 0.00 O ATOM 1132 CB ARG B 14 -0.152 5.605 -4.098 1.00 0.00 C ATOM 1133 CG ARG B 14 1.120 6.178 -3.449 1.00 0.00 C ATOM 1134 CD ARG B 14 0.793 7.246 -2.403 1.00 0.00 C ATOM 1135 NE ARG B 14 1.898 7.162 -1.394 1.00 0.00 N ATOM 1136 CZ ARG B 14 3.121 7.548 -1.689 1.00 0.00 C ATOM 1137 NH1 ARG B 14 3.342 8.766 -2.128 1.00 0.00 N ATOM 1138 NH2 ARG B 14 4.121 6.714 -1.529 1.00 0.00 N ATOM 0 H ARG B 14 -1.209 3.393 -4.316 1.00 0.00 H new ATOM 0 HA ARG B 14 -0.653 5.042 -2.051 1.00 0.00 H new ATOM 0 HB2 ARG B 14 0.112 4.782 -4.763 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -0.629 6.370 -4.711 1.00 0.00 H new ATOM 0 HG2 ARG B 14 1.684 5.371 -2.981 1.00 0.00 H new ATOM 0 HG3 ARG B 14 1.759 6.608 -4.220 1.00 0.00 H new ATOM 0 HD2 ARG B 14 0.747 8.237 -2.854 1.00 0.00 H new ATOM 0 HD3 ARG B 14 -0.177 7.060 -1.941 1.00 0.00 H new ATOM 0 HE ARG B 14 1.699 6.799 -0.462 1.00 0.00 H new ATOM 0 HH11 ARG B 14 2.564 9.416 -2.241 1.00 0.00 H new ATOM 0 HH12 ARG B 14 4.291 9.062 -2.356 1.00 0.00 H new ATOM 0 HH21 ARG B 14 3.948 5.772 -1.178 1.00 0.00 H new ATOM 0 HH22 ARG B 14 5.071 7.007 -1.756 1.00 0.00 H new ATOM 1152 N GLU B 15 -3.289 6.123 -3.737 1.00 0.00 N ATOM 1153 CA GLU B 15 -4.442 7.093 -3.564 1.00 0.00 C ATOM 1154 C GLU B 15 -5.224 6.763 -2.270 1.00 0.00 C ATOM 1155 O GLU B 15 -5.534 7.644 -1.491 1.00 0.00 O ATOM 1156 CB GLU B 15 -5.331 6.911 -4.797 1.00 0.00 C ATOM 1157 CG GLU B 15 -4.648 7.505 -6.036 1.00 0.00 C ATOM 1158 CD GLU B 15 -5.556 7.326 -7.259 1.00 0.00 C ATOM 1159 OE1 GLU B 15 -5.520 6.258 -7.849 1.00 0.00 O ATOM 1160 OE2 GLU B 15 -6.273 8.258 -7.581 1.00 0.00 O ATOM 0 H GLU B 15 -3.347 5.515 -4.554 1.00 0.00 H new ATOM 0 HA GLU B 15 -4.097 8.123 -3.476 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -5.532 5.852 -4.956 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -6.293 7.397 -4.635 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -4.440 8.563 -5.877 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -3.690 7.014 -6.206 1.00 0.00 H new ATOM 1167 N ILE B 16 -5.488 5.488 -2.038 1.00 0.00 N ATOM 1168 CA ILE B 16 -6.201 5.009 -0.789 1.00 0.00 C ATOM 1169 C ILE B 16 -5.385 5.354 0.470 1.00 0.00 C ATOM 1170 O ILE B 16 -5.929 5.589 1.537 1.00 0.00 O ATOM 1171 CB ILE B 16 -6.246 3.469 -0.940 1.00 0.00 C ATOM 1172 CG1 ILE B 16 -7.181 3.076 -2.092 1.00 0.00 C ATOM 1173 CG2 ILE B 16 -6.751 2.802 0.344 1.00 0.00 C ATOM 1174 CD1 ILE B 16 -6.968 1.604 -2.442 1.00 0.00 C ATOM 0 H ILE B 16 -5.232 4.737 -2.680 1.00 0.00 H new ATOM 0 HA ILE B 16 -7.184 5.469 -0.684 1.00 0.00 H new ATOM 0 HB ILE B 16 -5.231 3.130 -1.146 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -8.219 3.246 -1.806 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -6.984 3.700 -2.964 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -6.772 1.721 0.208 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -6.085 3.051 1.170 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -7.756 3.159 0.568 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -7.632 1.325 -3.260 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -5.933 1.448 -2.746 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -7.187 0.987 -1.570 1.00 0.00 H new ATOM 1186 N VAL B 17 -4.085 5.318 0.340 1.00 0.00 N ATOM 1187 CA VAL B 17 -3.172 5.566 1.490 1.00 0.00 C ATOM 1188 C VAL B 17 -2.829 7.066 1.680 1.00 0.00 C ATOM 1189 O VAL B 17 -2.229 7.420 2.684 1.00 0.00 O ATOM 1190 CB VAL B 17 -1.947 4.699 1.122 1.00 0.00 C ATOM 1191 CG1 VAL B 17 -0.919 5.448 0.294 1.00 0.00 C ATOM 1192 CG2 VAL B 17 -1.299 4.160 2.360 1.00 0.00 C ATOM 0 H VAL B 17 -3.608 5.122 -0.540 1.00 0.00 H new ATOM 0 HA VAL B 17 -3.608 5.305 2.455 1.00 0.00 H new ATOM 0 HB VAL B 17 -2.321 3.879 0.509 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -0.083 4.787 0.067 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -1.377 5.786 -0.636 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -0.558 6.310 0.855 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -0.438 3.551 2.084 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -0.972 4.988 2.989 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -2.015 3.548 2.909 1.00 0.00 H new ATOM 1202 N THR B 18 -3.177 7.945 0.743 1.00 0.00 N ATOM 1203 CA THR B 18 -2.825 9.405 0.917 1.00 0.00 C ATOM 1204 C THR B 18 -4.027 10.360 0.855 1.00 0.00 C ATOM 1205 O THR B 18 -3.816 11.562 0.963 1.00 0.00 O ATOM 1206 CB THR B 18 -1.841 9.759 -0.211 1.00 0.00 C ATOM 1207 OG1 THR B 18 -2.447 9.560 -1.490 1.00 0.00 O ATOM 1208 CG2 THR B 18 -0.584 8.905 -0.080 1.00 0.00 C ATOM 0 H THR B 18 -3.679 7.716 -0.115 1.00 0.00 H new ATOM 0 HA THR B 18 -2.404 9.533 1.914 1.00 0.00 H new ATOM 0 HB THR B 18 -1.570 10.811 -0.125 1.00 0.00 H new ATOM 0 HG1 THR B 18 -2.365 8.618 -1.748 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.112 9.157 -0.880 1.00 0.00 H new ATOM 0 HG22 THR B 18 -0.113 9.096 0.884 1.00 0.00 H new ATOM 0 HG23 THR B 18 -0.851 7.851 -0.151 1.00 0.00 H new ATOM 1216 N LEU B 19 -5.269 9.905 0.684 1.00 0.00 N ATOM 1217 CA LEU B 19 -6.388 10.927 0.635 1.00 0.00 C ATOM 1218 C LEU B 19 -6.460 11.720 1.977 1.00 0.00 C ATOM 1219 O LEU B 19 -6.102 11.204 3.023 1.00 0.00 O ATOM 1220 CB LEU B 19 -7.694 10.209 0.271 1.00 0.00 C ATOM 1221 CG LEU B 19 -7.984 9.024 1.185 1.00 0.00 C ATOM 1222 CD1 LEU B 19 -9.431 9.130 1.613 1.00 0.00 C ATOM 1223 CD2 LEU B 19 -7.781 7.711 0.418 1.00 0.00 C ATOM 0 H LEU B 19 -5.542 8.928 0.582 1.00 0.00 