USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 923 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 21 ASN : amide:sc= -2.43! K(o=-10!,f=-6.6) USER MOD Set 1.2: B 52 ASN : amide:sc= -7.75! C(o=-10!,f=-7.1!) USER MOD Set 2.1: B 39 SER OG : rot -175:sc= 0.802 USER MOD Set 2.2: B 40 GLN : amide:sc= 0.779 X(o=1.6,f=2.1) USER MOD Set 3.1: B 26 GLN : amide:sc= -8.61! K(o=-14!,f=-2.2) USER MOD Set 3.2: B 55 GLN : amide:sc= -5.87! K(o=-14!,f=-2.2) USER MOD Set 4.1: A 21 ASN : amide:sc= -4.47! K(o=-16!,f=-12) USER MOD Set 4.2: A 52 ASN : amide:sc= -11.1! C(o=-16!,f=-20!) USER MOD Set 5.1: A 26 GLN : amide:sc= -6.86! K(o=-17!,f=-4) USER MOD Set 5.2: A 55 GLN : amide:sc= -9.88! C(o=-17!,f=-4!) USER MOD Set 6.1: A 13 THR OG1 : rot -137:sc= -1.61 USER MOD Set 6.2: B 17 MET CE :methyl -134:sc= -12.9! (180deg=-13.1!) USER MOD Set 7.1: A 7 LYS NZ :NH3+ 160:sc= -0.795 (180deg=-0.683) USER MOD Set 7.2: B 7 LYS NZ :NH3+ -129:sc= 0.426 (180deg=-0.667) USER MOD Set 8.1: A 3 ASN : amide:sc= 0.343 K(o=-2.3,f=-16!) USER MOD Set 8.2: A 6 ASN : amide:sc= -2.65 K(o=-2.3,f=-10!) USER MOD Single : A 1 VAL N :NH3+ 151:sc= -0.516 (180deg=-0.953) USER MOD Single : A 4 LYS NZ :NH3+ 126:sc= -0.921 (180deg=-1.64) USER MOD Single : A 18 ASN : amide:sc= -4.19 K(o=-4.2,f=-3.2) USER MOD Single : A 23 ASN : amide:sc= -0.815 K(o=-0.82,f=-11!) USER MOD Single : A 28 LYS NZ :NH3+ -151:sc= -0.158 (180deg=-2.12) USER MOD Single : A 33 SER OG : rot 76:sc= 0.827 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.0953 K(o=-0.095,f=-1.3) USER MOD Single : A 41 SER OG : rot -94:sc= 0.567 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -173:sc= -1.02 (180deg=-1.21) USER MOD Single : A 50 LYS NZ :NH3+ -156:sc= -0.0773 (180deg=-0.665) USER MOD Single : A 58 LYS NZ :NH3+ -149:sc= -0.61 (180deg=-2.42!) USER MOD Single : B 1 VAL N :NH3+ 177:sc= -0.47 (180deg=-0.512) USER MOD Single : B 3 ASN : amide:sc= -0.999 K(o=-1,f=-3.6) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 ASN : amide:sc= -1.58! K(o=-1.6!,f=-0.34) USER MOD Single : B 23 ASN : amide:sc= -8.88! C(o=-8.9!,f=-18!) USER MOD Single : B 24 SER OG : rot 155:sc= 0.21 USER MOD Single : B 32 ASN : amide:sc=-0.000486 K(o=-0.00049,f=-1.3!) USER MOD Single : B 33 SER OG : rot 88:sc= 0.14 USER MOD Single : B 41 SER OG : rot -1:sc= -2.07 USER MOD Single : B 43 ASN : amide:sc= -0.958 K(o=-0.96,f=-0.082) USER MOD Single : B 49 LYS NZ :NH3+ 151:sc= 1.15 (180deg=-0.0974) USER MOD Single : B 50 LYS NZ :NH3+ 146:sc= -2.06 (180deg=-3.86!) USER MOD Single : B 58 LYS NZ :NH3+ -157:sc= 1.48 (180deg=0.493) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 8.559 -17.812 5.576 1.00 0.00 N ATOM 2 CA VAL A 1 8.087 -16.817 4.568 1.00 0.00 C ATOM 3 C VAL A 1 6.879 -16.064 5.130 1.00 0.00 C ATOM 4 O VAL A 1 5.882 -15.847 4.436 1.00 0.00 O ATOM 5 CB VAL A 1 7.722 -17.542 3.254 1.00 0.00 C ATOM 6 CG1 VAL A 1 9.000 -18.022 2.555 1.00 0.00 C ATOM 7 CG2 VAL A 1 6.816 -18.751 3.546 1.00 0.00 C ATOM 0 H1 VAL A 1 9.001 -18.617 5.088 1.00 0.00 H new ATOM 0 H2 VAL A 1 9.255 -17.365 6.206 1.00 0.00 H new ATOM 0 H3 VAL A 1 7.750 -18.148 6.137 1.00 0.00 H new ATOM 0 HA VAL A 1 8.879 -16.099 4.354 1.00 0.00 H new ATOM 0 HB VAL A 1 7.190 -16.845 2.607 1.00 0.00 H new ATOM 0 HG11 VAL A 1 8.738 -18.533 1.628 1.00 0.00 H new ATOM 0 HG12 VAL A 1 9.635 -17.165 2.330 1.00 0.00 H new ATOM 0 HG13 VAL A 1 9.536 -18.709 3.209 1.00 0.00 H new ATOM 0 HG21 VAL A 1 6.566 -19.253 2.611 1.00 0.00 H new ATOM 0 HG22 VAL A 1 7.338 -19.447 4.203 1.00 0.00 H new ATOM 0 HG23 VAL A 1 5.901 -18.411 4.031 1.00 0.00 H new ATOM 19 N ASP A 2 6.984 -15.666 6.400 1.00 0.00 N ATOM 20 CA ASP A 2 5.910 -14.933 7.073 1.00 0.00 C ATOM 21 C ASP A 2 5.583 -13.643 6.324 1.00 0.00 C ATOM 22 O ASP A 2 4.419 -13.247 6.233 1.00 0.00 O ATOM 23 CB ASP A 2 6.333 -14.603 8.509 1.00 0.00 C ATOM 24 CG ASP A 2 6.639 -15.892 9.270 1.00 0.00 C ATOM 25 OD1 ASP A 2 5.699 -16.542 9.700 1.00 0.00 O ATOM 26 OD2 ASP A 2 7.808 -16.214 9.407 1.00 0.00 O ATOM 0 H ASP A 2 7.803 -15.839 6.983 1.00 0.00 H new ATOM 0 HA ASP A 2 5.019 -15.560 7.088 1.00 0.00 H new ATOM 0 HB2 ASP A 2 7.212 -13.959 8.499 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.539 -14.052 9.014 1.00 0.00 H new ATOM 31 N ASN A 3 6.625 -12.998 5.786 1.00 0.00 N ATOM 32 CA ASN A 3 6.463 -11.751 5.033 1.00 0.00 C ATOM 33 C ASN A 3 5.761 -10.691 5.894 1.00 0.00 C ATOM 34 O ASN A 3 4.936 -9.914 5.404 1.00 0.00 O ATOM 35 CB ASN A 3 5.670 -12.030 3.734 1.00 0.00 C ATOM 36 CG ASN A 3 6.518 -11.720 2.503 1.00 0.00 C ATOM 37 OD1 ASN A 3 6.033 -11.107 1.553 1.00 0.00 O ATOM 38 ND2 ASN A 3 7.761 -12.117 2.454 1.00 0.00 N ATOM 0 H ASN A 3 7.590 -13.320 5.859 1.00 0.00 H new ATOM 0 HA ASN A 3 7.445 -11.362 4.764 1.00 0.00 H new ATOM 0 HB2 ASN A 3 5.356 -13.074 3.711 1.00 0.00 H new ATOM 0 HB3 ASN A 3 4.764 -11.424 3.719 1.00 0.00 H new ATOM 0 HD21 ASN A 3 8.328 -11.919 1.629 1.00 0.00 H new ATOM 0 HD22 ASN A 3 8.165 -12.625 3.240 1.00 0.00 H new ATOM 45 N LYS A 4 6.105 -10.667 7.185 1.00 0.00 N ATOM 46 CA LYS A 4 5.517 -9.711 8.119 1.00 0.00 C ATOM 47 C LYS A 4 5.781 -8.278 7.658 1.00 0.00 C ATOM 48 O LYS A 4 4.882 -7.439 7.683 1.00 0.00 O ATOM 49 CB LYS A 4 6.123 -9.924 9.512 1.00 0.00 C ATOM 50 CG LYS A 4 5.478 -8.967 10.533 1.00 0.00 C ATOM 51 CD LYS A 4 6.571 -8.323 11.399 1.00 0.00 C ATOM 52 CE LYS A 4 7.201 -7.127 10.665 1.00 0.00 C ATOM 53 NZ LYS A 4 6.158 -6.100 10.378 1.00 0.00 N ATOM 0 H LYS A 4 6.787 -11.299 7.604 1.00 0.00 H new ATOM 0 HA LYS A 4 4.439 -9.871 8.156 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.972 -10.957 9.827 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.199 -9.756 9.476 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.909 -8.195 10.014 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.775 -9.512 11.163 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.146 -7.993 12.347 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.339 -9.060 11.634 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.994 -6.692 11.274 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.660 -7.461 9.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.463 -5.180 10.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.020 -6.024 9.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.263 -6.379 10.828 1.00 0.00 H new ATOM 67 N PHE A 5 7.020 -8.010 7.242 1.00 0.00 N ATOM 68 CA PHE A 5 7.393 -6.680 6.783 1.00 0.00 C ATOM 69 C PHE A 5 6.587 -6.303 5.539 1.00 0.00 C ATOM 70 O PHE A 5 6.140 -5.170 5.417 1.00 0.00 O ATOM 71 CB PHE A 5 8.909 -6.606 6.508 1.00 0.00 C ATOM 72 CG PHE A 5 9.228 -7.021 5.084 1.00 0.00 C ATOM 73 CD1 PHE A 5 9.332 -8.378 4.751 1.00 0.00 C ATOM 74 CD2 PHE A 5 9.416 -6.041 4.097 1.00 0.00 C ATOM 75 CE1 PHE A 5 9.624 -8.754 3.434 1.00 0.00 C ATOM 76 CE2 PHE A 5 9.707 -6.419 2.783 1.00 0.00 C ATOM 77 CZ PHE A 5 9.812 -7.775 2.451 1.00 0.00 C ATOM 0 H PHE A 5 7.775 -8.695 7.215 1.00 0.00 H new ATOM 0 HA PHE A 5 7.161 -5.961 7.569 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.264 -5.590 6.682 1.00 0.00 H new ATOM 0 HB3 PHE A 5 9.440 -7.253 7.206 1.00 0.00 H new ATOM 0 HD1 PHE A 5 9.187 -9.133 5.509 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.336 -4.995 4.353 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.704 -9.800 3.176 1.00 0.00 H new ATOM 0 HE2 PHE A 5 9.851 -5.665 2.024 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.038 -8.066 1.436 1.00 0.00 H new ATOM 87 N ASN A 6 6.403 -7.267 4.629 1.00 0.00 N ATOM 88 CA ASN A 6 5.638 -7.028 3.412 1.00 0.00 C ATOM 89 C ASN A 6 4.183 -6.774 3.749 1.00 0.00 C ATOM 90 O ASN A 6 3.564 -5.848 3.223 1.00 0.00 O ATOM 91 CB ASN A 6 5.713 -8.251 2.508 1.00 0.00 C ATOM 92 CG ASN A 6 4.981 -7.997 1.200 1.00 0.00 C ATOM 93 OD1 ASN A 6 4.912 -6.866 0.736 1.00 0.00 O ATOM 94 ND2 ASN A 6 4.410 -8.993 0.590 1.00 0.00 N ATOM 0 H ASN A 6 6.774 -8.213 4.717 1.00 0.00 H new ATOM 0 HA ASN A 6 6.058 -6.158 2.907 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.756 -8.497 2.306 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.275 -9.111 3.014 1.00 0.00 H new ATOM 0 HD21 ASN A 6 3.901 -8.834 -0.280 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.471 -9.933 0.981 1.00 0.00 H new ATOM 101 N LYS A 7 3.650 -7.604 4.640 1.00 0.00 N ATOM 102 CA LYS A 7 2.275 -7.467 5.057 1.00 0.00 C ATOM 103 C LYS A 7 2.126 -6.118 5.728 1.00 0.00 C ATOM 104 O LYS A 7 1.169 -5.404 5.491 1.00 0.00 O ATOM 105 CB LYS A 7 1.896 -8.604 6.019 1.00 0.00 C ATOM 106 CG LYS A 7 0.372 -8.661 6.186 1.00 0.00 C ATOM 107 CD LYS A 7 -0.036 -9.961 6.893 1.00 0.00 C ATOM 108 CE LYS A 7 -0.525 -10.979 5.857 1.00 0.00 C ATOM 109 NZ LYS A 7 -0.975 -12.217 6.549 1.00 0.00 N ATOM 0 H LYS A 7 4.154 -8.373 5.081 1.00 0.00 H new ATOM 0 HA LYS A 7 1.606 -7.529 4.198 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.264 -9.555 5.635 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.371 -8.446 6.987 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.030 -7.802 6.763 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.110 -8.602 5.210 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.811 -10.368 7.445 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.823 -9.760 7.620 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.345 -10.557 5.276 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.276 -11.213 5.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.603 -12.757 5.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.148 -12.798 6.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.489 -11.962 7.416 1.00 0.00 H new ATOM 123 N GLU A 8 3.115 -5.767 6.542 1.00 0.00 N ATOM 124 CA GLU A 8 3.109 -4.486 7.230 1.00 0.00 C ATOM 125 C GLU A 8 3.326 -3.342 6.242 1.00 0.00 C ATOM 126 O GLU A 8 2.702 -2.295 6.351 1.00 0.00 O ATOM 127 CB GLU A 8 4.181 -4.481 8.323 1.00 0.00 C ATOM 128 CG GLU A 8 4.173 -3.149 9.088 1.00 0.00 C ATOM 129 CD GLU A 8 5.364 -3.090 10.045 1.00 0.00 C ATOM 130 OE1 GLU A 8 6.486 -3.027 9.565 1.00 0.00 O ATOM 131 OE2 GLU A 8 5.140 -3.116 11.244 1.00 0.00 O ATOM 0 H GLU A 8 3.928 -6.351 6.740 1.00 0.00 H new ATOM 0 HA GLU A 8 2.135 -4.338 7.697 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.005 -5.304 9.015 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.162 -4.644 7.877 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.218 -2.316 8.386 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.242 -3.046 9.646 1.00 0.00 H new ATOM 138 N LEU A 9 4.183 -3.580 5.262 1.00 0.00 N ATOM 139 CA LEU A 9 4.454 -2.598 4.210 1.00 0.00 C ATOM 140 C LEU A 9 3.150 -2.310 3.489 1.00 0.00 C ATOM 141 O LEU A 9 2.815 -1.159 3.218 1.00 0.00 O ATOM 142 CB LEU A 9 5.514 -3.171 3.252 1.00 0.00 C ATOM 143 CG LEU A 9 5.707 -2.259 2.032 1.00 0.00 C ATOM 144 CD1 LEU A 9 6.564 -1.037 2.361 1.00 0.00 C ATOM 145 CD2 LEU A 9 6.397 -3.041 0.933 1.00 0.00 C ATOM 0 H LEU A 9 4.709 -4.449 5.168 1.00 0.00 H new ATOM 0 HA LEU A 9 4.842 -1.667 4.624 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.462 -3.284 3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.212 -4.165 2.923 1.00 0.00 H new ATOM 0 HG LEU A 9 4.722 -1.915 1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.675 -0.420 1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.082 -0.456 3.147 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.547 -1.363 2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.537 -2.399 0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.367 -3.389 1.288 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.783 -3.898 0.656 1.00 0.00 H new ATOM 157 N GLY A 10 2.390 -3.365 3.233 1.00 0.00 N ATOM 158 CA GLY A 10 1.112 -3.220 2.603 1.00 0.00 C ATOM 159 C GLY A 10 0.105 -2.682 3.596 1.00 0.00 C ATOM 160 O GLY A 10 -0.699 -1.811 3.283 1.00 0.00 O ATOM 0 H GLY A 10 2.648 -4.326 3.457 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.192 -2.545 1.751 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.776 -4.182 2.217 1.00 0.00 H new ATOM 164 N TRP A 11 0.126 -3.226 4.804 1.00 0.00 N ATOM 165 CA TRP A 11 -0.833 -2.797 5.790 1.00 0.00 C ATOM 166 C TRP A 11 -0.664 -1.358 6.163 1.00 0.00 C ATOM 167 O TRP A 11 -1.636 -0.605 6.174 1.00 0.00 O ATOM 168 CB TRP A 11 -0.826 -3.661 7.038 1.00 0.00 C ATOM 169 CG TRP A 11 -2.240 -3.761 7.539 1.00 0.00 C ATOM 170 CD1 TRP A 11 -2.576 -3.798 8.834 1.00 0.00 C ATOM 171 CD2 TRP A 11 -3.513 -3.803 6.783 1.00 0.00 C ATOM 172 NE1 TRP A 11 -3.952 -3.904 8.936 1.00 0.00 N ATOM 173 CE2 TRP A 11 -4.569 -3.895 7.706 1.00 0.00 C ATOM 174 CE3 TRP A 11 -3.852 -3.780 5.404 1.00 0.00 C ATOM 175 CZ2 TRP A 11 -5.904 -3.957 7.294 1.00 0.00 C ATOM 176 CZ3 TRP A 11 -5.180 -3.839 4.988 1.00 0.00 C ATOM 177 CH2 TRP A 11 -6.211 -3.925 5.929 1.00 0.00 C ATOM 0 H TRP A 11 0.780 -3.945 5.112 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.804 -2.915 5.310 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.430 -4.651 6.814 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.181 -3.224 7.801 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -1.886 -3.753 9.664 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.452 -3.980 9.822 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -3.067 -3.716 4.