H new ATOM 0 HA LEU B 19 -6.200 11.674 -0.137 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -8.521 10.917 0.326 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -7.639 9.863 -0.761 1.00 0.00 H new ATOM 0 HG LEU B 19 -7.316 9.033 2.046 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -9.678 8.297 2.271 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -9.586 10.069 2.144 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -10.074 9.101 0.733 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -7.990 6.868 1.077 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -8.458 7.680 -0.436 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -6.751 7.650 0.067 1.00 0.00 H new ATOM 1235 N PRO B 20 -6.804 12.998 1.858 1.00 0.00 N ATOM 1236 CA PRO B 20 -6.781 13.952 3.024 1.00 0.00 C ATOM 1237 C PRO B 20 -7.887 13.768 4.082 1.00 0.00 C ATOM 1238 O PRO B 20 -7.645 14.017 5.252 1.00 0.00 O ATOM 1239 CB PRO B 20 -6.930 15.319 2.357 1.00 0.00 C ATOM 1240 CG PRO B 20 -7.630 15.058 1.062 1.00 0.00 C ATOM 1241 CD PRO B 20 -7.272 13.661 0.631 1.00 0.00 C ATOM 0 HA PRO B 20 -5.869 13.796 3.600 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -7.505 16.001 2.984 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -5.958 15.783 2.191 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -8.709 15.158 1.182 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -7.324 15.783 0.307 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -8.133 13.145 0.206 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -6.496 13.670 -0.135 1.00 0.00 H new ATOM 1249 N ASN B 21 -9.089 13.387 3.708 1.00 0.00 N ATOM 1250 CA ASN B 21 -10.190 13.258 4.742 1.00 0.00 C ATOM 1251 C ASN B 21 -10.244 11.861 5.387 1.00 0.00 C ATOM 1252 O ASN B 21 -11.189 11.550 6.093 1.00 0.00 O ATOM 1253 CB ASN B 21 -11.505 13.520 4.001 1.00 0.00 C ATOM 1254 CG ASN B 21 -11.595 14.956 3.457 1.00 0.00 C ATOM 1255 OD1 ASN B 21 -10.761 15.798 3.734 1.00 0.00 O ATOM 1256 ND2 ASN B 21 -12.606 15.268 2.695 1.00 0.00 N ATOM 0 H ASN B 21 -9.360 13.162 2.751 1.00 0.00 H new ATOM 0 HA ASN B 21 -10.009 13.964 5.552 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -11.600 12.815 3.175 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -12.342 13.337 4.675 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -12.697 16.217 2.332 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -13.306 14.563 2.462 1.00 0.00 H new ATOM 1263 N LEU B 22 -9.265 11.014 5.148 1.00 0.00 N ATOM 1264 CA LEU B 22 -9.292 9.639 5.740 1.00 0.00 C ATOM 1265 C LEU B 22 -8.499 9.560 7.042 1.00 0.00 C ATOM 1266 O LEU B 22 -7.612 10.357 7.307 1.00 0.00 O ATOM 1267 CB LEU B 22 -8.633 8.756 4.697 1.00 0.00 C ATOM 1268 CG LEU B 22 -8.968 7.280 4.910 1.00 0.00 C ATOM 1269 CD1 LEU B 22 -10.433 7.003 4.550 1.00 0.00 C ATOM 1270 CD2 LEU B 22 -8.056 6.446 4.014 1.00 0.00 C ATOM 0 H LEU B 22 -8.451 11.218 4.569 1.00 0.00 H new ATOM 0 HA LEU B 22 -10.312 9.340 5.981 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -8.958 9.063 3.703 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -7.552 8.893 4.735 1.00 0.00 H new ATOM 0 HG LEU B 22 -8.817 7.020 5.958 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -10.653 5.947 4.708 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -11.084 7.608 5.182 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -10.605 7.257 3.504 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -8.280 5.388 4.151 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -8.221 6.719 2.972 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -7.015 6.634 4.278 1.00 0.00 H new ATOM 1282 N ASN B 23 -8.799 8.558 7.818 1.00 0.00 N ATOM 1283 CA ASN B 23 -8.065 8.319 9.112 1.00 0.00 C ATOM 1284 C ASN B 23 -7.181 7.054 8.989 1.00 0.00 C ATOM 1285 O ASN B 23 -7.364 6.249 8.092 1.00 0.00 O ATOM 1286 CB ASN B 23 -9.146 8.197 10.215 1.00 0.00 C ATOM 1287 CG ASN B 23 -10.059 6.966 10.028 1.00 0.00 C ATOM 1288 OD1 ASN B 23 -9.861 6.161 9.148 1.00 0.00 O ATOM 1289 ND2 ASN B 23 -11.066 6.792 10.838 1.00 0.00 N ATOM 0 H ASN B 23 -9.532 7.878 7.616 1.00 0.00 H new ATOM 0 HA ASN B 23 -7.386 9.134 9.362 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -8.659 8.138 11.189 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -9.757 9.099 10.219 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -11.677 5.983 10.726 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -11.243 7.465 11.584 1.00 0.00 H new ATOM 1296 N ASP B 24 -6.199 6.907 9.862 1.00 0.00 N ATOM 1297 CA ASP B 24 -5.249 5.733 9.789 1.00 0.00 C ATOM 1298 C ASP B 24 -5.939 4.332 9.737 1.00 0.00 C ATOM 1299 O ASP B 24 -5.457 3.483 9.006 1.00 0.00 O ATOM 1300 CB ASP B 24 -4.267 5.900 10.990 1.00 0.00 C ATOM 1301 CG ASP B 24 -4.498 4.877 12.119 1.00 0.00 C ATOM 1302 OD1 ASP B 24 -4.114 3.728 11.949 1.00 0.00 O ATOM 1303 OD2 ASP B 24 -5.023 5.270 13.147 1.00 0.00 O ATOM 0 H ASP B 24 -6.013 7.555 10.628 1.00 0.00 H new ATOM 0 HA ASP B 24 -4.715 5.749 8.839 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -3.243 5.805 10.628 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -4.369 6.906 11.396 1.00 0.00 H new ATOM 1308 N PRO B 25 -7.010 4.094 10.502 1.00 0.00 N ATOM 1309 CA PRO B 25 -7.659 2.745 10.479 1.00 0.00 C ATOM 1310 C PRO B 25 -8.347 2.433 9.129 1.00 0.00 C ATOM 1311 O PRO B 25 -8.313 1.298 8.688 1.00 0.00 O ATOM 1312 CB PRO B 25 -8.675 2.807 11.618 1.00 0.00 C ATOM 1313 CG PRO B 25 -8.969 4.258 