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.695 -4.029 8.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.415 -3.818 3.934 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.240 -3.967 5.604 1.00 0.00 H new ATOM 188 N ALA A 12 0.556 -0.967 6.450 1.00 0.00 N ATOM 189 CA ALA A 12 0.801 0.399 6.801 1.00 0.00 C ATOM 190 C ALA A 12 0.357 1.277 5.633 1.00 0.00 C ATOM 191 O ALA A 12 -0.274 2.306 5.832 1.00 0.00 O ATOM 192 CB ALA A 12 2.278 0.607 7.113 1.00 0.00 C ATOM 0 H ALA A 12 1.378 -1.570 6.446 1.00 0.00 H new ATOM 0 HA ALA A 12 0.238 0.668 7.695 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.450 1.650 7.378 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.567 -0.032 7.947 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.874 0.352 6.237 1.00 0.00 H new ATOM 198 N THR A 13 0.635 0.809 4.406 1.00 0.00 N ATOM 199 CA THR A 13 0.208 1.518 3.207 1.00 0.00 C ATOM 200 C THR A 13 -1.294 1.722 3.255 1.00 0.00 C ATOM 201 O THR A 13 -1.780 2.820 3.014 1.00 0.00 O ATOM 202 CB THR A 13 0.593 0.681 1.976 1.00 0.00 C ATOM 203 OG1 THR A 13 1.823 1.156 1.479 1.00 0.00 O ATOM 204 CG2 THR A 13 -0.471 0.777 0.877 1.00 0.00 C ATOM 0 H THR A 13 1.151 -0.053 4.227 1.00 0.00 H new ATOM 0 HA THR A 13 0.694 2.492 3.148 1.00 0.00 H new ATOM 0 HB THR A 13 0.672 -0.364 2.274 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.785 1.200 0.501 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.166 0.173 0.022 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.423 0.410 1.260 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.581 1.816 0.567 1.00 0.00 H new ATOM 212 N TRP A 14 -2.003 0.644 3.573 1.00 0.00 N ATOM 213 CA TRP A 14 -3.455 0.658 3.655 1.00 0.00 C ATOM 214 C TRP A 14 -3.955 1.553 4.776 1.00 0.00 C ATOM 215 O TRP A 14 -4.879 2.330 4.586 1.00 0.00 O ATOM 216 CB TRP A 14 -3.930 -0.758 3.918 1.00 0.00 C ATOM 217 CG TRP A 14 -5.379 -0.885 3.598 1.00 0.00 C ATOM 218 CD1 TRP A 14 -6.370 -0.966 4.514 1.00 0.00 C ATOM 219 CD2 TRP A 14 -6.015 -0.955 2.295 1.00 0.00 C ATOM 220 NE1 TRP A 14 -7.572 -1.114 3.856 1.00 0.00 N ATOM 221 CE2 TRP A 14 -7.405 -1.113 2.491 1.00 0.00 C ATOM 222 CE3 TRP A 14 -5.533 -0.912 0.968 1.00 0.00 C ATOM 223 CZ2 TRP A 14 -8.274 -1.228 1.420 1.00 0.00 C ATOM 224 CZ3 TRP A 14 -6.407 -1.027 -0.096 1.00 0.00 C ATOM 225 CH2 TRP A 14 -7.765 -1.187 0.127 1.00 0.00 C ATOM 0 H TRP A 14 -1.585 -0.263 3.781 1.00 0.00 H new ATOM 0 HA TRP A 14 -3.846 1.047 2.715 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.354 -1.460 3.314 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -3.757 -1.019 4.962 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.241 -0.922 5.585 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.473 -1.212 4.323 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -4.476 -0.789 0.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -9.334 -1.348 1.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -6.029 -0.992 -1.107 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -8.436 -1.281 -0.714 1.00 0.00 H new ATOM 236 N GLU A 15 -3.343 1.428 5.944 1.00 0.00 N ATOM 237 CA GLU A 15 -3.745 2.224 7.095 1.00 0.00 C ATOM 238 C GLU A 15 -3.553 3.708 6.784 1.00 0.00 C ATOM 239 O GLU A 15 -4.405 4.536 7.113 1.00 0.00 O ATOM 240 CB GLU A 15 -2.930 1.782 8.312 1.00 0.00 C ATOM 241 CG GLU A 15 -3.310 0.332 8.674 1.00 0.00 C ATOM 242 CD GLU A 15 -2.307 -0.244 9.672 1.00 0.00 C ATOM 243 OE1 GLU A 15 -2.512 -0.062 10.861 1.00 0.00 O ATOM 244 OE2 GLU A 15 -1.350 -0.860 9.229 1.00 0.00 O ATOM 0 H GLU A 15 -2.570 0.786 6.120 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.801 2.071 7.319 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.864 1.848 8.095 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.125 2.444 9.156 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.313 0.307 9.100 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.331 -0.282 7.773 1.00 0.00 H new ATOM 251 N ILE A 16 -2.461 4.018 6.082 1.00 0.00 N ATOM 252 CA ILE A 16 -2.181 5.388 5.646 1.00 0.00 C ATOM 253 C ILE A 16 -3.205 5.761 4.558 1.00 0.00 C ATOM 254 O ILE A 16 -3.681 6.894 4.485 1.00 0.00 O ATOM 255 CB ILE A 16 -0.740 5.456 5.074 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.288 5.129 6.173 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.432 6.852 4.512 1.00 0.00 C ATOM 258 CD1 ILE A 16 1.671 4.877 5.547 1.00 0.00 C ATOM 0 H ILE A 16 -1.755 3.337 5.803 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.259 6.085 6.480 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.672 4.723 4.270 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.347 5.954 6.883 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.033 4.249 6.731 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.584 6.870 4.118 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.135 7.086 3.712 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.526 7.593 5.306 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.390 4.647 6.333 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.609 4.038 4.855 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.995 5.768 5.009 1.00 0.00 H new ATOM 270 N PHE A 17 -3.537 4.758 3.735 1.00 0.00 N ATOM 271 CA PHE A 17 -4.511 4.893 2.643 1.00 0.00 C ATOM 272 C PHE A 17 -5.904 5.168 3.215 1.00 0.00 C ATOM 273 O PHE A 17 -6.691 5.924 2.644 1.00 0.00 O ATOM 274 CB PHE A 17 -4.555 3.563 1.868 1.00 0.00 C ATOM 275 CG PHE A 17 -4.765 3.757 0.384 1.00 0.00 C ATOM 276 CD1 PHE A 17 -3.671 4.019 -0.456 1.00 0.00 C ATOM 277 CD2 PHE A 17 -6.042 3.608 -0.160 1.00 0.00 C ATOM 278 CE1 PHE A 17 -3.858 4.129 -1.836 1.00 0.00 C ATOM 279 CE2 PHE A 17 -6.235 3.728 -1.538 1.00 0.00 C ATOM 280 CZ PHE A 17 -5.142 3.984 -2.376 1.00 0.00 C ATOM 0 H PHE A 17 -3.135 3.824 3.808 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.218 5.717 1.992 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.623 3.022 2.031 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.358 2.942 2.266 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.683 4.136 -0.035 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.882 3.400 0.486 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.016 4.325 -2.484 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.225 3.624 -1.957 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.290 4.070 -3.442 1.00 0.00 H new ATOM 290 N ASN A 18 -6.196 4.498 4.333 1.00 0.00 N ATOM 291 CA ASN A 18 -7.493 4.598 4.999 1.00 0.00 C ATOM 292 C ASN A 18 -7.543 5.726 6.034 1.00 0.00 C ATOM 293 O ASN A 18 -8.566 5.883 6.707 1.00 0.00 O ATOM 294 CB ASN A 18 -7.811 3.264 5.698 1.00 0.00 C ATOM 295 CG ASN A 18 -8.117 2.169 4.675 1.00 0.00 C ATOM 296 OD1 ASN A 18 -9.160 1.522 4.754 1.00 0.00 O ATOM 297 ND2 ASN A 18 -7.269 1.916 3.720 1.00 0.00 N ATOM 0 H ASN A 18 -5.539 3.872 4.800 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.232 4.824 4.230 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.966 2.963 6.317 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.664 3.393 6.364 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -7.471 1.183 3.040 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.403 2.451 3.652 1.00 0.00 H new ATOM 304 N LEU A 19 -6.470 6.520 6.172 1.00 0.00 N ATOM 305 CA LEU A 19 -6.503 7.605 7.149 1.00 0.00 C ATOM 306 C LEU A 19 -7.493 8.670 6.675 1.00 0.00 C ATOM 307 O LEU A 19 -7.484 9.040 5.499 1.00 0.00 O ATOM 308 CB LEU A 19 -5.116 8.217 7.369 1.00 0.00 C ATOM 309 CG LEU A 19 -4.449 7.592 8.610 1.00 0.00 C ATOM 310 CD1 LEU A 19 -3.096 8.227 8.806 1.00 0.00 C ATOM 311 CD2 LEU A 19 -5.259 7.852 9.885 1.00 0.00 C ATOM 0 H LEU A 19 -5.604 6.434 5.640 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.825 7.200 8.108 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.493 8.050 6.490 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.203 9.296 7.498 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.380 6.517 8.441 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.614 7.793 9.682 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.479 8.048 7.926 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.216 9.300 8.953 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.754 7.395 10.736 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.345 8.926 10.048 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.254 7.420 9.778 1.00 0.00 H new ATOM 323 N PRO A 20 -8.377 9.130 7.535 1.00 0.00 N ATOM 324 CA PRO A 20 -9.428 10.121 7.164 1.00 0.00 C ATOM 325 C PRO A 20 -8.972 11.583 7.115 1.00 0.00 C ATOM 326 O PRO A 20 -9.832 12.469 7.139 1.00 0.00 O ATOM 327 CB PRO A 20 -10.494 9.935 8.268 1.00 0.00 C ATOM 328 CG PRO A 20 -9.997 8.859 9.176 1.00 0.00 C ATOM 329 CD PRO A 20 -8.501 8.784 8.957 1.00 0.00 C ATOM 0 HA PRO A 20 -9.770 9.936 6.146 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.646 10.864 8.818 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.455 9.660 7.834 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.228 9.089 10.216 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.473 7.905 8.947 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.961 9.484 9.595 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.108 7.790 9.170 1.00 0.00 H new ATOM 337 N ASN A 21 -7.658 11.873 7.063 1.00 0.00 N ATOM 338 CA ASN A 21 -7.256 13.296 7.042 1.00 0.00 C ATOM 339 C ASN A 21 -6.031 13.577 6.176 1.00 0.00 C ATOM 340 O ASN A 21 -5.664 14.740 5.993 1.00 0.00 O ATOM 341 CB ASN A 21 -7.007 13.787 8.471 1.00 0.00 C ATOM 342 CG ASN A 21 -8.287 13.686 9.293 1.00 0.00 C ATOM 343 OD1 ASN A 21 -9.118 14.592 9.265 1.00 0.00 O ATOM 344 ND2 ASN A 21 -8.503 12.624 10.018 1.00 0.00 N ATOM 0 H ASN A 21 -6.899 11.193 7.036 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.083 13.842 6.589 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.220 13.193 8.936 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.658 14.820 8.453 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.362 12.544 10.562 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.813 11.873 10.041 1.00 0.00 H new ATOM 351 N LEU A 22 -5.413 12.539 5.635 1.00 0.00 N ATOM 352 CA LEU A 22 -4.240 12.732 4.780 1.00 0.00 C ATOM 353 C LEU A 22 -4.657 13.107 3.369 1.00 0.00 C ATOM 354 O LEU A 22 -5.725 12.703 2.903 1.00 0.00 O ATOM 355 CB LEU A 22 -3.409 11.457 4.722 1.00 0.00 C ATOM 356 CG LEU A 22 -2.957 11.057 6.126 1.00 0.00 C ATOM 357 CD1 LEU A 22 -2.148 9.774 6.037 1.00 0.00 C ATOM 358 CD2 LEU A 22 -2.077 12.147 6.732 1.00 0.00 C ATOM 0 H LEU A 22 -5.694 11.567 5.766 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.647 13.540 5.209 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.995 10.652 4.278 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.540 11.609 4.082 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.837 10.915 6.754 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.821 9.480 7.034 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.765 8.984 5.610 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.277 9.937 5.403 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.763 11.847 7.732 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.198 12.295 6.105 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.641 13.078 6.793 1.00 0.00 H new ATOM 370 N ASN A 23 -3.792 13.857 2.677 1.00 0.00 N ATOM 371 CA ASN A 23 -4.079 14.246 1.302 1.00 0.00 C ATOM 372 C ASN A 23 -3.367 13.285 0.360 1.00 0.00 C ATOM 373 O ASN A 23 -2.482 12.534 0.782 1.00 0.00 O ATOM 374 CB ASN A 23 -3.665 15.707 1.038 1.00 0.00 C ATOM 375 CG ASN A 23 -2.147 15.873 1.001 1.00 0.00 C ATOM 376 OD1 ASN A 23 -1.420 15.141 1.658 1.00 0.00 O ATOM 377 ND2 ASN A 23 -1.625 16.812 0.262 1.00 0.00 N ATOM 0 H ASN A 23 -2.904 14.199 3.043 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.153 14.189 1.125 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.089 16.039 0.090 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.081 16.348 1.815 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.613 16.935 0.233 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.229 17.424 -0.287 1.00 0.00 H new ATOM 384 N GLY A 24 -3.774 13.291 -0.905 1.00 0.00 N ATOM 385 CA GLY A 24 -3.193 12.393 -1.901 1.00 0.00 C ATOM 386 C GLY A 24 -1.666 12.392 -1.862 1.00 0.00 C ATOM 387 O GLY A 24 -1.046 11.362 -2.109 1.00 0.00 O ATOM 0 H GLY A 24 -4.503 13.906 -1.266 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.559 11.380 -1.731 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.528 12.691 -2.894 1.00 0.00 H new ATOM 391 N VAL A 25 -1.069 13.545 -1.561 1.00 0.00 N ATOM 392 CA VAL A 25 0.389 13.656 -1.514 1.00 0.00 C ATOM 393 C VAL A 25 0.985 13.005 -0.270 1.00 0.00 C ATOM 394 O VAL A 25 1.934 12.234 -0.387 1.00 0.00 O ATOM 395 CB VAL A 25 0.802 15.124 -1.598 1.00 0.00 C ATOM 396 CG1 VAL A 25 2.325 15.244 -1.453 1.00 0.00 C ATOM 397 CG2 VAL A 25 0.378 15.669 -2.967 1.00 0.00 C ATOM 0 H VAL A 25 -1.567 14.409 -1.348 1.00 0.00 H new ATOM 0 HA VAL A 25 0.785 13.115 -2.374 1.00 0.00 H new ATOM 0 HB VAL A 25 0.323 15.691 -0.799 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.615 16.293 -1.514 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.632 14.838 -0.489 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.812 14.686 -2.253 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.665 16.718 -3.046 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.870 15.098 -3.754 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.703 15.579 -3.075 1.00 0.00 H new ATOM 407 N GLN A 26 0.453 13.315 0.919 1.00 0.00 N ATOM 408 CA GLN A 26 0.997 12.730 2.138 1.00 0.00 C ATOM 409 C GLN A 26 0.874 11.219 2.110 1.00 0.00 C ATOM 410 O GLN A 26 1.828 10.516 2.434 1.00 0.00 O ATOM 411 CB GLN A 26 0.311 13.311 3.371 1.00 0.00 C ATOM 412 CG GLN A 26 1.108 14.538 3.847 1.00 0.00 C ATOM 413 CD GLN A 26 0.162 15.604 4.359 1.00 0.00 C ATOM 414 OE1 GLN A 26 -0.057 16.623 3.705 1.00 0.00 O ATOM 415 NE2 GLN A 26 -0.416 15.419 5.495 1.00 0.00 N ATOM 0 H GLN A 26 -0.333 13.951 1.056 1.00 0.00 H new ATOM 0 HA GLN A 26 2.056 12.981 2.193 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.714 13.595 3.134 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.260 12.563 4.163 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.802 14.247 4.635 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.706 14.934 3.026 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.229 14.571 6.030 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.061 16.120 5.859 1.00 0.00 H new ATOM 424 N VAL A 27 -0.282 10.719 1.677 1.00 0.00 N ATOM 425 CA VAL A 27 -0.474 9.273 1.584 1.00 0.00 C ATOM 426 C VAL A 27 0.534 8.707 0.588 1.00 0.00 C ATOM 427 O VAL A 27 1.208 7.716 0.864 1.00 0.00 O ATOM 428 CB VAL A 27 -1.904 8.937 1.131 1.00 0.00 C ATOM 429 CG1 VAL A 27 -2.081 7.415 1.082 1.00 0.00 C ATOM 430 CG2 VAL A 27 -2.917 9.525 2.121 1.00 0.00 C ATOM 0 H VAL A 27 -1.084 11.280 1.390 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.320 8.828 2.567 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.072 9.363 0.142 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.095 7.177 0.761 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.367 6.988 0.377 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.907 6.996 2.073 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.928 9.283 1.794 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.745 9.103 3.111 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.799 10.608 2.163 1.00 0.00 H new ATOM 440 N LYS A 28 0.642 9.382 -0.554 1.00 0.00 N ATOM 441 CA LYS A 28 1.582 8.997 -1.603 1.00 0.00 C ATOM 442 C LYS A 28 3.014 9.046 -1.075 1.00 0.00 C ATOM 443 O LYS A 28 3.853 8.235 -1.462 1.00 0.00 O ATOM 444 CB LYS A 28 1.423 9.947 -2.810 1.00 0.00 C ATOM 445 CG LYS A 28 2.290 9.488 -3.990 1.00 0.00 C ATOM 446 CD LYS A 28 2.247 10.556 -5.092 1.00 0.00 C ATOM 447 CE LYS A 28 3.053 10.086 -6.308 1.00 0.00 C ATOM 448 NZ LYS A 28 2.815 11.013 -7.450 1.00 0.00 N ATOM 0 H LYS A 28 0.084 10.206 -0.777 1.00 0.00 H new ATOM 0 HA LYS A 28 1.368 7.976 -1.920 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.377 9.982 -3.115 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.704 10.959 -2.520 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.317 9.328 -3.662 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.926 8.535 -4.375 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.214 10.750 -5.382 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.654 11.495 -4.716 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.115 10.057 -6.065 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.761 9.072 -6.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.919 10.494 -8.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.853 11.404 -7.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.507 11.789 -7.417 1.00 0.00 H new ATOM 462 N ALA A 29 3.278 10.012 -0.194 1.00 0.00 N ATOM 463 CA ALA A 29 4.599 10.186 0.388 1.00 0.00 C ATOM 464 C ALA A 29 4.914 9.075 1.352 1.00 0.00 C ATOM 465 O ALA A 29 6.015 8.529 1.345 1.00 0.00 O ATOM 466 CB ALA A 29 4.664 11.501 1.139 1.00 0.00 C ATOM 0 H ALA A 29 2.586 10.687 0.130 1.00 0.00 H new ATOM 0 HA ALA A 29 5.324 10.176 -0.426 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.657 11.624 1.572 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.464 12.323 0.452 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.918 11.503 1.934 1.00 0.00 H new ATOM 472 N PHE A 30 3.932 8.738 2.175 1.00 0.00 N ATOM 473 CA PHE A 30 4.103 7.687 3.127 1.00 0.00 C ATOM 474 C PHE A 30 4.313 6.401 2.362 1.00 0.00 C ATOM 475 O PHE A 30 5.171 5.593 2.719 1.00 0.00 O ATOM 476 CB PHE A 30 2.888 7.601 4.050 1.00 0.00 C ATOM 477 CG PHE A 30 2.748 8.885 4.854 1.00 0.00 C ATOM 478 CD1 PHE A 30 3.859 9.421 5.533 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.507 9.547 4.926 1.00 0.00 C ATOM 480 CE1 PHE A 30 3.725 10.598 6.263 1.00 0.00 C ATOM 481 CE2 PHE A 30 1.387 10.723 5.661 1.00 0.00 C ATOM 482 CZ PHE A 30 2.493 11.246 6.324 1.00 0.00 C ATOM 0 H PHE A 30 3.015 9.185 2.191 1.00 0.00 H new ATOM 0 HA PHE A 30 4.968 7.878 3.762 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.986 7.431 3.462 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.993 6.751 4.724 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.814 8.919 5.487 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.648 9.142 4.411 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.577 11.010 6.783 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.435 11.230 5.717 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.396 12.161 6.890 1.00 0.00 H new ATOM 492 N ILE A 31 3.566 6.253 1.260 1.00 0.00 N ATOM 493 CA ILE A 31 3.723 5.092 0.413 1.00 0.00 C ATOM 494 C ILE A 31 5.097 5.121 -0.223 1.00 0.00 C ATOM 495 O ILE A 31 5.779 4.113 -0.265 1.00 0.00 O ATOM 496 CB ILE A 31 2.627 5.032 -0.669 1.00 0.00 C ATOM 497 CG1 ILE A 31 1.286 4.693 0.004 1.00 0.00 C ATOM 498 CG2 ILE A 31 2.957 3.961 -1.743 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.167 4.703 -1.033 1.00 0.00 C ATOM 0 H ILE A 31 2.860 6.919 0.948 1.00 0.00 H new ATOM 0 HA ILE A 31 3.623 4.196 1.026 1.00 0.00 H new ATOM 0 HB ILE A 31 2.569 6.000 -1.166 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.345 3.714 0.479 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.071 5.416 0.791 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.166 3.942 -2.493 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.905 4.206 -2.222 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.032 2.982 -1.270 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.780 4.462 -0.549 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.101 5.692 -1.488 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.379 3.963 -1.804 1.00 0.00 H new ATOM 511 N ASP A 32 5.494 6.291 -0.699 1.00 0.00 N ATOM 512 CA ASP A 32 6.799 6.444 -1.332 1.00 0.00 C ATOM 513 C ASP A 32 7.909 6.073 -0.357 1.00 0.00 C ATOM 514 O ASP A 32 8.860 5.369 -0.706 1.00 0.00 O ATOM 515 CB ASP A 32 6.985 7.887 -1.819 1.00 0.00 C ATOM 516 CG ASP A 32 8.294 8.015 -2.598 1.00 0.00 C ATOM 517 OD1 ASP A 32 8.282 7.756 -3.790 1.00 0.00 O ATOM 518 OD2 ASP A 32 9.290 8.369 -1.989 1.00 0.00 O ATOM 0 H ASP A 32 4.937 7.145 -0.661 1.00 0.00 H new ATOM 0 HA ASP A 32 6.850 5.773 -2.190 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.146 8.176 -2.452 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.991 8.568 -0.968 1.00 0.00 H new ATOM 523 N SER A 33 7.746 6.536 0.869 1.00 0.00 N ATOM 524 CA SER A 33 8.693 6.255 1.941 1.00 0.00 C ATOM 525 C SER A 33 8.677 4.760 2.258 1.00 0.00 C ATOM 526 O SER A 33 9.713 4.151 2.516 1.00 0.00 O ATOM 527 CB SER A 33 8.309 7.069 3.174 1.00 0.00 C ATOM 528 OG SER A 33 8.399 8.455 2.868 1.00 0.00 O ATOM 0 H SER A 33 6.957 7.116 1.153 1.00 0.00 H new ATOM 0 HA SER A 33 9.700 6.534 1.632 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.296 6.819 3.488 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.970 6.825 4.006 1.00 0.00 H new ATOM 0 HG SER A 33 7.626 8.722 2.328 1.00 0.00 H new ATOM 534 N LEU A 34 7.477 4.188 2.193 1.00 0.00 N ATOM 535 CA LEU A 34 7.254 2.758 2.419 1.00 0.00 C ATOM 536 C LEU A 34 8.068 1.944 1.414 1.00 0.00 C ATOM 537 O LEU A 34 8.829 1.056 1.791 1.00 0.00 O ATOM 538 CB LEU A 34 5.760 2.494 2.212 1.00 0.00 C ATOM 539 CG LEU A 34 5.010 2.359 3.534 1.00 0.00 C ATOM 540 CD1 LEU A 34 3.678 3.107 3.473 1.00 0.00 C ATOM 541 CD2 LEU A 34 4.717 0.896 3.770 1.00 0.00 C ATOM 0 H LEU A 34 6.624 4.706 1.981 1.00 0.00 H new ATOM 0 HA LEU A 34 7.563 2.470 3.424 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.326 3.308 1.631 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.631 1.582 1.628 1.00 0.00 H new ATOM 0 HG LEU A 34 5.622 2.776 4.334 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.157 3.000 4.424 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.863 4.163 3.277 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.064 2.692 2.674 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.181 0.780 4.712 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.105 0.511 2.954 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.653 0.340 3.815 1.00 0.00 H new ATOM 553 N ARG A 35 7.901 2.271 0.134 1.00 0.00 N ATOM 554 CA ARG A 35 8.639 1.572 -0.939 1.00 0.00 C ATOM 555 C ARG A 35 10.147 1.731 -0.728 1.00 0.00 C ATOM 556 O ARG A 35 10.909 0.769 -0.835 1.00 0.00 O ATOM 557 CB ARG A 35 8.312 2.132 -2.343 1.00 0.00 C ATOM 558 CG ARG A 35 7.017 2.944 -2.333 1.00 0.00 C ATOM 559 CD ARG A 35 6.528 3.234 -3.757 1.00 0.00 C ATOM 560 NE ARG A 35 5.764 2.107 -4.267 1.00 0.00 N ATOM 561 CZ ARG A 35 6.352 1.121 -4.919 1.00 0.00 C ATOM 562 NH1 ARG A 35 6.630 1.245 -6.181 1.00 0.00 N ATOM 563 NH2 ARG A 35 6.657 0.038 -4.286 1.00 0.00 N ATOM 0 H ARG A 35 7.272 3.005 -0.192 1.00 0.00 H new ATOM 0 HA ARG A 35 8.334 0.527 -0.890 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.134 2.760 -2.686 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.222 1.309 -3.052 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.248 2.398 -1.787 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.179 3.883 -1.804 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.911 4.132 -3.761 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.380 3.430 -4.409 1.00 0.00 H new ATOM 0 HE ARG A 35 4.755 2.078 -4.118 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.394 2.107 -6.673 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.084 0.481 -6.681 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.443 -0.049 -3.292 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.111 -0.730 -4.779 1.00 0.00 H new ATOM 577 N ASP A 36 10.552 2.971 -0.436 1.00 0.00 N ATOM 578 CA ASP A 36 11.957 3.304 -0.214 1.00 0.00 C ATOM 579 C ASP A 36 12.493 2.581 1.010 1.00 0.00 C ATOM 580 O ASP A 36 13.651 2.160 1.044 1.00 0.00 O ATOM 581 CB ASP A 36 12.102 4.810 -0.022 1.00 0.00 C ATOM 582 CG ASP A 36 13.577 5.207 -0.025 1.00 0.00 C ATOM 583 OD1 ASP A 36 14.113 5.417 -1.102 1.00 0.00 O ATOM 584 OD2 ASP A 36 14.152 5.290 1.048 1.00 0.00 O ATOM 0 H ASP A 36 9.918 3.765 -0.348 1.00 0.00 H new ATOM 0 HA ASP A 36 12.531 2.987 -1.085 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.575 5.337 -0.818 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.640 5.109 0.919 1.00 0.00 H new ATOM 589 N ASP A 37 11.628 2.446 2.007 1.00 0.00 N ATOM 590 CA ASP A 37 11.988 1.776 3.248 1.00 0.00 C ATOM 591 C ASP A 37 10.767 1.107 3.860 1.00 0.00 C ATOM 592 O ASP A 37 9.979 1.742 4.566 1.00 0.00 O ATOM 593 CB ASP A 37 12.611 2.769 4.242 1.00 0.00 C ATOM 594 CG ASP A 37 13.373 2.016 5.337 1.00 0.00 C ATOM 595 OD1 ASP A 37 12.773 1.166 5.980 1.00 0.00 O ATOM 596 OD2 ASP A 37 14.544 2.300 5.519 1.00 0.00 O ATOM 0 H ASP A 37 10.669 2.793 1.979 1.00 0.00 H new ATOM 0 HA ASP A 37 12.729 1.010 3.022 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.287 3.444 3.717 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.831 3.384 4.690 1.00 0.00 H new ATOM 601 N PRO A 38 10.597 -0.162 3.591 1.00 0.00 N ATOM 602 CA PRO A 38 9.449 -0.936 4.114 1.00 0.00 C ATOM 603 C PRO A 38 9.529 -1.174 5.616 1.00 0.00 C ATOM 604 O PRO A 38 8.506 -1.243 6.291 1.00 0.00 O ATOM 605 CB PRO A 38 9.485 -2.251 3.347 1.00 0.00 C ATOM 606 CG PRO A 38 10.633 -2.197 2.391 1.00 0.00 C ATOM 607 CD PRO A 38 11.484 -0.993 2.760 1.00 0.00 C ATOM 0 HA PRO A 38 8.515 -0.391 3.972 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.600 -3.090 4.034 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.549 -2.405 2.810 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.221 -3.113 2.447 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.273 -2.112 1.366 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.378 -1.291 3.307 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.818 -0.455 1.873 1.00 0.00 H new ATOM 615 N SER A 39 10.744 -1.274 6.137 1.00 0.00 N ATOM 616 CA SER A 39 10.930 -1.469 7.569 1.00 0.00 C ATOM 617 C SER A 39 10.374 -0.250 8.297 1.00 0.00 C ATOM 618 O SER A 39 9.912 -0.337 9.437 1.00 0.00 O ATOM 619 CB SER A 39 12.416 -1.645 7.897 1.00 0.00 C ATOM 620 OG SER A 39 12.555 -2.038 9.257 1.00 0.00 O ATOM 0 H SER A 39 11.608 -1.224 5.597 1.00 0.00 H new ATOM 0 HA SER A 39 10.405 -2.369 7.889 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.858 -2.396 7.243 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.952 -0.713 7.719 1.00 0.00 H new ATOM 0 HG SER A 39 13.505 -2.153 9.469 1.00 0.00 H new ATOM 626 N GLN A 40 10.429 0.885 7.599 1.00 0.00 N ATOM 627 CA GLN A 40 9.943 2.154 8.119 1.00 0.00 C ATOM 628 C GLN A 40 8.428 2.291 7.904 1.00 0.00 C ATOM 629 O GLN A 40 7.834 3.276 8.303 1.00 0.00 O ATOM 630 CB GLN A 40 10.679 3.298 7.400 1.00 0.00 C ATOM 631 CG GLN A 40 10.544 4.615 8.174 1.00 0.00 C ATOM 632 CD GLN A 40 11.314 5.718 7.454 1.00 0.00 C ATOM 633 OE1 GLN A 40 10.889 6.185 6.397 1.00 0.00 O ATOM 634 NE2 GLN A 40 12.429 6.164 7.963 1.00 0.00 N ATOM 0 H GLN A 40 10.813 0.945 6.656 1.00 0.00 H new ATOM 0 HA GLN A 40 10.136 2.198 9.191 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.733 3.044 7.290 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.274 3.420 6.395 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.493 4.890 8.262 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.927 4.493 9.187 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.781 5.777 8.839 1.00 0.00 H new ATOM 0 HE22 GLN A 40 12.949 6.900 7.485 1.00 0.00 H new ATOM 643 N SER A 41 7.811 1.306 7.257 1.00 0.00 N ATOM 644 CA SER A 41 6.373 1.357 6.967 1.00 0.00 C ATOM 645 C SER A 41 5.543 1.696 8.206 1.00 0.00 C ATOM 646 O SER A 41 4.577 2.456 8.125 1.00 0.00 O ATOM 647 CB SER A 41 5.928 -0.014 6.458 1.00 0.00 C ATOM 648 OG SER A 41 6.080 -0.977 7.492 1.00 0.00 O ATOM 0 H SER A 41 8.279 0.463 6.923 1.00 0.00 H new ATOM 0 HA SER A 41 6.212 2.138 6.224 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.888 0.027 6.135 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.521 -0.301 5.589 1.00 0.00 H new ATOM 0 HG SER A 41 6.952 -1.415 7.405 1.00 0.00 H new ATOM 654 N ALA A 42 5.942 1.147 9.345 1.00 0.00 N ATOM 655 CA ALA A 42 5.255 1.398 10.605 1.00 0.00 C ATOM 656 C ALA A 42 5.404 2.853 10.997 1.00 0.00 C ATOM 657 O ALA A 42 4.491 3.471 11.541 1.00 0.00 O ATOM 658 CB ALA A 42 5.899 0.552 11.689 1.00 0.00 C ATOM 0 H ALA A 42 6.743 0.521 9.422 1.00 0.00 H new ATOM 0 HA ALA A 42 4.199 1.152 10.490 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.394 0.731 12.638 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.815 -0.502 11.426 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.951 0.820 11.782 1.00 0.00 H new ATOM 664 N ASN A 43 6.588 3.368 10.715 1.00 0.00 N ATOM 665 CA ASN A 43 6.938 4.734 11.021 1.00 0.00 C ATOM 666 C ASN A 43 6.159 5.706 10.149 1.00 0.00 C ATOM 667 O ASN A 43 5.793 6.790 10.573 1.00 0.00 O ATOM 668 CB ASN A 43 8.432 4.901 10.774 1.00 0.00 C ATOM 669 CG ASN A 43 9.212 4.720 12.072 1.00 0.00 C ATOM 670 OD1 ASN A 43 9.973 5.602 12.469 1.00 0.00 O ATOM 671 ND2 ASN A 43 9.071 3.620 12.761 1.00 0.00 N ATOM 0 H ASN A 43 7.336 2.841 10.264 1.00 0.00 H new ATOM 0 HA ASN A 43 6.690 4.951 12.060 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.768 4.172 10.036 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.630 5.889 10.359 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.592 3.491 13.629 1.00 0.00 H new ATOM 0 HD22 ASN A 43 8.440 2.889 12.432 1.00 0.00 H new ATOM 678 N LEU A 44 5.934 5.288 8.923 1.00 0.00 N ATOM 679 CA LEU A 44 5.215 6.074 7.929 1.00 0.00 C ATOM 680 C LEU A 44 3.764 6.079 8.270 1.00 0.00 C ATOM 681 O LEU A 44 3.071 7.087 8.163 1.00 0.00 O ATOM 682 CB LEU A 44 5.498 5.437 6.583 1.00 0.00 C ATOM 683 CG LEU A 44 7.018 5.439 6.450 1.00 0.00 C ATOM 684 CD1 LEU A 44 7.482 4.508 5.352 1.00 0.00 C ATOM 685 CD2 LEU A 44 7.459 6.860 6.208 1.00 0.00 C ATOM 0 H LEU A 44 6.247 4.381 8.578 1.00 0.00 H new ATOM 0 HA LEU A 44 5.534 7.116 7.904 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.100 4.423 6.536 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.031 6.000 5.775 1.00 0.00 H new ATOM 0 HG LEU A 44 7.473 5.065 7.367 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.570 4.536 5.287 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.158 3.492 5.576 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.053 4.825 4.401 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.544 6.892 6.109 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.000 7.233 5.293 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.153 7.484 7.048 1.00 0.00 H new ATOM 697 N LEU A 45 3.360 4.943 8.762 1.00 0.00 N ATOM 698 CA LEU A 45 2.014 4.759 9.251 1.00 0.00 C ATOM 699 C LEU A 45 1.857 5.659 10.472 1.00 0.00 C ATOM 700 O LEU A 45 0.823 6.289 10.684 1.00 0.00 O ATOM 701 CB LEU A 45 1.811 3.285 9.615 1.00 0.00 C ATOM 702 CG LEU A 45 0.579 3.106 10.505 1.00 0.00 C ATOM 703 CD1 LEU A 45 -0.663 3.668 9.805 1.00 0.00 C ATOM 704 CD2 LEU A 45 0.398 1.615 10.789 1.00 0.00 C ATOM 0 H LEU A 45 3.951 4.115 8.838 1.00 0.00 H new ATOM 0 HA LEU A 45 1.267 5.021 8.501 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.697 2.694 8.706 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.695 2.909 10.131 1.00 0.00 H new ATOM 0 HG LEU A 45 0.715 3.646 11.442 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.534 3.535 10.447 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.518 4.730 9.604 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.821 3.139 8.865 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.477 1.469 11.423 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.259 1.080 9.850 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.283 1.231 11.297 1.00 0.00 H new ATOM 716 N ALA A 46 2.934 5.727 11.240 1.00 0.00 N ATOM 717 CA ALA A 46 2.992 6.559 12.427 1.00 0.00 C ATOM 718 C ALA A 46 2.919 8.016 12.033 1.00 0.00 C ATOM 719 O ALA A 46 2.172 8.807 12.612 1.00 0.00 O ATOM 720 CB ALA A 46 4.314 6.329 13.155 1.00 0.00 C ATOM 0 H ALA A 46 3.791 5.206 11.056 1.00 0.00 H new ATOM 0 HA ALA A 46 2.155 6.301 13.075 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.353 6.956 14.046 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.392 5.281 13.445 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.142 6.585 12.495 1.00 0.00 H new ATOM 726 N GLU A 47 3.705 8.339 11.018 1.00 0.00 N ATOM 727 CA GLU A 47 3.770 9.671 10.484 1.00 0.00 C ATOM 728 C GLU A 47 2.437 10.049 9.893 1.00 0.00 C ATOM 729 O GLU A 47 2.009 11.188 9.977 1.00 0.00 O ATOM 730 CB GLU A 47 4.810 9.706 9.377 1.00 0.00 C ATOM 731 CG GLU A 47 6.228 9.826 9.930 1.00 0.00 C ATOM 732 CD GLU A 47 6.341 10.996 10.917 1.00 0.00 C ATOM 733 OE1 GLU A 47 5.980 12.103 10.546 1.00 0.00 O ATOM 734 OE2 GLU A 47 6.779 10.764 12.032 1.00 0.00 O ATOM 0 H GLU A 47 4.316 7.673 10.545 1.00 0.00 H new ATOM 0 HA GLU A 47 4.031 10.366 11.282 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.731 8.800 8.776 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.607 10.547 8.714 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.507 8.898 10.429 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.930 9.970 9.109 1.00 0.00 H new ATOM 741 N ALA A 48 1.794 9.068 9.291 1.00 0.00 N ATOM 742 CA ALA A 48 0.519 9.277 8.681 1.00 0.00 C ATOM 743 C ALA A 48 -0.511 9.551 9.751 1.00 0.00 C ATOM 744 O ALA A 48 -1.265 10.506 9.647 1.00 0.00 O ATOM 745 CB ALA A 48 0.176 8.038 7.893 1.00 0.00 C ATOM 0 H ALA A 48 2.147 8.114 9.217 1.00 0.00 H new ATOM 0 HA ALA A 48 0.538 10.137 8.011 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.795 8.168 7.415 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.937 7.870 7.131 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.138 7.179 8.563 1.00 0.00 H new ATOM 751 N LYS A 49 -0.497 8.740 10.805 1.00 0.00 N ATOM 752 CA LYS A 49 -1.401 8.953 11.924 1.00 0.00 C ATOM 753 C LYS A 49 -1.131 10.322 12.517 1.00 0.00 C ATOM 754 O LYS A 49 -2.040 10.979 13.012 1.00 0.00 O ATOM 755 CB LYS A 49 -1.218 7.859 12.979 1.00 0.00 C ATOM 756 CG LYS A 49 -1.826 6.555 12.456 1.00 0.00 C ATOM 757 CD LYS A 49 -1.682 5.447 13.504 1.00 0.00 C ATOM 758 CE LYS A 49 -2.295 4.152 12.961 1.00 0.00 C ATOM 759 NZ LYS A 49 -1.387 3.005 13.245 1.00 0.00 N ATOM 0 H LYS A 49 0.125 7.938 10.905 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.433 8.906 11.575 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.159 7.720 13.197 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.700 8.151 13.912 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.879 6.706 12.218 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.330 6.259 11.532 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.630 5.292 13.744 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.180 5.739 14.429 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.268 3.979 13.420 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.460 4.240 11.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.748 2.151 12.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.434 3.220 12.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.345 2.842 14.271 1.00 0.00 H new ATOM 773 N LYS A 50 0.130 10.755 12.431 1.00 0.00 N ATOM 774 CA LYS A 50 0.518 12.051 12.933 1.00 0.00 C ATOM 775 C LYS A 50 0.012 13.139 12.007 1.00 0.00 C ATOM 776 O LYS A 50 -0.506 14.163 12.455 1.00 0.00 O ATOM 777 CB LYS A 50 2.046 12.105 13.047 1.00 0.00 C ATOM 778 CG LYS A 50 2.499 13.389 13.753 1.00 0.00 C ATOM 779 CD LYS A 50 3.941 13.712 13.334 1.00 0.00 C ATOM 780 CE LYS A 50 4.919 12.699 13.948 1.00 0.00 C ATOM 781 NZ LYS A 50 4.867 12.787 15.435 1.00 0.00 N ATOM 0 H LYS A 50 0.891 10.217 12.016 1.00 0.00 H new ATOM 0 HA LYS A 50 0.079 12.213 13.918 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.404 11.236 13.599 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.490 12.056 12.053 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.838 14.215 13.492 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.441 13.264 14.834 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.023 13.693 12.247 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.202 14.720 13.656 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.663 11.690 13.625 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.932 12.899 13.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.761 12.436 15.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.726 13.777 15.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.078 12.209 15.790 1.00 0.00 H new ATOM 795 N LEU A 51 0.160 12.894 10.713 1.00 0.00 N ATOM 796 CA LEU A 51 -0.285 13.841 9.711 1.00 0.00 C ATOM 797 C LEU A 51 -1.799 13.886 9.687 1.00 0.00 C ATOM 798 O LEU A 51 -2.403 14.953 9.586 1.00 0.00 O ATOM 799 CB LEU A 51 0.256 13.456 8.326 1.00 0.00 C ATOM 800 CG LEU A 51 1.564 14.205 8.022 1.00 0.00 C ATOM 801 CD1 LEU A 51 1.361 15.719 8.172 1.00 0.00 C ATOM 802 CD2 LEU A 51 2.685 13.729 8.960 1.00 0.00 C ATOM 0 H LEU A 51 0.585 12.047 10.336 1.00 0.00 H new ATOM 0 HA LEU A 51 0.099 14.829 9.966 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.430 12.381 8.285 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.487 13.688 7.563 1.00 0.00 H new ATOM 0 HG LEU A 51 1.852 13.990 6.993 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.296 16.235 7.953 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.591 16.053 7.477 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.052 15.945 9.192 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.604 14.269 8.732 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.399 13.920 9.994 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.848 12.660 8.820 1.00 0.00 H new ATOM 814 N ASN A 52 -2.393 12.707 9.804 1.00 0.00 N ATOM 815 CA ASN A 52 -3.826 12.570 9.824 1.00 0.00 C ATOM 816 C ASN A 52 -4.375 13.286 11.037 1.00 0.00 C ATOM 817 O ASN A 52 -5.334 14.044 10.940 1.00 0.00 O ATOM 818 CB ASN A 52 -4.184 11.092 9.904 1.00 0.00 C ATOM 819 CG ASN A 52 -5.689 10.913 9.961 1.00 0.00 C ATOM 820 OD1 ASN A 52 -6.333 10.826 8.927 1.00 0.00 O ATOM 821 ND2 ASN A 52 -6.289 10.856 11.117 1.00 0.00 N ATOM 0 H ASN A 52 -1.888 11.825 9.887 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.253 13.002 8.919 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.782 10.567 9.038 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.725 10.648 10.787 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -7.301 10.738 11.161 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.746 10.929 11.977 1.00 0.00 H new ATOM 828 N ASP A 53 -3.734 13.045 12.179 1.00 0.00 N ATOM 829 CA ASP A 53 -4.148 13.682 13.415 1.00 0.00 C ATOM 830 C ASP A 53 -3.973 15.188 13.311 1.00 0.00 