11.791 1.00 0.00 C ATOM 1314 CD PRO B 25 -7.712 5.002 11.432 1.00 0.00 C ATOM 0 HA PRO B 25 -6.928 1.945 10.600 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -9.578 2.247 11.373 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -8.270 2.374 12.533 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -9.796 4.564 11.150 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -9.265 4.473 12.818 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -7.936 5.959 10.962 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -7.108 5.214 12.314 1.00 0.00 H new ATOM 1322 N GLN B 26 -8.974 3.405 8.471 1.00 0.00 N ATOM 1323 CA GLN B 26 -9.653 3.107 7.164 1.00 0.00 C ATOM 1324 C GLN B 26 -8.618 2.804 6.074 1.00 0.00 C ATOM 1325 O GLN B 26 -8.722 1.781 5.428 1.00 0.00 O ATOM 1326 CB GLN B 26 -10.498 4.333 6.843 1.00 0.00 C ATOM 1327 CG GLN B 26 -11.693 4.357 7.810 1.00 0.00 C ATOM 1328 CD GLN B 26 -12.437 5.693 7.736 1.00 0.00 C ATOM 1329 OE1 GLN B 26 -12.057 6.587 7.010 1.00 0.00 O ATOM 1330 NE2 GLN B 26 -13.483 5.871 8.487 1.00 0.00 N ATOM 0 H GLN B 26 -9.039 4.373 8.784 1.00 0.00 H new ATOM 0 HA GLN B 26 -10.283 2.220 7.221 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -9.905 5.242 6.948 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -10.845 4.296 5.810 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -12.376 3.543 7.568 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -11.344 4.188 8.829 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -13.805 5.121 9.099 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -13.982 6.761 8.465 1.00 0.00 H new ATOM 1339 N LYS B 27 -7.599 3.648 5.891 1.00 0.00 N ATOM 1340 CA LYS B 27 -6.537 3.334 4.852 1.00 0.00 C ATOM 1341 C LYS B 27 -5.958 1.953 5.134 1.00 0.00 C ATOM 1342 O LYS B 27 -5.752 1.171 4.228 1.00 0.00 O ATOM 1343 CB LYS B 27 -5.423 4.398 4.909 1.00 0.00 C ATOM 1344 CG LYS B 27 -5.041 4.828 6.337 1.00 0.00 C ATOM 1345 CD LYS B 27 -4.367 6.205 6.277 1.00 0.00 C ATOM 1346 CE LYS B 27 -5.410 7.306 6.011 1.00 0.00 C ATOM 1347 NZ LYS B 27 -5.013 8.459 6.875 1.00 0.00 N ATOM 0 H LYS B 27 -7.462 4.519 6.405 1.00 0.00 H new ATOM 0 HA LYS B 27 -6.980 3.344 3.856 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -4.537 4.008 4.408 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -5.745 5.277 4.350 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -5.929 4.870 6.968 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -4.367 4.097 6.783 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -3.851 6.405 7.216 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -3.613 6.213 5.490 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -5.419 7.590 4.959 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -6.414 6.961 6.256 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -5.777 9.165 6.884 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -4.840 8.123 7.844 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -4.146 8.892 6.499 1.00 0.00 H new ATOM 1361 N LYS B 28 -5.747 1.642 6.394 1.00 0.00 N ATOM 1362 CA LYS B 28 -5.237 0.290 6.774 1.00 0.00 C ATOM 1363 C LYS B 28 -6.230 -0.789 6.296 1.00 0.00 C ATOM 1364 O LYS B 28 -5.844 -1.804 5.744 1.00 0.00 O ATOM 1365 CB LYS B 28 -5.235 0.271 8.317 1.00 0.00 C ATOM 1366 CG LYS B 28 -3.824 0.382 8.848 1.00 0.00 C ATOM 1367 CD LYS B 28 -3.224 -1.012 9.008 1.00 0.00 C ATOM 1368 CE LYS B 28 -1.691 -0.921 8.986 1.00 0.00 C ATOM 1369 NZ LYS B 28 -1.201 -2.084 9.790 1.00 0.00 N ATOM 0 H LYS B 28 -5.909 2.274 7.178 1.00 0.00 H new ATOM 0 HA LYS B 28 -4.256 0.098 6.340 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.838 1.095 8.697 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -5.693 -0.651 8.675 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -3.214 0.975 8.166 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -3.826 0.900 9.807 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -3.558 -1.457 9.945 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -3.571 -1.662 8.205 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -1.312 -0.964 7.965 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -1.349 0.022 9.414 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -0.272 -1.857 10.198 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -1.876 -2.286 10.555 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -1.115 -2.919 9.176 1.00 0.00 H new ATOM 1383 N ALA B 29 -7.513 -0.555 6.550 1.00 0.00 N ATOM 1384 CA ALA B 29 -8.589 -1.529 6.169 1.00 0.00 C ATOM 1385 C ALA B 29 -8.634 -1.780 4.658 1.00 0.00 C ATOM 1386 O ALA B 29 -8.631 -2.931 4.248 1.00 0.00 O ATOM 1387 CB ALA B 29 -9.905 -0.898 6.644 1.00 0.00 C ATOM 0 H ALA B 29 -7.855 0.287 7.013 1.00 0.00 H new ATOM 0 HA ALA B 29 -8.405 -2.501 6.627 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -10.736 -1.559 6.397 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -9.868 -0.749 7.723 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -10.047 0.063 6.150 1.00 0.00 H new ATOM 1393 N PHE B 30 -8.662 -0.749 3.815 1.00 0.00 N ATOM 1394 CA PHE B 30 -8.695 -1.049 2.342 1.00 0.00 C ATOM 1395 C PHE B 30 -7.299 -1.414 1.820 1.00 0.00 C ATOM 1396 O PHE B 30 -7.211 -2.220 0.933 1.00 0.00 O ATOM 1397 CB PHE B 30 -9.280 0.105 1.479 1.00 0.00 C ATOM 1398 CG PHE B 30 -9.731 1.340 2.212 1.00 0.00 C ATOM 1399 CD1 PHE B 30 -8.806 2.325 2.509 1.00 0.00 C ATOM 1400 CD2 PHE B 30 -11.086 1.542 2.496 1.00 0.00 C ATOM 1401 CE1 PHE B 30 -9.222 3.518 3.094 1.00 0.00 C ATOM 1402 CE2 PHE B 30 -11.497 2.724 3.095 1.00 0.00 C ATOM 1403 CZ PHE B 30 -10.568 3.717 3.390 1.00 0.00 C ATOM 0 H PHE B 30 -8.663 0.237 4.075 1.00 0.00 H new ATOM 0 HA PHE B 30 -9.367 -1.901 2.240 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -8.526 0.400 0.750 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -10.129 -0.287 0.919 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -7.761 2.168 2.287 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -11.810 0.780 2.250 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -8.500 4.290 3.318 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -12.540 2.874 3.333 1.00 0.00 H new ATOM 0 HZ PHE B 30 -10.890 4.641 3.848 1.00 0.00 H new ATOM 1413 N ILE B 31 -6.204 -0.854 2.329 1.00 0.00 N ATOM 1414 CA ILE B 31 -4.857 -1.262 1.770 1.00 0.00 C ATOM 1415 C ILE B 31 -4.628 -2.773 1.995 1.00 0.00 C ATOM 1416 O ILE B 31 -4.225 -3.474 1.086 1.00 0.00 O ATOM 1417 CB ILE B 31 -3.744 -0.447 2.475 1.00 0.00 C ATOM 1418 CG1 ILE B 31 -3.675 0.993 1.886 1.00 0.00 C ATOM 1419 CG2 ILE B 31 -2.376 -1.160 2.265 1.00 0.00 C ATOM 1420 CD1 ILE B 31 -2.233 1.403 1.669 1.00 0.00 C ATOM 0 H ILE B 31 -6.185 -0.160 3.077 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.832 -1.060 0.699 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.969 -0.382 3.540 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -4.218 1.033 0.942 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -4.162 1.694 2.564 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -1.589 -0.590 2.759 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -2.419 -2.163 2.690 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -2.160 -1.227 1.199 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -2.200 2.412 1.257 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.702 1.382 2.620 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.759 0.711 0.973 1.00 0.00 H new ATOM 1432 N PHE B 32 -4.863 -3.268 3.203 1.00 0.00 N ATOM 1433 CA PHE B 32 -4.642 -4.731 3.478 1.00 0.00 C ATOM 1434 C PHE B 32 -5.576 -5.583 2.588 1.00 0.00 C ATOM 1435 O PHE B 32 -5.146 -6.581 2.035 1.00 0.00 O ATOM 1436 CB PHE B 32 -4.884 -4.932 4.996 1.00 0.00 C ATOM 1437 CG PHE B 32 -3.600 -4.615 5.773 1.00 0.00 C ATOM 1438 CD1 PHE B 32 -2.930 -3.365 5.602 1.00 0.00 C ATOM 1439 CD2 PHE B 32 -3.035 -5.580 6.658 1.00 0.00 C ATOM 1440 CE1 PHE B 32 -1.751 -3.121 6.283 1.00 0.00 C ATOM 1441 CE2 PHE B 32 -1.853 -5.288 7.325 1.00 0.00 C ATOM 1442 CZ PHE B 32 -1.220 -4.074 7.135 1.00 0.00 C ATOM 0 H PHE B 32 -5.195 -2.723 3.999 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.631 -5.056 3.232 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -5.693 -4.285 5.333 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -5.194 -5.958 5.191 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -3.342 -2.614 4.944 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -3.523 -6.531 6.808 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -1.240 -2.179 6.149 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.424 -6.016 7.998 1.00 0.00 H new ATOM 0 HZ PHE B 32 -0.298 -3.866 7.658 1.00 0.00 H new ATOM 1452 N SER B 33 -6.822 -5.164 2.384 1.00 0.00 N ATOM 1453 CA SER B 33 -7.741 -5.928 1.454 1.00 0.00 C ATOM 1454 C SER B 33 -7.332 -5.663 -0.021 1.00 0.00 C ATOM 1455 O SER B 33 -7.440 -6.537 -0.856 1.00 0.00 O ATOM 1456 CB SER B 33 -9.167 -5.440 1.750 1.00 0.00 C ATOM 1457 OG SER B 33 -9.271 -4.051 1.498 1.00 0.00 O ATOM 0 H SER B 33 -7.234 -4.337 2.816 1.00 0.00 H new ATOM 0 HA SER B 33 -7.678 -7.005 1.609 1.00 0.00 H new ATOM 0 HB2 SER B 33 -9.881 -5.984 1.131 1.00 0.00 H new ATOM 0 HB3 SER B 33 -9.422 -5.649 2.789 1.00 0.00 H new ATOM 0 HG SER B 33 -8.377 -3.677 1.350 1.00 0.00 H new ATOM 1463 N LEU B 34 -6.816 -4.471 -0.316 1.00 0.00 N ATOM 1464 CA LEU B 34 -6.321 -4.126 -1.707 1.00 0.00 C ATOM 1465 C LEU B 34 -5.155 -5.061 -2.047 1.00 0.00 C ATOM 1466 O LEU B 34 -5.045 -5.555 -3.154 1.00 0.00 O ATOM 1467 CB LEU B 34 -5.845 -2.648 -1.603 1.00 0.00 C ATOM 1468 CG LEU B 34 -5.027 -2.198 -2.815 1.00 0.00 C ATOM 1469 CD1 LEU B 34 -5.944 -1.872 -4.007 1.00 0.00 C ATOM 1470 CD2 LEU B 34 -4.223 -0.943 -2.444 1.00 0.00 C ATOM 0 H LEU B 34 -6.717 -3.715 0.361 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.076 -4.240 -2.485 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.714 -1.999 -1.496 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -5.245 -2.528 -0.701 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.357 -3.009 -3.101 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.338 -1.555 -4.856 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -6.515 -2.759 -4.280 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -6.629 -1.071 -3.730 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.638 -0.618 -3.304 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.907 -0.147 -2.148 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.553 -1.172 -1.615 1.00 0.00 H new ATOM 1482 N TRP B 35 -4.301 -5.309 -1.075 1.00 0.00 N ATOM 1483 CA TRP B 35 -3.140 -6.218 -1.277 1.00 0.00 C ATOM 1484 C TRP B 35 -3.595 -7.677 -1.500 1.00 0.00 C ATOM 1485 O TRP B 35 -3.119 -8.345 -2.400 1.00 0.00 O ATOM 1486 CB TRP B 35 -2.338 -6.133 0.018 1.00 0.00 C ATOM 1487 CG TRP B 35 -1.126 -6.953 -0.174 1.00 0.00 C ATOM 1488 CD1 TRP B 35 -0.928 -8.167 0.353 1.00 0.00 C ATOM 1489 CD2 TRP B 35 0.020 -6.669 -1.000 