C ATOM 831 O ASP A 53 -4.833 15.957 13.743 1.00 0.00 O ATOM 832 CB ASP A 53 -3.346 13.140 14.605 1.00 0.00 C ATOM 833 CG ASP A 53 -3.768 11.707 14.973 1.00 0.00 C ATOM 834 OD1 ASP A 53 -4.724 11.202 14.397 1.00 0.00 O ATOM 835 OD2 ASP A 53 -3.124 11.134 15.834 1.00 0.00 O ATOM 0 H ASP A 53 -2.934 12.418 12.268 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.201 13.455 13.580 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.283 13.155 14.364 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.487 13.793 15.466 1.00 0.00 H new ATOM 840 N ALA A 54 -2.855 15.597 12.713 1.00 0.00 N ATOM 841 CA ALA A 54 -2.564 17.007 12.523 1.00 0.00 C ATOM 842 C ALA A 54 -3.623 17.633 11.623 1.00 0.00 C ATOM 843 O ALA A 54 -4.051 18.768 11.843 1.00 0.00 O ATOM 844 CB ALA A 54 -1.182 17.164 11.888 1.00 0.00 C ATOM 0 H ALA A 54 -2.138 14.967 12.353 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.574 17.512 13.489 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.965 18.223 11.746 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.429 16.724 12.542 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.165 16.658 10.923 1.00 0.00 H new ATOM 850 N GLN A 55 -4.046 16.868 10.615 1.00 0.00 N ATOM 851 CA GLN A 55 -5.066 17.322 9.677 1.00 0.00 C ATOM 852 C GLN A 55 -6.471 17.044 10.216 1.00 0.00 C ATOM 853 O GLN A 55 -7.466 17.487 9.637 1.00 0.00 O ATOM 854 CB GLN A 55 -4.858 16.608 8.342 1.00 0.00 C ATOM 855 CG GLN A 55 -3.632 17.198 7.636 1.00 0.00 C ATOM 856 CD GLN A 55 -3.225 16.305 6.475 1.00 0.00 C ATOM 857 OE1 GLN A 55 -3.370 16.680 5.312 1.00 0.00 O ATOM 858 NE2 GLN A 55 -2.721 15.135 6.726 1.00 0.00 N ATOM 0 H GLN A 55 -3.695 15.929 10.430 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.973 18.399 9.540 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.718 15.540 8.506 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.742 16.721 7.715 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.858 18.201 7.273 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.806 17.292 8.341 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.602 14.827 7.691 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.444 14.524 5.958 1.00 0.00 H new ATOM 867 N ALA A 56 -6.540 16.312 11.330 1.00 0.00 N ATOM 868 CA ALA A 56 -7.818 15.975 11.956 1.00 0.00 C ATOM 869 C ALA A 56 -8.172 17.002 13.022 1.00 0.00 C ATOM 870 O ALA A 56 -7.309 17.379 13.812 1.00 0.00 O ATOM 871 CB ALA A 56 -7.748 14.586 12.602 1.00 0.00 C ATOM 0 H ALA A 56 -5.724 15.941 11.817 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.585 15.976 11.182 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.707 14.351 13.063 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.520 13.841 11.840 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.968 14.578 13.363 1.00 0.00 H new ATOM 877 N PRO A 57 -9.415 17.455 13.049 1.00 0.00 N ATOM 878 CA PRO A 57 -9.922 18.457 14.037 1.00 0.00 C ATOM 879 C PRO A 57 -9.486 18.115 15.466 1.00 0.00 C ATOM 880 O PRO A 57 -10.211 17.470 16.230 1.00 0.00 O ATOM 881 CB PRO A 57 -11.447 18.362 13.911 1.00 0.00 C ATOM 882 CG PRO A 57 -11.725 17.264 12.958 1.00 0.00 C ATOM 883 CD PRO A 57 -10.488 17.086 12.120 1.00 0.00 C ATOM 0 HA PRO A 57 -9.534 19.456 13.839 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -11.904 18.159 14.880 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -11.865 19.302 13.552 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -11.966 16.344 13.490 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.584 17.505 12.332 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.383 16.060 11.766 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -10.500 17.728 11.239 1.00 0.00 H new ATOM 891 N LYS A 58 -8.283 18.534 15.787 1.00 0.00 N ATOM 892 CA LYS A 58 -7.681 18.280 17.097 1.00 0.00 C ATOM 893 C LYS A 58 -6.963 19.527 17.615 1.00 0.00 C ATOM 894 O LYS A 58 -6.265 20.156 16.833 1.00 0.00 O ATOM 895 CB LYS A 58 -6.691 17.120 16.995 1.00 0.00 C ATOM 896 CG LYS A 58 -7.436 15.810 16.690 1.00 0.00 C ATOM 897 CD LYS A 58 -6.431 14.673 16.446 1.00 0.00 C ATOM 898 CE LYS A 58 -5.803 14.223 17.769 1.00 0.00 C ATOM 899 NZ LYS A 58 -5.001 12.986 17.541 1.00 0.00 N ATOM 900 OXT LYS A 58 -7.120 19.836 18.786 1.00 0.00 O ATOM 0 H LYS A 58 -7.685 19.063 15.152 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.475 18.021 17.798 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.962 17.323 16.211 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.137 17.023 17.928 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.092 15.554 17.522 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.070 15.939 15.813 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.933 13.831 15.969 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.652 15.008 15.762 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.168 15.013 18.170 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.581 14.034 18.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.016 12.400 18.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.408 12.450 16.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.019 13.245 17.316 1.00 0.00 H new TER 914 LYS A 58 ATOM 915 N VAL B 1 -19.157 -5.375 2.679 1.00 0.00 N ATOM 916 CA VAL B 1 -18.181 -4.601 1.859 1.00 0.00 C ATOM 917 C VAL B 1 -16.813 -5.283 1.925 1.00 0.00 C ATOM 918 O VAL B 1 -16.101 -5.364 0.921 1.00 0.00 O ATOM 919 CB VAL B 1 -18.102 -3.152 2.388 1.00 0.00 C ATOM 920 CG1 VAL B 1 -17.584 -3.132 3.835 1.00 0.00 C ATOM 921 CG2 VAL B 1 -17.166 -2.322 1.496 1.00 0.00 C ATOM 0 H1 VAL B 1 -20.075 -4.887 2.678 1.00 0.00 H new ATOM 0 H2 VAL B 1 -19.271 -6.327 2.276 1.00 0.00 H new ATOM 0 H3 VAL B 1 -18.807 -5.451 3.655 1.00 0.00 H new ATOM 0 HA VAL B 1 -18.504 -4.571 0.819 1.00 0.00 H new ATOM 0 HB VAL B 1 -19.103 -2.721 2.367 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -17.535 -2.103 4.190 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -18.260 -3.704 4.471 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -16.589 -3.576 3.871 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -17.114 -1.301 1.874 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -16.169 -2.763 1.505 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -17.550 -2.312 0.476 1.00 0.00 H new ATOM 933 N ASP B 2 -16.462 -5.773 3.114 1.00 0.00 N ATOM 934 CA ASP B 2 -15.186 -6.452 3.323 1.00 0.00 C ATOM 935 C ASP B 2 -15.254 -7.897 2.824 1.00 0.00 C ATOM 936 O ASP B 2 -16.318 -8.379 2.427 1.00 0.00 O ATOM 937 CB ASP B 2 -14.833 -6.433 4.815 1.00 0.00 C ATOM 938 CG ASP B 2 -15.898 -7.184 5.617 1.00 0.00 C ATOM 939 OD1 ASP B 2 -16.928 -6.591 5.896 1.00 0.00 O ATOM 940 OD2 ASP B 2 -15.672 -8.342 5.927 1.00 0.00 O ATOM 0 H ASP B 2 -17.046 -5.711 3.948 1.00 0.00 H new ATOM 0 HA ASP B 2 -14.415 -5.928 2.758 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -13.857 -6.893 4.972 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -14.761 -5.404 5.166 1.00 0.00 H new ATOM 945 N ASN B 3 -14.110 -8.578 2.858 1.00 0.00 N ATOM 946 CA ASN B 3 -14.023 -9.965 2.423 1.00 0.00 C ATOM 947 C ASN B 3 -12.896 -10.680 3.164 1.00 0.00 C ATOM 948 O ASN B 3 -12.046 -10.035 3.785 1.00 0.00 O ATOM 949 CB ASN B 3 -13.777 -10.022 0.908 1.00 0.00 C ATOM 950 CG ASN B 3 -13.972 -11.443 0.388 1.00 0.00 C ATOM 951 OD1 ASN B 3 -13.009 -12.096 -0.008 1.00 0.00 O ATOM 952 ND2 ASN B 3 -15.166 -11.965 0.371 1.00 0.00 N ATOM 0 H ASN B 3 -13.227 -8.186 3.185 1.00 0.00 H new ATOM 0 HA ASN B 3 -14.964 -10.466 2.650 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -14.461 -9.344 0.397 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -12.766 -9.682 0.685 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -15.302 -12.916 0.029 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -15.965 -11.422 0.700 1.00 0.00 H new ATOM 959 N LYS B 4 -12.887 -12.013 3.085 1.00 0.00 N ATOM 960 CA LYS B 4 -11.849 -12.810 3.744 1.00 0.00 C ATOM 961 C LYS B 4 -10.470 -12.435 3.202 1.00 0.00 C ATOM 962 O LYS B 4 -9.448 -12.661 3.854 1.00 0.00 O ATOM 963 CB LYS B 4 -12.128 -14.309 3.545 1.00 0.00 C ATOM 964 CG LYS B 4 -11.926 -14.699 2.077 1.00 0.00 C ATOM 965 CD LYS B 4 -12.359 -16.151 1.860 1.00 0.00 C ATOM 966 CE LYS B 4 -13.887 -16.238 1.871 1.00 0.00 C ATOM 967 NZ LYS B 4 -14.313 -17.568 1.350 1.00 0.00 N ATOM 0 H LYS B 4 -13.581 -12.560 2.575 1.00 0.00 H new ATOM 0 HA LYS B 4 -11.863 -12.598 4.813 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -11.464 -14.896 4.179 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -13.148 -14.540 3.852 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -12.505 -14.037 1.433 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -10.879 -14.577 1.800 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -11.971 -16.519 0.910 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -11.943 -16.786 2.642 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -14.263 -16.095 2.884 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -14.312 -15.443 1.258 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -15.351 -17.627 1.357 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -13.966 -17.687 0.377 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -13.919 -18.319 1.952 1.00 0.00 H new ATOM 981 N PHE B 5 -10.468 -11.853 2.004 1.00 0.00 N ATOM 982 CA PHE B 5 -9.248 -11.427 1.347 1.00 0.00 C ATOM 983 C PHE B 5 -8.600 -10.244 2.051 1.00 0.00 C ATOM 984 O PHE B 5 -7.617 -9.732 1.562 1.00 0.00 O ATOM 985 CB PHE B 5 -9.546 -11.062 -0.115 1.00 0.00 C ATOM 986 CG PHE B 5 -9.501 -12.315 -0.948 1.00 0.00 C ATOM 987 CD1 PHE B 5 -10.298 -13.404 -0.590 1.00 0.00 C ATOM 988 CD2 PHE B 5 -8.655 -12.397 -2.058 1.00 0.00 C ATOM 989 CE1 PHE B 5 -10.254 -14.579 -1.342 1.00 0.00 C ATOM 990 CE2 PHE B 5 -8.608 -13.573 -2.812 1.00 0.00 C ATOM 991 CZ PHE B 5 -9.408 -14.665 -2.453 1.00 0.00 C ATOM 0 H PHE B 5 -11.315 -11.667 1.467 1.00 0.00 H new ATOM 0 HA PHE B 5 -8.545 -12.259 1.388 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -10.526 -10.592 -0.194 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -8.815 -10.340 -0.480 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -10.949 -13.337 0.269 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -8.039 -11.553 -2.332 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -10.872 -15.421 -1.067 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -7.956 -13.639 -3.670 1.00 0.00 H new ATOM 0 HZ PHE B 5 -9.372 -15.574 -3.034 1.00 0.00 H new ATOM 1001 N ASN B 6 -9.132 -9.814 3.198 1.00 0.00 N ATOM 1002 CA ASN B 6 -8.516 -8.692 3.919 1.00 0.00 C ATOM 1003 C ASN B 6 -7.062 -9.040 4.211 1.00 0.00 C ATOM 1004 O ASN B 6 -6.161 -8.257 3.919 1.00 0.00 O ATOM 1005 CB ASN B 6 -9.265 -8.412 5.228 1.00 0.00 C ATOM 1006 CG ASN B 6 -8.818 -7.071 5.814 1.00 0.00 C ATOM 1007 OD1 ASN B 6 -9.644 -6.190 6.050 1.00 0.00 O ATOM 1008 ND2 ASN B 6 -7.553 -6.859 6.056 1.00 0.00 N ATOM 0 H ASN B 6 -9.962 -10.210 3.639 1.00 0.00 H new ATOM 0 HA ASN B 6 -8.568 -7.794 3.304 1.00 0.00 H new ATOM 0 HB2 ASN B 6 -10.339 -8.398 5.045 1.00 0.00 H new ATOM 0 HB3 ASN B 6 -9.074 -9.212 5.943 1.00 0.00 H new ATOM 0 HD21 ASN B 6 -7.250 -5.964 6.440 1.00 0.00 H new ATOM 0 HD22 ASN B 6 -6.867 -7.588 5.861 1.00 0.00 H new ATOM 1015 N LYS B 7 -6.848 -10.247 4.732 1.00 0.00 N ATOM 1016 CA LYS B 7 -5.501 -10.738 5.012 1.00 0.00 C ATOM 1017 C LYS B 7 -4.703 -10.793 3.714 1.00 0.00 C ATOM 1018 O LYS B 7 -3.542 -10.380 3.655 1.00 0.00 O ATOM 1019 CB LYS B 7 -5.598 -12.146 5.621 1.00 0.00 C ATOM 1020 CG LYS B 7 -4.199 -12.749 5.826 1.00 0.00 C ATOM 1021 CD LYS B 7 -4.336 -14.211 6.276 1.00 0.00 C ATOM 1022 CE LYS B 7 -2.963 -14.894 6.267 1.00 0.00 C ATOM 1023 NZ LYS B 7 -2.437 -14.937 4.872 1.00 0.00 N ATOM 0 H LYS B 7 -7.592 -10.903 4.969 1.00 0.00 H new ATOM 0 HA LYS B 7 -5.000 -10.070 5.713 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -6.122 -12.099 6.576 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -6.185 -12.791 4.967 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -3.628 -12.694 4.899 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -3.650 -12.177 6.574 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -4.766 -14.253 7.277 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -5.020 -14.742 5.613 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -2.271 -14.351 6.911 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -3.045 -15.905 6.667 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -2.142 -15.907 4.642 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -3.181 -14.635 4.211 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -1.620 -14.298 4.789 1.00 0.00 H new ATOM 1037 N GLU B 8 -5.358 -11.318 2.683 1.00 0.00 N ATOM 1038 CA GLU B 8 -4.760 -11.462 1.362 1.00 0.00 C ATOM 1039 C GLU B 8 -4.504 -10.101 0.712 1.00 0.00 C ATOM 1040 O GLU B 8 -3.543 -9.932 -0.043 1.00 0.00 O ATOM 1041 CB GLU B 8 -5.711 -12.291 0.476 1.00 0.00 C ATOM 1042 CG GLU B 8 -5.925 -13.690 1.084 1.00 0.00 C ATOM 1043 CD GLU B 8 -4.587 -14.337 1.459 1.00 0.00 C ATOM 1044 OE1 GLU B 8 -3.779 -14.549 0.569 1.00 0.00 O ATOM 1045 OE2 GLU B 8 -4.384 -14.595 2.637 1.00 0.00 O ATOM 0 H GLU B 8 -6.319 -11.655 2.741 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.799 -11.966 1.466 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -6.668 -11.779 0.380 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -5.296 -12.383 -0.528 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -6.556 -13.613 1.969 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -6.452 -14.324 0.371 1.00 0.00 H new ATOM 1052 N ARG B 9 -5.379 -9.145 1.009 1.00 0.00 N ATOM 1053 CA ARG B 9 -5.281 -7.806 0.464 1.00 0.00 C ATOM 1054 C ARG B 9 -4.032 -7.124 0.995 1.00 0.00 C ATOM 1055 O ARG B 9 -3.322 -6.465 0.256 1.00 0.00 O ATOM 1056 CB ARG B 9 -6.508 -6.978 0.880 1.00 0.00 C ATOM 1057 CG ARG B 9 -6.496 -5.621 0.160 1.00 0.00 C ATOM 1058 CD ARG B 9 -7.310 -4.595 0.953 1.00 0.00 C ATOM 1059 NE ARG B 9 -8.679 -5.060 1.133 1.00 0.00 N ATOM 1060 CZ ARG B 9 -9.716 -4.257 0.923 1.00 0.00 C ATOM 1061 NH1 ARG B 9 -10.040 -3.913 -0.290 1.00 0.00 N ATOM 1062 NH2 ARG B 9 -10.407 -3.812 1.933 1.00 0.00 N ATOM 0 H ARG B 9 -6.173 -9.282 1.634 1.00 0.00 H new ATOM 0 HA ARG B 9 -5.234 -7.875 -0.623 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -7.422 -7.520 0.637 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -6.505 -6.826 1.959 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -5.470 -5.271 0.044 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -6.911 -5.729 -0.842 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -6.846 -4.426 1.925 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -7.310 -3.639 0.430 1.00 0.00 H new ATOM 0 HE ARG B 9 -8.845 -6.023 1.427 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -9.497 -4.260 -1.081 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -10.837 -3.296 -0.450 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -10.152 -4.080 2.883 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -11.204 -3.195 1.774 1.00 0.00 H new ATOM 1076 N VAL B 10 -3.787 -7.293 2.295 1.00 0.00 N ATOM 1077 CA VAL B 10 -2.639 -6.671 2.955 1.00 0.00 C ATOM 1078 C VAL B 10 -1.340 -7.091 2.278 1.00 0.00 C ATOM 1079 O VAL B 10 -0.421 -6.284 2.132 1.00 0.00 O ATOM 1080 CB VAL B 10 -2.596 -7.065 4.442 1.00 0.00 C ATOM 1081 CG1 VAL B 10 -1.537 -6.232 5.162 1.00 0.00 C ATOM 1082 CG2 VAL B 10 -3.980 -6.874 5.105 1.00 0.00 C ATOM 0 H VAL B 10 -4.370 -7.857 2.913 1.00 0.00 H new ATOM 0 HA VAL B 10 -2.747 -5.589 2.875 1.00 0.00 H new ATOM 0 HB VAL B 10 -2.334 -8.120 4.518 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -1.508 -6.512 6.215 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -0.562 -6.414 4.711 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -1.785 -5.174 5.075 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -3.923 -7.159 6.155 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -4.279 -5.829 5.029 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -4.715 -7.499 4.599 1.00 0.00 H new ATOM 1092 N ILE B 11 -1.274 -8.352 1.866 1.00 0.00 N ATOM 1093 CA ILE B 11 -0.087 -8.867 1.200 1.00 0.00 C ATOM 1094 C ILE B 11 0.054 -8.248 -0.189 1.00 0.00 C ATOM 1095 O ILE B 11 1.157 -7.897 -0.597 1.00 0.00 O ATOM 1096 CB ILE B 11 -0.151 -10.393 1.121 1.00 0.00 C ATOM 1097 CG1 ILE B 11 -0.438 -10.941 2.545 1.00 0.00 C ATOM 1098 CG2 ILE B 11 1.187 -10.928 0.574 1.00 0.00 C ATOM 1099 CD1 ILE B 11 0.412 -12.184 2.857 1.00 0.00 C ATOM 0 H ILE B 11 -2.025 -9.032 1.981 1.00 0.00 H new ATOM 0 HA ILE B 11 0.794 -8.592 1.780 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.945 -10.719 0.449 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.232 -10.165 3.282 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.495 -11.192 2.633 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.147 -12.016 0.515 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.364 -10.517 -0.420 1.00 0.00 H new ATOM 0 HG23 ILE B 11 1.997 -10.630 1.239 1.00 0.00 H new ATOM 0 HD11 ILE B 11 0.183 -12.538 3.862 1.00 0.00 H new ATOM 0 HD12 ILE B 11 0.187 -12.969 2.135 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.469 -11.927 2.795 1.00 0.00 H new ATOM 1111 N ALA B 12 -1.074 -8.085 -0.899 1.00 0.00 N ATOM 1112 CA ALA B 12 -1.057 -7.466 -2.217 1.00 0.00 C ATOM 1113 C ALA B 12 -0.690 -6.020 -2.067 1.00 0.00 C ATOM 1114 O ALA B 12 0.171 -5.531 -2.784 1.00 0.00 O ATOM 1115 CB ALA B 12 -2.426 -7.577 -2.873 1.00 0.00 C ATOM 0 H ALA B 12 -1.998 -8.374 -0.578 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.327 -7.977 -2.846 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -2.397 -7.110 -3.857 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -2.695 -8.628 -2.978 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -3.168 -7.073 -2.254 1.00 0.00 H new ATOM 1121 N ILE B 13 -1.303 -5.364 -1.079 1.00 0.00 N ATOM 1122 CA ILE B 13 -0.992 -3.976 -0.797 1.00 0.00 C ATOM 1123 C ILE B 13 0.499 -3.924 -0.529 1.00 0.00 C ATOM 1124 O ILE B 13 1.176 -3.000 -0.931 1.00 0.00 O ATOM 1125 CB ILE B 13 -1.774 -3.484 0.444 1.00 0.00 C ATOM 1126 CG1 ILE B 13 -3.289 -3.558 0.214 1.00 0.00 C ATOM 1127 CG2 ILE B 13 -1.440 -2.025 0.729 1.00 0.00 C ATOM 1128 CD1 ILE B 13 -4.008 -3.617 1.551 1.00 0.00 C ATOM 0 H ILE B 13 -2.011 -5.774 -0.470 1.00 0.00 H new ATOM 0 HA ILE B 13 -1.272 -3.333 -1.631 1.00 0.00 H new ATOM 0 HB ILE B 13 -1.488 -4.127 1.276 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -3.624 -2.688 -0.352 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -3.534 -4.438 -0.380 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -1.996 -1.689 1.604 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -0.371 -1.927 0.918 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -1.714 -1.414 -0.131 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -5.084 -3.669 1.384 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -3.683 -4.500 2.100 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -3.774 -2.723 2.130 1.00 0.00 H new ATOM 1140 N GLY B 14 0.995 -4.974 0.121 1.00 0.00 N ATOM 1141 CA GLY B 14 2.418 -5.099 0.419 1.00 0.00 C ATOM 1142 C GLY B 14 3.242 -5.341 -0.842 1.00 0.00 C ATOM 1143 O GLY B 14 4.325 -4.785 -0.991 1.00 0.00 O ATOM 0 H GLY B 14 0.428 -5.754 0.453 1.00 0.00 H new ATOM 0 HA2 GLY B 14 2.767 -4.192 0.913 1.00 0.00 H new ATOM 0 HA3 GLY B 14 2.572 -5.922 1.117 1.00 0.00 H new ATOM 1147 N GLU B 15 2.732 -6.186 -1.737 1.00 0.00 N ATOM 1148 CA GLU B 15 3.444 -6.516 -2.960 1.00 0.00 C ATOM 1149 C GLU B 15 3.576 -5.301 -3.840 1.00 0.00 C ATOM 1150 O GLU B 15 4.636 -5.078 -4.416 1.00 0.00 O ATOM 1151 CB GLU B 15 2.721 -7.629 -3.706 1.00 0.00 C ATOM 1152 CG GLU B 15 3.689 -8.362 -4.663 1.00 0.00 C ATOM 1153 CD GLU B 15 3.485 -9.876 -4.559 1.00 0.00 C ATOM 1154 OE1 GLU B 15 2.389 -10.330 -4.843 1.00 0.00 O ATOM 1155 OE2 GLU B 15 4.428 -10.558 -4.194 1.00 0.00 O ATOM 0 H GLU B 15 1.830 -6.651 -1.634 1.00 0.00 H new ATOM 0 HA GLU B 15 4.443 -6.861 -2.695 1.00 0.00 H new ATOM 0 HB2 GLU B 15 2.300 -8.338 -2.993 1.00 0.00 H new ATOM 0 HB3 GLU B 15 1.887 -7.213 -4.272 1.00 0.00 H new ATOM 0 HG2 GLU B 15 3.518 -8.034 -5.688 1.00 0.00 H new ATOM 0 HG3 GLU B 15 4.720 -8.108 -4.415 1.00 0.00 H new ATOM 1162 N ILE B 16 2.509 -4.498 -3.942 1.00 0.00 N ATOM 1163 CA ILE B 16 2.616 -3.295 -4.790 1.00 0.00 C ATOM 1164 C ILE B 16 3.783 -2.453 -4.272 1.00 0.00 C ATOM 1165 O ILE B 16 4.655 -2.018 -5.025 1.00 0.00 O ATOM 1166 CB ILE B 16 1.375 -2.363 -4.740 1.00 0.00 C ATOM 1167 CG1 ILE B 16 0.045 -3.118 -4.710 1.00 0.00 C ATOM 1168 CG2 ILE B 16 1.387 -1.448 -5.970 1.00 0.00 C ATOM 1169 CD1 ILE B 16 -0.158 -3.882 -6.004 1.00 0.00 C ATOM 0 H ILE B 16 1.611 -4.641 -3.480 1.00 0.00 H new ATOM 0 HA ILE B 16 2.733 -3.657 -5.811 1.00 0.00 H new ATOM 0 HB ILE B 16 1.446 -1.797 -3.811 1.00 0.00 H new ATOM 0 HG12 ILE B 16 0.030 -3.808 -3.867 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -0.776 -2.416 -4.562 1.00 0.00 H new ATOM 0 HG21 ILE B 16 0.518 -0.790 -5.943 1.00 0.00 H new ATOM 0 HG22 ILE B 16 2.297 -0.848 -5.968 1.00 0.00 H new ATOM 0 HG23 ILE B 16 1.354 -2.055 -6.875 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.109 -4.414 -5.967 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -0.165 -3.184 -6.841 1.00 0.00 H new ATOM 0 HD13 ILE B 16 0.653 -4.598 -6.135 1.00 0.00 H new ATOM 1181 N MET B 17 3.761 -2.246 -2.962 1.00 0.00 N ATOM 1182 CA MET B 17 4.775 -1.474 -2.254 1.00 0.00 C ATOM 1183 C MET B 17 6.154 -2.141 -2.366 1.00 0.00 C ATOM 1184 O MET B 17 7.180 -1.461 -2.319 1.00 0.00 O ATOM 1185 CB MET B 17 4.340 -1.325 -0.805 1.00 0.00 C ATOM 1186 CG MET B 17 2.917 -0.756 -0.765 1.00 0.00 C ATOM 1187 SD MET B 17 2.923 0.940 -1.348 1.00 0.00 S ATOM 1188 CE MET B 17 3.992 1.584 -0.061 1.00 0.00 C ATOM 0 H MET B 17 3.030 -2.614 -2.353 1.00 0.00 H new ATOM 0 HA MET B 17 4.871 -0.486 -2.704 1.00 0.00 H new ATOM 0 HB2 MET B 17 4.373 -2.291 -0.301 1.00 0.00 H new ATOM 0 HB3 MET B 17 5.024 -0.664 -0.273 1.00 0.00 H new ATOM 0 HG2 MET B 17 2.256 -1.361 -1.386 1.00 0.00 H new ATOM 0 HG3 MET B 17 2.527 -0.799 0.252 1.00 0.00 H new ATOM 0 HE1 MET B 17 3.573 2.512 0.329 1.00 0.00 H new ATOM 0 HE2 MET B 17 4.072 0.854 0.745 1.00 0.00 H new ATOM 0 HE3 MET B 17 4.982 1.778 -0.474 1.00 0.00 H new ATOM 1198 N ARG B 18 6.173 -3.468 -2.537 1.00 0.00 N ATOM 1199 CA ARG B 18 7.434 -4.196 -2.692 1.00 0.00 C ATOM 1200 C ARG B 18 8.050 -3.897 -4.055 1.00 0.00 C ATOM 1201 O ARG B 18 9.270 -3.800 -4.185 1.00 0.00 O ATOM 1202 CB ARG B 18 7.212 -5.701 -2.580 1.00 0.00 C ATOM 1203 CG ARG B 18 6.931 -6.102 -1.131 1.00 0.00 C ATOM 1204 CD ARG B 18 8.202 -6.645 -0.467 1.00 0.00 C ATOM 1205 NE ARG B 18 8.501 -7.989 -0.961 1.00 0.00 N ATOM 1206 CZ ARG B 18 7.776 -9.039 -0.589 1.00 0.00 C ATOM 1207 NH1 ARG B 18 6.681 -9.336 -1.230 1.00 0.00 N ATOM 1208 NH2 ARG B 18 8.160 -9.773 0.415 1.00 0.00 N ATOM 0 H ARG B 18 5.338 -4.053 -2.571 1.00 0.00 H new ATOM 0 HA ARG B 18 8.105 -3.870 -1.897 1.00 0.00 H new ATOM 0 HB2 ARG B 18 6.376 -5.998 -3.213 1.00 0.00 H new ATOM 0 HB3 ARG B 18 8.092 -6.231 -2.945 1.00 0.00 H new ATOM 0 HG2 ARG B 18 6.563 -5.240 -0.574 1.00 0.00 H new ATOM 0 HG3 ARG B 18 6.147 -6.859 -1.103 1.00 0.00 H new ATOM 0 HD2 ARG B 18 9.040 -5.980 -0.674 1.00 0.00 H new ATOM 0 HD3 ARG B 18 8.073 -6.669 0.615 1.00 0.00 H new ATOM 0 HE ARG B 18 9.282 -8.123 -1.604 1.00 0.00 H new ATOM 0 HH11 ARG B 18 6.380 -8.763 -2.018 1.00 0.00 H new ATOM 0 HH12 ARG B 18 6.125 -10.142 -0.944 1.00 0.00 H new ATOM 0 HH21 ARG B 18 9.018 -9.542 0.917 1.00 0.00 H new ATOM 0 HH22 ARG B 18 7.603 -10.579 0.700 1.00 0.00 H new ATOM 1222 N LEU B 19 7.183 -3.771 -5.070 1.00 0.00 N ATOM 1223 CA LEU B 19 7.625 -3.506 -6.440 1.00 0.00 C ATOM 1224 C LEU B 19 8.428 -2.213 -6.525 1.00 0.00 C ATOM 1225 O LEU B 19 7.872 -1.125 -6.388 1.00 0.00 O ATOM 1226 CB LEU B 19 6.419 -3.394 -7.381 1.00 0.00 C ATOM 1227 CG LEU B 19 5.639 -4.710 -7.455 1.00 0.00 C ATOM 1228 CD1 LEU B 19 4.373 -4.510 -8.284 1.00 0.00 C ATOM 1229 CD2 LEU B 19 6.492 -5.777 -8.117 1.00 0.00 C ATOM 0 H LEU B 19 6.172 -3.849 -4.964 1.00 0.00 H new ATOM 0 HA LEU B 19 8.258 -4.341 -6.741 1.00 0.00 H new ATOM 0 HB2 LEU B 19 5.759 -2.598 -7.035 1.00 0.00 H new ATOM 0 HB3 LEU B 19 6.759 -3.115 -8.378 1.00 0.00 H new ATOM 0 HG LEU B 19 5.376 -5.022 -6.444 1.00 0.00 H new ATOM 0 HD11 LEU B 19 3.820 -5.448 -8.335 1.00 0.00 H new ATOM 0 HD12 LEU B 19 3.750 -3.746 -7.818 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.644 -4.193 -9.291 1.00 0.00 H new ATOM 0 HD21 LEU B 19 5.932 -6.711 -8.167 1.00 0.00 H new ATOM 0 HD22 LEU B 19 6.756 -5.458 -9.125 1.00 0.00 H new ATOM 0 HD23 LEU B 19 7.401 -5.929 -7.535 1.00 0.00 H new ATOM 1241 N PRO B 20 9.715 -2.308 -6.765 1.00 0.00 N ATOM 1242 CA PRO B 20 10.597 -1.120 -6.885 1.00 0.00 C ATOM 1243 C PRO B 20 10.488 -0.448 -8.258 1.00 0.00 C ATOM 1244 O PRO B 20 11.093 0.601 -8.485 1.00 0.00 O ATOM 1245 CB PRO B 20 12.010 -1.689 -6.669 1.00 0.00 C ATOM 1246 CG PRO B 20 11.865 -3.157 -6.434 1.00 0.00 C ATOM 1247 CD PRO B 20 10.493 -3.543 -6.951 1.00 0.00 C ATOM 0 HA PRO B 20 10.328 -0.343 -6.169 1.00 0.00 H new ATOM 0 HB2 PRO B 20 12.638 -1.499 -7.539 1.00 0.00 H new ATOM 0 HB3 PRO B 20 12.492 -1.209 -5.817 1.00 0.00 H new ATOM 0 HG2 PRO B 20 12.646 -3.712 -6.954 1.00 0.00 H new ATOM 0 HG3 PRO B 20 11.960 -3.391 -5.374 1.00 0.00 H new ATOM 0 HD2 PRO B 20 10.526 -3.847 -7.997 1.00 0.00 H new ATOM 0 HD3 PRO B 20 10.069 -4.376 -6.390 1.00 0.00 H new ATOM 1255 N ASN B 21 9.731 -1.068 -9.173 1.00 0.00 N ATOM 1256 CA ASN B 21 9.574 -0.530 -10.521 1.00 0.00 C ATOM 1257 C ASN B 21 8.294 0.297 -10.653 1.00 0.00 C ATOM 1258 O ASN B 21 8.153 1.068 -11.604 1.00 0.00 O ATOM 1259 CB ASN B 21 9.570 -1.685 -11.527 1.00 0.00 C ATOM 1260 CG ASN B 21 10.928 -2.390 -11.548 1.00 0.00 C ATOM 1261 OD1 ASN B 21 11.926 -1.853 -11.062 1.00 0.00 O ATOM 1262 ND2 ASN B 21 11.028 -3.572 -12.088 1.00 0.00 N ATOM 0 H ASN