1.00 0.00 C ATOM 1490 NE1 TRP B 35 0.284 -8.638 -0.074 1.00 0.00 N ATOM 1491 CE2 TRP B 35 0.917 -7.741 -0.900 1.00 0.00 C ATOM 1492 CE3 TRP B 35 0.367 -5.582 -1.802 1.00 0.00 C ATOM 1493 CZ2 TRP B 35 2.123 -7.736 -1.574 1.00 0.00 C ATOM 1494 CZ3 TRP B 35 1.580 -5.573 -2.486 1.00 0.00 C ATOM 1495 CH2 TRP B 35 2.453 -6.640 -2.369 1.00 0.00 C ATOM 0 H TRP B 35 -4.368 -4.909 -0.139 1.00 0.00 H new ATOM 0 HA TRP B 35 -2.565 -5.927 -2.156 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -2.074 -5.099 0.241 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -2.924 -6.501 0.860 1.00 0.00 H new ATOM 0 HD1 TRP B 35 -1.611 -8.689 1.007 1.00 0.00 H new ATOM 0 HE1 TRP B 35 0.670 -9.545 0.189 1.00 0.00 H new ATOM 0 HE3 TRP B 35 -0.308 -4.744 -1.893 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 2.802 -8.571 -1.486 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 1.840 -4.731 -3.110 1.00 0.00 H new ATOM 0 HH2 TRP B 35 3.395 -6.623 -2.897 1.00 0.00 H new ATOM 1506 N ASP B 36 -4.491 -8.170 -0.664 1.00 0.00 N ATOM 1507 CA ASP B 36 -4.970 -9.583 -0.783 1.00 0.00 C ATOM 1508 C ASP B 36 -5.886 -9.747 -1.997 1.00 0.00 C ATOM 1509 O ASP B 36 -5.827 -10.753 -2.683 1.00 0.00 O ATOM 1510 CB ASP B 36 -5.737 -9.864 0.519 1.00 0.00 C ATOM 1511 CG ASP B 36 -5.949 -11.373 0.683 1.00 0.00 C ATOM 1512 OD1 ASP B 36 -5.063 -12.020 1.223 1.00 0.00 O ATOM 1513 OD2 ASP B 36 -6.989 -11.857 0.269 1.00 0.00 O ATOM 0 H ASP B 36 -4.911 -7.643 0.101 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.143 -10.279 -0.924 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -5.182 -9.471 1.371 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -6.699 -9.352 0.502 1.00 0.00 H new ATOM 1518 N ASP B 37 -6.734 -8.770 -2.262 1.00 0.00 N ATOM 1519 CA ASP B 37 -7.659 -8.872 -3.419 1.00 0.00 C ATOM 1520 C ASP B 37 -7.597 -7.594 -4.279 1.00 0.00 C ATOM 1521 O ASP B 37 -8.549 -6.827 -4.310 1.00 0.00 O ATOM 1522 CB ASP B 37 -9.075 -9.073 -2.829 1.00 0.00 C ATOM 1523 CG ASP B 37 -9.076 -10.175 -1.758 1.00 0.00 C ATOM 1524 OD1 ASP B 37 -9.010 -11.336 -2.127 1.00 0.00 O ATOM 1525 OD2 ASP B 37 -9.139 -9.835 -0.588 1.00 0.00 O ATOM 0 H ASP B 37 -6.816 -7.911 -1.719 1.00 0.00 H new ATOM 0 HA ASP B 37 -7.386 -9.702 -4.071 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -9.427 -8.138 -2.394 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -9.771 -9.335 -3.626 1.00 0.00 H new ATOM 1530 N PRO B 38 -6.487 -7.409 -4.990 1.00 0.00 N ATOM 1531 CA PRO B 38 -6.356 -6.228 -5.887 1.00 0.00 C ATOM 1532 C PRO B 38 -7.328 -6.320 -7.080 1.00 0.00 C ATOM 1533 O PRO B 38 -7.507 -5.348 -7.785 1.00 0.00 O ATOM 1534 CB PRO B 38 -4.918 -6.255 -6.338 1.00 0.00 C ATOM 1535 CG PRO B 38 -4.512 -7.689 -6.208 1.00 0.00 C ATOM 1536 CD PRO B 38 -5.273 -8.241 -5.032 1.00 0.00 C ATOM 0 HA PRO B 38 -6.608 -5.295 -5.383 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -4.818 -5.906 -7.366 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -4.296 -5.609 -5.719 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -4.746 -8.243 -7.117 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -3.437 -7.776 -6.050 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -5.513 -9.295 -5.168 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -4.699 -8.161 -4.109 1.00 0.00 H new ATOM 1544 N SER B 39 -8.008 -7.447 -7.281 1.00 0.00 N ATOM 1545 CA SER B 39 -9.040 -7.518 -8.379 1.00 0.00 C ATOM 1546 C SER B 39 -10.105 -6.448 -8.055 1.00 0.00 C ATOM 1547 O SER B 39 -10.614 -5.765 -8.925 1.00 0.00 O ATOM 1548 CB SER B 39 -9.646 -8.923 -8.298 1.00 0.00 C ATOM 1549 OG SER B 39 -9.962 -9.378 -9.607 1.00 0.00 O ATOM 0 H SER B 39 -7.891 -8.303 -6.739 1.00 0.00 H new ATOM 0 HA SER B 39 -8.636 -7.340 -9.376 1.00 0.00 H new ATOM 0 HB2 SER B 39 -8.943 -9.607 -7.823 1.00 0.00 H new ATOM 0 HB3 SER B 39 -10.544 -8.909 -7.680 1.00 0.00 H new ATOM 0 HG SER B 39 -10.348 -10.277 -9.556 1.00 0.00 H new ATOM 1555 N GLN B 40 -10.371 -6.277 -6.766 1.00 0.00 N ATOM 1556 CA GLN B 40 -11.323 -5.233 -6.264 1.00 0.00 C ATOM 1557 C GLN B 40 -10.610 -3.875 -6.083 1.00 0.00 C ATOM 1558 O GLN B 40 -11.180 -2.983 -5.511 1.00 0.00 O ATOM 1559 CB GLN B 40 -11.745 -5.735 -4.869 1.00 0.00 C ATOM 1560 CG GLN B 40 -13.115 -6.396 -4.921 1.00 0.00 C ATOM 1561 CD GLN B 40 -12.996 -7.796 -5.539 1.00 0.00 C ATOM 1562 OE1 GLN B 40 -13.446 -8.023 -6.643 1.00 0.00 O ATOM 1563 NE2 GLN B 40 -12.401 -8.752 -4.872 1.00 0.00 N ATOM 0 H GLN B 40 -9.950 -6.840 -6.027 1.00 0.00 H new ATOM 0 HA GLN B 40 -12.152 -5.089 -6.957 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -11.008 -6.446 -4.496 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -11.766 -4.900 -4.169 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -13.533 -6.467 -3.917 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -13.801 -5.786 -5.509 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -12.021 -8.566 -3.944 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -12.317 -9.683 -5.280 1.00 0.00 H new ATOM 1572 N SER B 41 -9.367 -3.718 -6.515 1.00 0.00 N ATOM 1573 CA SER B 41 -8.623 -2.421 -6.298 1.00 0.00 C ATOM 1574 C SER B 41 -9.440 -1.185 -6.728 1.00 0.00 C ATOM 1575 O SER B 41 -9.341 -0.150 -6.100 1.00 0.00 O ATOM 1576 CB SER B 41 -7.338 -2.535 -7.083 1.00 0.00 C ATOM 1577 OG SER B 41 -7.614 -2.663 -8.474 1.00 0.00 O ATOM 0 H SER B 41 -8.837 -4.435 -7.009 1.00 0.00 H new ATOM 0 HA SER B 41 -8.430 -2.271 -5.236 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.719 -1.655 -6.908 1.00 0.00 H new ATOM 0 HB3 SER B 41 -6.769 -3.399 -6.738 1.00 0.00 H new ATOM 0 HG SER B 41 -7.669 -3.612 -8.710 1.00 0.00 H new ATOM 1583 N ALA B 42 -10.289 -1.297 -7.745 1.00 0.00 N ATOM 1584 CA ALA B 42 -11.165 -0.128 -8.127 1.00 0.00 C ATOM 1585 C ALA B 42 -12.093 0.154 -6.928 1.00 0.00 C ATOM 1586 O ALA B 42 -12.277 1.289 -6.537 1.00 0.00 O ATOM 1587 CB ALA B 42 -11.969 -0.582 -9.351 1.00 0.00 C ATOM 0 H ALA B 42 -10.408 -2.134 -8.315 1.00 0.00 H new ATOM 0 HA ALA B 42 -10.608 0.778 -8.364 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -12.625 0.226 -9.676 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -11.286 -0.842 -10.159 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -12.569 -1.454 -9.089 1.00 0.00 H new ATOM 1593 N ASN B 43 -12.607 -0.906 -6.307 1.00 0.00 N ATOM 1594 CA ASN B 43 -13.452 -0.782 -5.078 1.00 0.00 C ATOM 1595 C ASN B 43 -12.631 -0.137 -3.953 1.00 0.00 C ATOM 1596 O ASN B 43 -13.122 0.678 -3.213 1.00 0.00 O ATOM 1597 CB ASN B 43 -13.761 -2.225 -4.657 1.00 0.00 C ATOM 1598 CG ASN B 43 -14.917 -2.237 -3.658 1.00 0.00 C ATOM 1599 OD1 ASN B 43 -16.069 -2.205 -4.039 1.00 0.00 O ATOM 1600 ND2 ASN B 43 -14.652 -2.271 -2.383 1.00 0.00 N ATOM 0 H ASN B 43 -12.465 -1.867 -6.619 1.00 0.00 H new ATOM 0 HA ASN B 43 -14.344 -0.183 -5.263 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -14.019 -2.822 -5.532 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -12.877 -2.680 -4.210 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -15.413 -2.271 -1.704 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -13.684 -2.298 -2.064 1.00 0.00 H new ATOM 1607 N LEU B 44 -11.380 -0.543 -3.834 1.00 0.00 N ATOM 1608 CA LEU B 44 -10.468 -0.012 -2.770 1.00 0.00 C ATOM 1609 C LEU B 44 -10.228 1.487 -2.978 1.00 0.00 C ATOM 1610 O LEU B 44 -10.381 2.288 -2.078 1.00 0.00 O ATOM 1611 CB LEU B 44 -9.154 -0.798 -2.971 1.00 0.00 C ATOM 1612 CG LEU B 44 -9.176 -2.161 -2.270 1.00 0.00 C ATOM 1613 CD1 LEU B 44 -9.494 -1.973 -0.792 1.00 0.00 C ATOM 1614 CD2 LEU B 44 -10.149 -3.134 -2.937 1.00 0.00 C ATOM 0 H LEU B 44 -10.949 -1.236 -4.446 1.00 0.00 H new ATOM 0 HA LEU B 44 -10.878 -0.130 -1.767 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -8.980 -0.943 -4.037 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -8.320 -0.210 -2.589 1.00 0.00 H new ATOM 0 HG LEU B 44 -8.187 -2.609 -2.361 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -9.509 -2.944 -0.297 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -8.732 -1.343 -0.333 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -10.469 -1.497 -0.687 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -10.132 -4.086 -2.407 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -11.157 -2.720 -2.906 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -9.853 -3.290 -3.974 1.00 0.00 H new ATOM 1626 N LEU B 45 -9.872 1.833 -4.185 1.00 0.00 N ATOM 1627 CA LEU B 45 -9.615 3.249 -4.590 1.00 0.00 C ATOM 1628 C LEU B 45 -10.904 4.080 -4.428 1.00 0.00 C ATOM 1629 O LEU B 45 -10.875 5.190 -3.926 1.00 0.00 O ATOM 1630 CB LEU B 45 -9.204 3.114 -6.080 1.00 0.00 C ATOM 1631 CG LEU B 45 -8.578 4.391 -6.647 1.00 0.00 C ATOM 1632 CD1 LEU B 45 -9.685 5.330 -7.123 1.00 0.00 C ATOM 1633 CD2 LEU B 45 -7.701 5.074 -5.595 1.00 0.00 C ATOM 0 H LEU B 45 -9.743 1.161 -4.942 1.00 0.00 H new ATOM 0 HA LEU B 45 -8.856 3.755 -3.993 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -8.495 2.292 -6.182 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -10.082 2.853 -6.671 1.00 0.00 H new ATOM 0 HG LEU B 45 -7.942 4.134 -7.494 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -9.241 6.240 -7.527 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -10.272 4.837 -7.898 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -10.333 5.584 -6.284 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -7.265 5.980 -6.017 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -8.308 5.334 -4.728 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -6.904 4.396 -5.290 1.00 0.00 H new ATOM 1645 N ALA B 46 -12.030 3.519 -4.830 1.00 0.00 N ATOM 1646 CA ALA B 46 -13.351 4.220 -4.693 1.00 0.00 C ATOM 1647 C ALA B 46 -13.740 4.323 -3.214 1.00 0.00 C ATOM 1648 O ALA B 46 -14.110 5.379 -2.743 1.00 0.00 O ATOM 1649 CB ALA B 46 -14.344 3.326 -5.428 1.00 0.00 C ATOM 0 H ALA B 46 -12.086 2.592 -5.252 1.00 0.00 H new ATOM 0 HA ALA B 46 -13.325 5.233 -5.095 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -15.339 3.768 -5.376 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -14.044 3.230 -6.471 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -14.360 2.340 -4.963 1.00 0.00 H new ATOM 1655 N GLU B 47 -13.640 3.223 -2.489 1.00 0.00 N ATOM 1656 CA GLU B 47 -13.975 3.204 -1.029 1.00 0.00 C ATOM 1657 C GLU B 47 -13.083 4.190 -0.272 1.00 0.00 C ATOM 1658 O GLU B 47 -13.527 4.844 0.642 1.00 0.00 O ATOM 1659 CB GLU B 47 -13.685 1.768 -0.557 1.00 0.00 C ATOM 1660 CG GLU B 47 -14.076 1.601 0.921 1.00 0.00 C ATOM 1661 CD GLU B 47 -15.565 1.919 1.128 1.00 0.00 C ATOM 1662 OE1 GLU B 47 -16.392 1.169 0.631 1.00 0.00 O ATOM 1663 OE2 GLU B 47 -15.850 2.908 1.787 1.00 0.00 O ATOM 0 H GLU B 47 -13.334 2.324 -2.861 1.00 0.00 H new ATOM 0 HA GLU B 47 -15.011 3.491 -0.849 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -14.241 1.058 -1.169 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -12.627 1.542 -0.688 