B 21 9.223 -1.936 -9.002 1.00 0.00 H new ATOM 0 HA ASN B 21 10.412 0.136 -10.727 1.00 0.00 H new ATOM 0 HB2 ASN B 21 8.788 -2.398 -11.266 1.00 0.00 H new ATOM 0 HB3 ASN B 21 9.336 -1.306 -12.522 1.00 0.00 H new ATOM 0 HD21 ASN B 21 11.929 -4.049 -12.107 1.00 0.00 H new ATOM 0 HD22 ASN B 21 10.205 -4.020 -12.491 1.00 0.00 H new ATOM 1269 N LEU B 22 7.365 0.143 -9.701 1.00 0.00 N ATOM 1270 CA LEU B 22 6.111 0.900 -9.744 1.00 0.00 C ATOM 1271 C LEU B 22 6.288 2.318 -9.217 1.00 0.00 C ATOM 1272 O LEU B 22 7.167 2.595 -8.399 1.00 0.00 O ATOM 1273 CB LEU B 22 5.009 0.227 -8.904 1.00 0.00 C ATOM 1274 CG LEU B 22 4.661 -1.168 -9.419 1.00 0.00 C ATOM 1275 CD1 LEU B 22 3.347 -1.636 -8.781 1.00 0.00 C ATOM 1276 CD2 LEU B 22 4.490 -1.121 -10.917 1.00 0.00 C ATOM 0 H LEU B 22 7.456 -0.488 -8.905 1.00 0.00 H new ATOM 0 HA LEU B 22 5.818 0.926 -10.794 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.337 0.158 -7.867 1.00 0.00 H new ATOM 0 HB3 LEU B 22 4.115 0.850 -8.915 1.00 0.00 H new ATOM 0 HG LEU B 22 5.463 -1.859 -9.160 1.00 0.00 H new ATOM 0 HD11 LEU B 22 3.098 -2.632 -9.148 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.459 -1.667 -7.697 1.00 0.00 H new ATOM 0 HD13 LEU B 22 2.548 -0.943 -9.043 1.00 0.00 H new ATOM 0 HD21 LEU B 22 4.242 -2.116 -11.286 1.00 0.00 H new ATOM 0 HD22 LEU B 22 3.687 -0.429 -11.170 1.00 0.00 H new ATOM 0 HD23 LEU B 22 5.418 -0.784 -11.379 1.00 0.00 H new ATOM 1288 N ASN B 23 5.398 3.193 -9.672 1.00 0.00 N ATOM 1289 CA ASN B 23 5.374 4.584 -9.239 1.00 0.00 C ATOM 1290 C ASN B 23 4.526 4.651 -7.965 1.00 0.00 C ATOM 1291 O ASN B 23 3.659 3.807 -7.766 1.00 0.00 O ATOM 1292 CB ASN B 23 4.782 5.419 -10.411 1.00 0.00 C ATOM 1293 CG ASN B 23 3.784 6.493 -9.986 1.00 0.00 C ATOM 1294 OD1 ASN B 23 3.952 7.150 -8.978 1.00 0.00 O ATOM 1295 ND2 ASN B 23 2.742 6.719 -10.737 1.00 0.00 N ATOM 0 H ASN B 23 4.674 2.958 -10.351 1.00 0.00 H new ATOM 0 HA ASN B 23 6.360 4.986 -9.004 1.00 0.00 H new ATOM 0 HB2 ASN B 23 5.601 5.896 -10.950 1.00 0.00 H new ATOM 0 HB3 ASN B 23 4.291 4.742 -11.110 1.00 0.00 H new ATOM 0 HD21 ASN B 23 2.073 7.444 -10.477 1.00 0.00 H new ATOM 0 HD22 ASN B 23 2.596 6.171 -11.585 1.00 0.00 H new ATOM 1302 N SER B 24 4.764 5.651 -7.108 1.00 0.00 N ATOM 1303 CA SER B 24 3.985 5.775 -5.870 1.00 0.00 C ATOM 1304 C SER B 24 2.509 5.932 -6.211 1.00 0.00 C ATOM 1305 O SER B 24 1.646 5.302 -5.602 1.00 0.00 O ATOM 1306 CB SER B 24 4.475 6.967 -5.048 1.00 0.00 C ATOM 1307 OG SER B 24 5.834 6.756 -4.694 1.00 0.00 O ATOM 0 H SER B 24 5.473 6.371 -7.243 1.00 0.00 H new ATOM 0 HA SER B 24 4.118 4.873 -5.272 1.00 0.00 H new ATOM 0 HB2 SER B 24 4.374 7.888 -5.623 1.00 0.00 H new ATOM 0 HB3 SER B 24 3.866 7.082 -4.152 1.00 0.00 H new ATOM 0 HG SER B 24 6.270 7.620 -4.539 1.00 0.00 H new ATOM 1313 N LEU B 25 2.247 6.746 -7.227 1.00 0.00 N ATOM 1314 CA LEU B 25 0.897 6.965 -7.712 1.00 0.00 C ATOM 1315 C LEU B 25 0.390 5.706 -8.406 1.00 0.00 C ATOM 1316 O LEU B 25 -0.783 5.355 -8.276 1.00 0.00 O ATOM 1317 CB LEU B 25 0.854 8.158 -8.678 1.00 0.00 C ATOM 1318 CG LEU B 25 0.049 9.296 -8.076 1.00 0.00 C ATOM 1319 CD1 LEU B 25 -0.024 10.468 -9.065 1.00 0.00 C ATOM 1320 CD2 LEU B 25 -1.354 8.788 -7.761 1.00 0.00 C ATOM 0 H LEU B 25 2.962 7.268 -7.733 1.00 0.00 H new ATOM 0 HA LEU B 25 0.252 7.191 -6.863 1.00 0.00 H new ATOM 0 HB2 LEU B 25 1.867 8.496 -8.895 1.00 0.00 H new ATOM 0 HB3 LEU B 25 0.411 7.852 -9.625 1.00 0.00 H new ATOM 0 HG LEU B 25 0.528 9.646 -7.162 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.603 11.280 -8.625 1.00 0.00 H new ATOM 0 HD12 LEU B 25 0.983 10.820 -9.287 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.504 10.137 -9.986 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -1.944 9.595 -7.328 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -1.830 8.442 -8.678 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -1.291 7.963 -7.052 1.00 0.00 H new ATOM 1332 N GLN B 26 1.290 5.005 -9.115 1.00 0.00 N ATOM 1333 CA GLN B 26 0.902 3.756 -9.782 1.00 0.00 C ATOM 1334 C GLN B 26 0.509 2.743 -8.727 1.00 0.00 C ATOM 1335 O GLN B 26 -0.425 1.961 -8.892 1.00 0.00 O ATOM 1336 CB GLN B 26 2.073 3.158 -10.563 1.00 0.00 C ATOM 1337 CG GLN B 26 2.007 3.510 -12.054 1.00 0.00 C ATOM 1338 CD GLN B 26 3.218 2.917 -12.767 1.00 0.00 C ATOM 1339 OE1 GLN B 26 3.401 3.131 -13.965 1.00 0.00 O ATOM 1340 NE2 GLN B 26 4.055 2.166 -12.102 1.00 0.00 N ATOM 0 H GLN B 26 2.266 5.274 -9.238 1.00 0.00 H new ATOM 0 HA GLN B 26 0.081 3.979 -10.464 1.00 0.00 H new ATOM 0 HB2 GLN B 26 3.011 3.523 -10.145 1.00 0.00 H new ATOM 0 HB3 GLN B 26 2.072 2.074 -10.446 1.00 0.00 H new ATOM 0 HG2 GLN B 26 1.087 3.121 -12.491 1.00 0.00 H new ATOM 0 HG3 GLN B 26 1.989 4.592 -12.183 1.00 0.00 H new ATOM 0 HE21 GLN B 26 3.903 1.989 -11.109 1.00 0.00 H new ATOM 0 HE22 GLN B 26 4.860 1.757 -12.576 1.00 0.00 H new ATOM 1349 N VAL B 27 1.258 2.784 -7.640 1.00 0.00 N ATOM 1350 CA VAL B 27 1.047 1.897 -6.521 1.00 0.00 C ATOM 1351 C VAL B 27 -0.296 2.191 -5.896 1.00 0.00 C ATOM 1352 O VAL B 27 -1.074 1.281 -5.642 1.00 0.00 O ATOM 1353 CB VAL B 27 2.221 2.048 -5.547 1.00 0.00 C ATOM 1354 CG1 VAL B 27 1.910 1.414 -4.188 1.00 0.00 C ATOM 1355 CG2 VAL B 27 3.434 1.351 -6.177 1.00 0.00 C ATOM 0 H VAL B 27 2.031 3.437 -7.512 1.00 0.00 H new ATOM 0 HA VAL B 27 1.021 0.854 -6.836 1.00 0.00 H new ATOM 0 HB VAL B 27 2.416 3.106 -5.373 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.765 1.540 -3.523 1.00 0.00 H new ATOM 0 HG12 VAL B 27 1.036 1.899 -3.752 1.00 0.00 H new ATOM 0 HG13 VAL B 27 1.707 0.351 -4.320 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.291 1.439 -5.509 1.00 0.00 H new ATOM 0 HG22 VAL B 27 3.205 0.297 -6.338 1.00 0.00 H new ATOM 0 HG23 VAL B 27 3.668 1.821 -7.132 1.00 0.00 H new ATOM 1365 N VAL B 28 -0.587 3.472 -5.727 1.00 0.00 N ATOM 1366 CA VAL B 28 -1.868 3.888 -5.213 1.00 0.00 C ATOM 1367 C VAL B 28 -2.954 3.398 -6.173 1.00 0.00 C ATOM 1368 O VAL B 28 -4.048 3.045 -5.755 1.00 0.00 O ATOM 1369 CB VAL B 28 -1.920 5.417 -5.081 1.00 0.00 C ATOM 1370 CG1 VAL B 28 -3.303 5.828 -4.569 1.00 0.00 C ATOM 1371 CG2 VAL B 28 -0.833 5.894 -4.098 1.00 0.00 C ATOM 0 H VAL B 28 0.053 4.237 -5.941 1.00 0.00 H new ATOM 0 HA VAL B 28 -2.028 3.461 -4.223 1.00 0.00 H new ATOM 0 HB VAL B 28 -1.740 5.875 -6.053 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.348 6.913 -4.473 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.065 5.495 -5.273 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.482 5.370 -3.596 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -0.875 6.980 -4.008 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -1.003 5.442 -3.121 1.00 0.00 H new ATOM 0 HG23 VAL B 28 0.148 5.598 -4.469 1.00 0.00 H new ATOM 1381 N ALA B 29 -2.623 3.370 -7.469 1.00 0.00 N ATOM 1382 CA ALA B 29 -3.554 2.911 -8.490 1.00 0.00 C ATOM 1383 C ALA B 29 -3.972 1.482 -8.184 1.00 0.00 C ATOM 1384 O ALA B 29 -5.158 1.141 -8.242 1.00 0.00 O ATOM 1385 CB ALA B 29 -2.876 2.968 -9.869 1.00 0.00 C ATOM 0 H ALA B 29 -1.715 3.662 -7.830 1.00 0.00 H new ATOM 0 HA ALA B 29 -4.434 3.554 -8.496 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -3.574 2.624 -10.632 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -2.578 3.994 -10.086 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -1.995 2.327 -9.868 1.00 0.00 H new ATOM 1391 N PHE B 30 -2.985 0.658 -7.837 1.00 0.00 N ATOM 1392 CA PHE B 30 -3.229 -0.708 -7.505 1.00 0.00 C ATOM 1393 C PHE B 30 -3.874 -0.813 -6.130 1.00 0.00 C ATOM 1394 O PHE B 30 -4.858 -1.517 -5.981 1.00 0.00 O ATOM 1395 CB PHE B 30 -1.895 -1.462 -7.576 1.00 0.00 C ATOM 1396 CG PHE B 30 -1.377 -1.412 -9.004 1.00 0.00 C ATOM 1397 CD1 PHE B 30 -2.176 -1.873 -10.067 1.00 0.00 C ATOM 1398 CD2 PHE B 30 -0.112 -0.863 -9.278 1.00 0.00 C ATOM 1399 CE1 PHE B 30 -1.709 -1.787 -11.376 1.00 0.00 C ATOM 1400 CE2 PHE B 30 0.341 -0.777 -10.589 1.00 0.00 C ATOM 1401 CZ PHE B 30 -0.457 -1.238 -11.638 1.00 0.00 C ATOM 0 H PHE B 30 -2.005 0.935 -7.784 1.00 0.00 H new ATOM 0 HA PHE B 30 -3.927 -1.157 -8.211 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -1.171 -1.012 -6.896 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -2.029 -2.496 -7.260 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -3.151 -2.293 -9.868 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.508 -0.508 -8.469 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -2.320 -2.147 -12.190 1.00 0.00 H new ATOM 0 HE2 PHE B 30 1.312 -0.353 -10.797 1.00 0.00 H new ATOM 0 HZ PHE B 30 -0.102 -1.168 -12.656 1.00 0.00 H new ATOM 1411 N ILE B 31 -3.354 -0.072 -5.141 1.00 0.00 N ATOM 1412 CA ILE B 31 -3.931 -0.111 -3.791 1.00 0.00 C ATOM 1413 C ILE B 31 -5.401 0.283 -3.852 1.00 0.00 C ATOM 1414 O ILE B 31 -6.261 -0.393 -3.291 1.00 0.00 O ATOM 1415 CB ILE B 31 -3.179 0.846 -2.847 1.00 0.00 C ATOM 1416 CG1 ILE B 31 -1.703 0.427 -2.718 1.00 0.00 C ATOM 1417 CG2 ILE B 31 -3.824 0.804 -1.455 1.00 0.00 C ATOM 1418 CD1 ILE B 31 -0.905 1.591 -2.117 1.00 0.00 C ATOM 0 H ILE B 31 -2.552 0.549 -5.246 1.00 0.00 H new ATOM 0 HA ILE B 31 -3.837 -1.125 -3.403 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.234 1.853 -3.260 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -1.616 -0.456 -2.085 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -1.301 0.159 -3.695 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -3.292 1.481 -0.787 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -4.867 1.112 -1.528 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -3.772 -0.211 -1.060 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.142 1.303 -2.022 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -0.985 2.461 -2.768 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.305 1.837 -1.133 1.00 0.00 H new ATOM 1430 N ASN B 32 -5.678 1.357 -4.567 1.00 0.00 N ATOM 1431 CA ASN B 32 -7.040 1.824 -4.743 1.00 0.00 C ATOM 1432 C ASN B 32 -7.879 0.745 -5.429 1.00 0.00 C ATOM 1433 O ASN B 32 -9.080 0.649 -5.191 1.00 0.00 O ATOM 1434 CB ASN B 32 -7.038 3.097 -5.589 1.00 0.00 C ATOM 1435 CG ASN B 32 -8.414 3.750 -5.598 1.00 0.00 C ATOM 1436 OD1 ASN B 32 -9.234 3.523 -4.707 1.00 0.00 O ATOM 1437 ND2 ASN B 32 -8.707 4.561 -6.566 1.00 0.00 N ATOM 0 H ASN B 32 -4.974 1.925 -5.038 1.00 0.00 H new ATOM 0 HA ASN B 32 -7.474 2.040 -3.767 1.00 0.00 H new ATOM 0 HB2 ASN B 32 -6.302 3.798 -5.196 1.00 0.00 H new ATOM 0 HB3 ASN B 32 -6.738 2.859 -6.610 1.00 0.00 H new ATOM 0 HD21 ASN B 32 -9.620 5.015 -6.592 1.00 0.00 H new ATOM 0 HD22 ASN B 32 -8.024 4.745 -7.301 1.00 0.00 H new ATOM 1444 N SER B 33 -7.231 -0.078 -6.269 1.00 0.00 N ATOM 1445 CA SER B 33 -7.917 -1.144 -6.956 1.00 0.00 C ATOM 1446 C SER B 33 -8.112 -2.317 -5.995 1.00 0.00 C ATOM 1447 O SER B 33 -9.109 -3.033 -6.086 1.00 0.00 O ATOM 1448 CB SER B 33 -7.179 -1.514 -8.239 1.00 0.00 C ATOM 1449 OG SER B 33 -7.505 -0.570 -9.251 1.00 0.00 O ATOM 0 H SER B 33 -6.235 -0.012 -6.478 1.00 0.00 H new ATOM 0 HA SER B 33 -8.909 -0.821 -7.271 1.00 0.00 H new ATOM 0 HB2 SER B 33 -6.103 -1.522 -8.065 1.00 0.00 H new ATOM 0 HB3 SER B 33 -7.458 -2.518 -8.557 1.00 0.00 H new ATOM 0 HG SER B 33 -6.884 0.186 -9.205 1.00 0.00 H new ATOM 1455 N LEU B 34 -7.194 -2.458 -5.013 1.00 0.00 N ATOM 1456 CA LEU B 34 -7.353 -3.494 -3.981 1.00 0.00 C ATOM 1457 C LEU B 34 -8.640 -3.130 -3.255 1.00 0.00 C ATOM 1458 O LEU B 34 -9.499 -3.966 -2.981 1.00 0.00 O ATOM 1459 CB LEU B 34 -6.164 -3.480 -2.983 1.00 0.00 C ATOM 1460 CG LEU B 34 -4.835 -3.688 -3.731 1.00 0.00 C ATOM 1461 CD1 LEU B 34 -3.638 -3.560 -2.803 1.00 0.00 C ATOM 1462 CD2 LEU B 34 -4.816 -5.065 -4.327 1.00 0.00 C ATOM 0 H LEU B 34 -6.358 -1.882 -4.917 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.383 -4.492 -4.419 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.142 -2.532 -2.446 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -6.296 -4.265 -2.238 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.765 -2.919 -4.501 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -2.720 -3.714 -3.370 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -3.627 -2.565 -2.358 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -3.707 -4.309 -2.015 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.877 -5.219 -4.858 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.909 -5.806 -3.533 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -5.648 -5.172 -5.023 1.00 0.00 H new ATOM 1474 N ARG B 35 -8.752 -1.824 -3.032 1.00 0.00 N ATOM 1475 CA ARG B 35 -9.934 -1.200 -2.417 1.00 0.00 C ATOM 1476 C ARG B 35 -11.169 -1.450 -3.278 1.00 0.00 C ATOM 1477 O ARG B 35 -12.220 -1.852 -2.778 1.00 0.00 O ATOM 1478 CB ARG B 35 -9.684 0.322 -2.338 1.00 0.00 C ATOM 1479 CG ARG B 35 -9.973 0.878 -0.933 1.00 0.00 C ATOM 1480 CD ARG B 35 -8.840 1.823 -0.508 1.00 0.00 C ATOM 1481 NE ARG B 35 -8.610 1.729 0.928 1.00 0.00 N ATOM 1482 CZ ARG B 35 -9.423 2.321 1.793 1.00 0.00 C ATOM 1483 NH1 ARG B 35 -10.461 1.682 2.251 1.00 0.00 N ATOM 1484 NH2 ARG B 35 -9.184 3.540 2.183 1.00 0.00 N