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -13.869 0.581 1.244 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -13.469 2.261 1.540 1.00 0.00 H new ATOM 1670 N ALA B 48 -11.835 4.298 -0.668 1.00 0.00 N ATOM 1671 CA ALA B 48 -10.891 5.248 0.005 1.00 0.00 C ATOM 1672 C ALA B 48 -11.383 6.689 -0.196 1.00 0.00 C ATOM 1673 O ALA B 48 -11.562 7.422 0.758 1.00 0.00 O ATOM 1674 CB ALA B 48 -9.534 5.020 -0.683 1.00 0.00 C ATOM 0 H ALA B 48 -11.427 3.764 -1.435 1.00 0.00 H new ATOM 0 HA ALA B 48 -10.820 5.084 1.080 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -8.788 5.682 -0.244 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -9.226 3.984 -0.545 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -9.626 5.233 -1.748 1.00 0.00 H new ATOM 1680 N LYS B 49 -11.621 7.078 -1.433 1.00 0.00 N ATOM 1681 CA LYS B 49 -12.118 8.467 -1.734 1.00 0.00 C ATOM 1682 C LYS B 49 -13.535 8.688 -1.166 1.00 0.00 C ATOM 1683 O LYS B 49 -13.792 9.694 -0.544 1.00 0.00 O ATOM 1684 CB LYS B 49 -12.120 8.578 -3.267 1.00 0.00 C ATOM 1685 CG LYS B 49 -10.682 8.462 -3.794 1.00 0.00 C ATOM 1686 CD LYS B 49 -10.662 8.640 -5.315 1.00 0.00 C ATOM 1687 CE LYS B 49 -9.298 8.194 -5.873 1.00 0.00 C ATOM 1688 NZ LYS B 49 -8.332 9.287 -5.537 1.00 0.00 N ATOM 0 H LYS B 49 -11.491 6.487 -2.254 1.00 0.00 H new ATOM 0 HA LYS B 49 -11.485 9.226 -1.273 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -12.740 7.792 -3.698 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -12.554 9.530 -3.572 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -10.052 9.217 -3.324 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.267 7.490 -3.528 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -11.461 8.054 -5.770 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -10.847 9.683 -5.571 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -8.986 7.249 -5.429 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -9.350 8.038 -6.951 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -7.471 9.178 -6.111 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -8.768 10.210 -5.738 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -8.085 9.234 -4.528 1.00 0.00 H new ATOM 1702 N LYS B 50 -14.449 7.758 -1.373 1.00 0.00 N ATOM 1703 CA LYS B 50 -15.851 7.924 -0.831 1.00 0.00 C ATOM 1704 C LYS B 50 -15.859 7.937 0.711 1.00 0.00 C ATOM 1705 O LYS B 50 -16.587 8.706 1.314 1.00 0.00 O ATOM 1706 CB LYS B 50 -16.664 6.738 -1.369 1.00 0.00 C ATOM 1707 CG LYS B 50 -16.926 6.934 -2.867 1.00 0.00 C ATOM 1708 CD LYS B 50 -17.849 5.822 -3.379 1.00 0.00 C ATOM 1709 CE LYS B 50 -18.149 6.046 -4.869 1.00 0.00 C ATOM 1710 NZ LYS B 50 -17.110 5.273 -5.616 1.00 0.00 N ATOM 0 H LYS B 50 -14.288 6.894 -1.891 1.00 0.00 H new ATOM 0 HA LYS B 50 -16.278 8.875 -1.148 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -16.122 5.807 -1.203 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -17.609 6.657 -0.831 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -17.382 7.908 -3.042 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -15.984 6.920 -3.416 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -17.378 4.850 -3.235 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -18.777 5.814 -2.808 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -19.151 5.700 -5.122 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -18.105 7.105 -5.122 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -17.220 5.440 -6.637 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -16.164 5.582 -5.314 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -17.223 4.258 -5.418 1.00 0.00 H new ATOM 1724 N LEU B 51 -15.051 7.101 1.343 1.00 0.00 N ATOM 1725 CA LEU B 51 -14.998 7.069 2.849 1.00 0.00 C ATOM 1726 C LEU B 51 -14.464 8.412 3.398 1.00 0.00 C ATOM 1727 O LEU B 51 -14.921 8.875 4.429 1.00 0.00 O ATOM 1728 CB LEU B 51 -14.081 5.878 3.204 1.00 0.00 C ATOM 1729 CG LEU B 51 -14.062 5.598 4.720 1.00 0.00 C ATOM 1730 CD1 LEU B 51 -15.466 5.738 5.331 1.00 0.00 C ATOM 1731 CD2 LEU B 51 -13.564 4.163 4.954 1.00 0.00 C ATOM 0 H LEU B 51 -14.427 6.441 0.879 1.00 0.00 H new ATOM 0 HA LEU B 51 -15.982 6.940 3.300 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -14.421 4.988 2.675 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -13.068 6.085 2.861 1.00 0.00 H new ATOM 0 HG LEU B 51 -13.402 6.323 5.196 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -15.419 5.534 6.401 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -15.833 6.752 5.170 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -16.142 5.027 4.856 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -13.546 3.954 6.024 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -14.233 3.460 4.458 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -12.559 4.056 4.547 1.00 0.00 H new ATOM 1743 N ASN B 52 -13.534 9.052 2.699 1.00 0.00 N ATOM 1744 CA ASN B 52 -13.006 10.385 3.156 1.00 0.00 C ATOM 1745 C ASN B 52 -14.160 11.417 3.223 1.00 0.00 C ATOM 1746 O ASN B 52 -14.172 12.285 4.072 1.00 0.00 O ATOM 1747 CB ASN B 52 -11.900 10.749 2.115 1.00 0.00 C ATOM 1748 CG ASN B 52 -12.268 11.892 1.129 1.00 0.00 C ATOM 1749 OD1 ASN B 52 -13.349 11.973 0.606 1.00 0.00 O ATOM 1750 ND2 ASN B 52 -11.365 12.770 0.825 1.00 0.00 N ATOM 0 H ASN B 52 -13.123 8.703 1.833 1.00 0.00 H new ATOM 0 HA ASN B 52 -12.586 10.371 4.162 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -10.996 11.033 2.654 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -11.660 9.856 1.537 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -11.578 13.509 0.155 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -10.441 12.722 1.255 1.00 0.00 H new ATOM 1757 N ASP B 53 -15.128 11.308 2.323 1.00 0.00 N ATOM 1758 CA ASP B 53 -16.284 12.259 2.298 1.00 0.00 C ATOM 1759 C ASP B 53 -17.193 12.067 3.523 1.00 0.00 C ATOM 1760 O ASP B 53 -17.775 13.017 4.018 1.00 0.00 O ATOM 1761 CB ASP B 53 -17.057 11.927 1.015 1.00 0.00 C ATOM 1762 CG ASP B 53 -18.008 13.078 0.672 1.00 0.00 C ATOM 1763 OD1 ASP B 53 -17.559 14.027 0.047 1.00 0.00 O ATOM 1764 OD2 ASP B 53 -19.169 12.993 1.037 1.00 0.00 O ATOM 0 H ASP B 53 -15.157 10.589 1.601 1.00 0.00 H new ATOM 0 HA ASP B 53 -15.942 13.294 2.322 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -16.361 11.760 0.193 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -17.621 11.004 1.148 1.00 0.00 H new ATOM 1769 N ALA B 54 -17.318 10.842 4.011 1.00 0.00 N ATOM 1770 CA ALA B 54 -18.191 10.571 5.203 1.00 0.00 C ATOM 1771 C ALA B 54 -17.649 11.286 6.453 1.00 0.00 C ATOM 1772 O ALA B 54 -18.409 11.731 7.296 1.00 0.00 O ATOM 1773 CB ALA B 54 -18.148 9.050 5.381 1.00 0.00 C ATOM 0 H ALA B 54 -16.849 10.020 3.629 1.00 0.00 H new ATOM 0 HA ALA B 54 -19.207 10.939 5.060 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -18.763 8.766 6.235 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -18.531 8.567 4.482 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -17.119 8.733 5.553 1.00 0.00 H new ATOM 1779 N GLN B 55 -16.341 11.410 6.562 1.00 0.00 N ATOM 1780 CA GLN B 55 -15.714 12.102 7.735 1.00 0.00 C ATOM 1781 C GLN B 55 -15.575 13.609 7.459 1.00 0.00 C ATOM 1782 O GLN B 55 -15.777 14.423 8.343 1.00 0.00 O ATOM 1783 CB GLN B 55 -14.339 11.445 7.865 1.00 0.00 C ATOM 1784 CG GLN B 55 -14.497 10.016 8.392 1.00 0.00 C ATOM 1785 CD GLN B 55 -13.164 9.291 8.247 1.00 0.00 C ATOM 1786 OE1 GLN B 55 -12.639 8.754 9.200 1.00 0.00 O ATOM 1787 NE2 GLN B 55 -12.589 9.261 7.081 1.00 0.00 N ATOM 0 H GLN B 55 -15.675 11.055 5.876 1.00 0.00 H new ATOM 0 HA GLN B 55 -16.307 12.010 8.645 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -13.838 11.432 6.897 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -13.711 12.025 8.541 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -14.807 10.031 9.437 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -15.274 9.492 7.836 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -13.033 9.713 6.282 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -11.694 8.785 6.966 1.00 0.00 H new ATOM 1796 N ALA B 56 -15.211 13.976 6.242 1.00 0.00 N ATOM 1797 CA ALA B 56 -15.030 15.420 5.887 1.00 0.00 C ATOM 1798 C ALA B 56 -15.519 15.703 4.453 1.00 0.00 C ATOM 1799 O ALA B 56 -15.499 14.821 3.623 1.00 0.00 O ATOM 1800 CB ALA B 56 -13.522 15.628 5.974 1.00 0.00 C ATOM 0 H ALA B 56 -15.032 13.325 5.477 1.00 0.00 H new ATOM 0 HA ALA B 56 -15.597 16.082 6.542 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -13.283 16.663 5.730 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -13.182 15.406 6.985 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -13.022 14.964 5.269 1.00 0.00 H new ATOM 1806 N PRO B 57 -15.930 16.935 4.202 1.00 0.00 N ATOM 1807 CA PRO B 57 -16.411 17.318 2.843 1.00 0.00 C ATOM 1808 C PRO B 57 -15.231 17.440 1.861 1.00 0.00 C ATOM 1809 O PRO B 57 -14.136 17.828 2.238 1.00 0.00 O ATOM 1810 CB PRO B 57 -17.078 18.673 3.063 1.00 0.00 C ATOM 1811 CG PRO B 57 -16.421 19.236 4.282 1.00 0.00 C ATOM 1812 CD PRO B 57 -15.979 18.073 5.134 1.00 0.00 C ATOM 0 HA PRO B 57 -17.087 16.581 2.410 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -16.937 19.326 2.202 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -18.153 18.565 3.209 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -15.568 19.856 4.006 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -17.114 19.873 4.832 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -15.005 18.259 5.586 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -16.679 17.889 5.949 1.00 0.00 H new ATOM 1820 N LYS B 58 -15.457 17.121 0.604 1.00 0.00 N ATOM 1821 CA LYS B 58 -14.362 17.226 -0.424 1.00 0.00 C ATOM 1822 C LYS B 58 -14.192 18.683 -0.885 1.00 0.00 C ATOM 1823 O LYS B 58 -15.180 19.296 -1.273 1.00 0.00 O ATOM 1824 CB LYS B 58 -14.797 16.330 -1.595 1.00 0.00 C ATOM 1825 CG LYS B 58 -14.631 14.855 -1.218 1.00 0.00 C ATOM 1826 CD LYS B 58 -15.025 13.980 -2.413 1.00 0.00 C ATOM 1827 CE LYS B 58 -14.878 12.496 -2.046 1.00 0.00 C ATOM 1828 NZ LYS B 58 -13.462 12.140 -2.371 1.00 0.00 N ATOM 1829 OXT LYS B 58 -13.072 19.165 -0.840 1.00 0.00 O ATOM 0 H LYS B 58 -16.353 16.792 0.244 1.00 0.00 H new ATOM 0 HA LYS B 58 -13.400 16.911 -0.019 1.00 0.00 H new ATOM 0 HB2 LYS B 58 -15.837 16.533 -1.852 1.00 0.00 H new ATOM 0 HB3 LYS B 58 -14.200 16.557 -2.478 1.00 0.00 H new ATOM 0 HG2 LYS B 58 -13.599 14.655 -0.931 1.00 0.00 H new ATOM 0 HG3 LYS B 58 -15.254 14.616 -0.356 1.00 0.00 H new ATOM 0 HD2 LYS B 58 -16.054 14.191 -2.706 1.00 0.00 H new ATOM 0 HD3 LYS B 58 -14.395 14.216 -3.271 1.00 0.00 H new ATOM 0 HE2 LYS B 58 -15.091 12.330 -0.990 1.00 0.00 H new ATOM 0 HE3 LYS B 58 -15.577 11.881 -2.613 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 -13.449 11.335 -3.030 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 -12.991 12.956 -2.812 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 -12.960 11.881 -1.498 1.00 0.00 H new TER 1843 LYS B 58