ATOM 0 H ARG B 35 -8.020 -1.156 -3.274 1.00 0.00 H new ATOM 0 HA ARG B 35 -10.100 -1.623 -1.426 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -8.649 0.534 -2.607 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -10.314 0.832 -3.067 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -10.924 1.411 -0.931 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -10.064 0.059 -0.219 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -7.926 1.570 -1.046 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -9.094 2.849 -0.775 1.00 0.00 H new ATOM 0 HE ARG B 35 -7.810 1.199 1.274 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -10.648 0.727 1.945 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -11.087 2.136 2.916 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -8.371 4.040 1.823 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -9.810 3.995 2.848 1.00 0.00 H new ATOM 1498 N ASP B 36 -11.013 -1.200 -4.576 1.00 0.00 N ATOM 1499 CA ASP B 36 -12.091 -1.379 -5.542 1.00 0.00 C ATOM 1500 C ASP B 36 -12.552 -2.834 -5.583 1.00 0.00 C ATOM 1501 O ASP B 36 -13.744 -3.112 -5.728 1.00 0.00 O ATOM 1502 CB ASP B 36 -11.598 -0.952 -6.932 1.00 0.00 C ATOM 1503 CG ASP B 36 -11.286 0.555 -6.981 1.00 0.00 C ATOM 1504 OD1 ASP B 36 -11.803 1.293 -6.153 1.00 0.00 O ATOM 1505 OD2 ASP B 36 -10.525 0.949 -7.849 1.00 0.00 O ATOM 0 H ASP B 36 -10.139 -0.869 -4.985 1.00 0.00 H new ATOM 0 HA ASP B 36 -12.938 -0.762 -5.241 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -10.704 -1.519 -7.192 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -12.356 -1.192 -7.678 1.00 0.00 H new ATOM 1510 N ASP B 37 -11.595 -3.751 -5.455 1.00 0.00 N ATOM 1511 CA ASP B 37 -11.894 -5.178 -5.483 1.00 0.00 C ATOM 1512 C ASP B 37 -10.909 -5.956 -4.625 1.00 0.00 C ATOM 1513 O ASP B 37 -9.836 -6.354 -5.091 1.00 0.00 O ATOM 1514 CB ASP B 37 -11.854 -5.700 -6.926 1.00 0.00 C ATOM 1515 CG ASP B 37 -13.271 -5.824 -7.481 1.00 0.00 C ATOM 1516 OD1 ASP B 37 -13.871 -6.872 -7.291 1.00 0.00 O ATOM 1517 OD2 ASP B 37 -13.737 -4.871 -8.083 1.00 0.00 O ATOM 0 H ASP B 37 -10.607 -3.530 -5.331 1.00 0.00 H new ATOM 0 HA ASP B 37 -12.895 -5.322 -5.077 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -11.269 -5.023 -7.549 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -11.358 -6.670 -6.956 1.00 0.00 H new ATOM 1522 N PRO B 38 -11.267 -6.202 -3.388 1.00 0.00 N ATOM 1523 CA PRO B 38 -10.412 -6.980 -2.466 1.00 0.00 C ATOM 1524 C PRO B 38 -10.268 -8.420 -2.942 1.00 0.00 C ATOM 1525 O PRO B 38 -9.246 -9.068 -2.708 1.00 0.00 O ATOM 1526 CB PRO B 38 -11.123 -6.933 -1.120 1.00 0.00 C ATOM 1527 CG PRO B 38 -12.366 -6.113 -1.280 1.00 0.00 C ATOM 1528 CD PRO B 38 -12.523 -5.766 -2.756 1.00 0.00 C ATOM 0 HA PRO B 38 -9.404 -6.568 -2.411 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -11.372 -7.940 -0.785 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -10.474 -6.496 -0.361 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -13.235 -6.667 -0.926 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -12.302 -5.205 -0.681 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -13.382 -6.277 -3.192 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -12.684 -4.697 -2.895 1.00 0.00 H new ATOM 1536 N SER B 39 -11.305 -8.898 -3.632 1.00 0.00 N ATOM 1537 CA SER B 39 -11.311 -10.247 -4.171 1.00 0.00 C ATOM 1538 C SER B 39 -10.282 -10.345 -5.283 1.00 0.00 C ATOM 1539 O SER B 39 -9.583 -11.353 -5.410 1.00 0.00 O ATOM 1540 CB SER B 39 -12.706 -10.588 -4.703 1.00 0.00 C ATOM 1541 OG SER B 39 -13.083 -9.640 -5.696 1.00 0.00 O ATOM 0 H SER B 39 -12.152 -8.364 -3.828 1.00 0.00 H new ATOM 0 HA SER B 39 -11.057 -10.958 -3.385 1.00 0.00 H new ATOM 0 HB2 SER B 39 -12.710 -11.593 -5.125 1.00 0.00 H new ATOM 0 HB3 SER B 39 -13.429 -10.582 -3.887 1.00 0.00 H new ATOM 0 HG SER B 39 -14.005 -9.812 -5.979 1.00 0.00 H new ATOM 1547 N GLN B 40 -10.179 -9.268 -6.069 1.00 0.00 N ATOM 1548 CA GLN B 40 -9.221 -9.212 -7.152 1.00 0.00 C ATOM 1549 C GLN B 40 -7.999 -8.422 -6.725 1.00 0.00 C ATOM 1550 O GLN B 40 -7.279 -7.897 -7.570 1.00 0.00 O ATOM 1551 CB GLN B 40 -9.825 -8.604 -8.431 1.00 0.00 C ATOM 1552 CG GLN B 40 -11.340 -8.859 -8.503 1.00 0.00 C ATOM 1553 CD GLN B 40 -11.612 -10.342 -8.754 1.00 0.00 C ATOM 1554 OE1 GLN B 40 -11.114 -10.912 -9.725 1.00 0.00 O ATOM 1555 NE2 GLN B 40 -12.374 -11.005 -7.932 1.00 0.00 N ATOM 0 H GLN B 40 -10.751 -8.430 -5.967 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.931 -10.237 -7.385 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -9.632 -7.531 -8.454 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -9.339 -9.034 -9.307 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.814 -8.547 -7.572 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.780 -8.261 -9.301 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -12.787 -10.534 -7.127 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -12.558 -11.995 -8.093 1.00 0.00 H new ATOM 1564 N SER B 41 -7.740 -8.351 -5.409 1.00 0.00 N ATOM 1565 CA SER B 41 -6.567 -7.642 -4.933 1.00 0.00 C ATOM 1566 C SER B 41 -5.336 -8.198 -5.628 1.00 0.00 C ATOM 1567 O SER B 41 -4.378 -7.482 -5.897 1.00 0.00 O ATOM 1568 CB SER B 41 -6.425 -7.830 -3.426 1.00 0.00 C ATOM 1569 OG SER B 41 -7.288 -6.928 -2.757 1.00 0.00 O ATOM 0 H SER B 41 -8.318 -8.769 -4.680 1.00 0.00 H new ATOM 0 HA SER B 41 -6.670 -6.579 -5.153 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.670 -8.856 -3.152 1.00 0.00 H new ATOM 0 HB3 SER B 41 -5.393 -7.656 -3.122 1.00 0.00 H new ATOM 0 HG SER B 41 -7.763 -6.380 -3.416 1.00 0.00 H new ATOM 1575 N ALA B 42 -5.407 -9.485 -5.927 1.00 0.00 N ATOM 1576 CA ALA B 42 -4.347 -10.194 -6.615 1.00 0.00 C ATOM 1577 C ALA B 42 -4.296 -9.804 -8.094 1.00 0.00 C ATOM 1578 O ALA B 42 -3.258 -9.933 -8.735 1.00 0.00 O ATOM 1579 CB ALA B 42 -4.620 -11.691 -6.507 1.00 0.00 C ATOM 0 H ALA B 42 -6.210 -10.070 -5.696 1.00 0.00 H new ATOM 0 HA ALA B 42 -3.392 -9.936 -6.157 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -3.832 -12.242 -7.020 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -4.642 -11.982 -5.457 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -5.581 -11.920 -6.967 1.00 0.00 H new ATOM 1585 N ASN B 43 -5.448 -9.371 -8.624 1.00 0.00 N ATOM 1586 CA ASN B 43 -5.589 -9.003 -10.028 1.00 0.00 C ATOM 1587 C ASN B 43 -4.877 -7.717 -10.383 1.00 0.00 C ATOM 1588 O ASN B 43 -4.062 -7.688 -11.297 1.00 0.00 O ATOM 1589 CB ASN B 43 -7.053 -8.827 -10.324 1.00 0.00 C ATOM 1590 CG ASN B 43 -7.308 -8.856 -11.829 1.00 0.00 C ATOM 1591 OD1 ASN B 43 -7.890 -9.810 -12.343 1.00 0.00 O ATOM 1592 ND2 ASN B 43 -6.893 -7.866 -12.571 1.00 0.00 N ATOM 0 H ASN B 43 -6.307 -9.268 -8.084 1.00 0.00 H new ATOM 0 HA ASN B 43 -5.137 -9.799 -10.619 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -7.625 -9.618 -9.838 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -7.402 -7.881 -9.909 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -7.051 -7.883 -13.579 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -6.411 -7.076 -12.143 1.00 0.00 H new ATOM 1599 N LEU B 44 -5.183 -6.652 -9.652 1.00 0.00 N ATOM 1600 CA LEU B 44 -4.550 -5.388 -9.904 1.00 0.00 C ATOM 1601 C LEU B 44 -3.120 -5.490 -9.403 1.00 0.00 C ATOM 1602 O LEU B 44 -2.212 -4.858 -9.922 1.00 0.00 O ATOM 1603 CB LEU B 44 -5.371 -4.189 -9.347 1.00 0.00 C ATOM 1604 CG LEU B 44 -5.445 -4.119 -7.826 1.00 0.00 C ATOM 1605 CD1 LEU B 44 -6.337 -5.216 -7.302 1.00 0.00 C ATOM 1606 CD2 LEU B 44 -4.066 -4.157 -7.201 1.00 0.00 C ATOM 0 H LEU B 44 -5.861 -6.649 -8.890 1.00 0.00 H new ATOM 0 HA LEU B 44 -4.517 -5.169 -10.971 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -4.933 -3.263 -9.719 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.385 -4.245 -9.744 1.00 0.00 H new ATOM 0 HG LEU B 44 -5.885 -3.163 -7.542 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -6.384 -5.158 -6.215 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -7.339 -5.099 -7.715 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -5.934 -6.185 -7.597 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.157 -4.105 -6.116 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.566 -5.085 -7.479 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.482 -3.309 -7.557 1.00 0.00 H new ATOM 1618 N LEU B 45 -2.929 -6.366 -8.418 1.00 0.00 N ATOM 1619 CA LEU B 45 -1.608 -6.643 -7.904 1.00 0.00 C ATOM 1620 C LEU B 45 -0.864 -7.307 -9.040 1.00 0.00 C ATOM 1621 O LEU B 45 0.310 -7.055 -9.296 1.00 0.00 O ATOM 1622 CB LEU B 45 -1.713 -7.590 -6.700 1.00 0.00 C ATOM 1623 CG LEU B 45 -0.406 -8.359 -6.490 1.00 0.00 C ATOM 1624 CD1 LEU B 45 0.747 -7.375 -6.331 1.00 0.00 C ATOM 1625 CD2 LEU B 45 -0.520 -9.244 -5.236 1.00 0.00 C ATOM 0 H LEU B 45 -3.678 -6.891 -7.966 1.00 0.00 H new ATOM 0 HA LEU B 45 -1.096 -5.742 -7.567 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -1.951 -7.018 -5.803 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -2.531 -8.293 -6.856 1.00 0.00 H new ATOM 0 HG LEU B 45 -0.216 -8.993 -7.356 1.00 0.00 H new ATOM 0 HD11 LEU B 45 1.676 -7.925 -6.182 1.00 0.00 H new ATOM 0 HD12 LEU B 45 0.828 -6.762 -7.228 1.00 0.00 H new ATOM 0 HD13 LEU B 45 0.562 -6.734 -5.469 1.00 0.00 H new ATOM 0 HD21 LEU B 45 0.412 -9.790 -5.090 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -0.714 -8.618 -4.365 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -1.339 -9.952 -5.364 1.00 0.00 H new ATOM 1637 N ALA B 46 -1.618 -8.122 -9.756 1.00 0.00 N ATOM 1638 CA ALA B 46 -1.098 -8.803 -10.917 1.00 0.00 C ATOM 1639 C ALA B 46 -0.702 -7.734 -11.920 1.00 0.00 C ATOM 1640 O ALA B 46 0.386 -7.763 -12.488 1.00 0.00 O ATOM 1641 CB ALA B 46 -2.170 -9.727 -11.516 1.00 0.00 C ATOM 0 H ALA B 46 -2.596 -8.326 -9.549 1.00 0.00 H new ATOM 0 HA ALA B 46 -0.240 -9.421 -10.653 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.765 -10.235 -12.391 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.469 -10.467 -10.773 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -3.038 -9.136 -11.809 1.00 0.00 H new ATOM 1647 N GLU B 47 -1.597 -6.755 -12.071 1.00 0.00 N ATOM 1648 CA GLU B 47 -1.365 -5.624 -12.947 1.00 0.00 C ATOM 1649 C GLU B 47 -0.137 -4.858 -12.477 1.00 0.00 C ATOM 1650 O GLU B 47 0.594 -4.284 -13.278 1.00 0.00 O ATOM 1651 CB GLU B 47 -2.562 -4.658 -12.912 1.00 0.00 C ATOM 1652 CG GLU B 47 -3.829 -5.300 -13.467 1.00 0.00 C ATOM 1653 CD GLU B 47 -3.609 -5.826 -14.887 1.00 0.00 C ATOM 1654 OE1 GLU B 47 -3.243 -5.037 -15.744 1.00 0.00 O ATOM 1655 OE2 GLU B 47 -3.798 -7.013 -15.093 1.00 0.00 O ATOM 0 H GLU B 47 -2.495 -6.731 -11.589 1.00 0.00 H new ATOM 0 HA GLU B 47 -1.223 -6.003 -13.959 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -2.738 -4.336 -11.886 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -2.325 -3.765 -13.490 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -4.139 -6.119 -12.818 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -4.639 -4.570 -13.468 1.00 0.00 H new ATOM 1662 N ALA B 48 0.049 -4.834 -11.158 1.00 0.00 N ATOM 1663 CA ALA B 48 1.147 -4.118 -10.543 1.00 0.00 C ATOM 1664 C ALA B 48 2.467 -4.790 -10.793 1.00 0.00 C ATOM 1665 O ALA B 48 3.418 -4.155 -11.205 1.00 0.00 O ATOM 1666 CB ALA B 48 0.915 -4.113 -9.046 1.00 0.00 C ATOM 0 H ALA B 48 -0.560 -5.312 -10.494 1.00 0.00 H new ATOM 0 HA ALA B 48 1.182 -3.115 -10.967 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.728 -3.579 -8.554 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -0.030 -3.617 -8.826 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.880 -5.139 -8.680 1.00 0.00 H new ATOM 1672 N LYS B 49 2.502 -6.086 -10.551 1.00 0.00 N ATOM 1673 CA LYS B 49 3.706 -6.855 -10.767 1.00 0.00 C ATOM 1674 C LYS B 49 4.023 -6.812 -12.251 1.00 0.00 C ATOM 1675 O LYS B 49 5.173 -6.681 -12.643 1.00 0.00 O ATOM 1676 CB LYS B 49 3.488 -8.269 -10.228 1.00 0.00 C ATOM 1677 CG LYS B 49 3.487 -8.255 -8.695 1.00 0.00 C ATOM 1678 CD LYS B 49 3.381 -9.695 -8.173 1.00 0.00 C ATOM 1679 CE LYS B 49 2.006 -10.287 -8.525 1.00 0.00 C ATOM 1680 NZ LYS B 49 1.493 -11.080 -7.373 1.00 0.00 N ATOM 0 H LYS B 49 1.709 -6.626 -10.205 1.00 0.00 H new ATOM 0 HA LYS B 49 4.565 -6.447 -10.234 1.00 0.00 H new ATOM 0 HB2 LYS B 49 2.542 -8.665 -10.596 1.00 0.00 H new ATOM 0 HB3 LYS B 49 4.274 -8.931 -10.593 1.00 0.00 H new ATOM 0 HG2 LYS B 49 4.399 -7.788 -8.324 1.00 0.00 H new ATOM 0 HG3 LYS B 49 2.651 -7.660 -8.326 1.00 0.00 H new ATOM 0 HD2 LYS B 49 4.171 -10.307 -8.609 1.00 0.00 H new ATOM 0 HD3 LYS B 49 3.526 -9.710 -7.093 1.00 0.00 H new ATOM 0 HE2 LYS B 49 1.306 -9.488 -8.769 1.00 0.00 H new ATOM 0 HE3 LYS B 49 2.087 -10.921 -9.408 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 0.453 -11.064 -7.376 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 1.824 -12.063 -7.453 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 1.843 -10.668 -6.485 1.00 0.00 H new ATOM 1694 N LYS B 50 2.970 -6.827 -13.061 1.00 0.00 N ATOM 1695 CA LYS B 50 3.115 -6.698 -14.503 1.00 0.00 C ATOM 1696 C LYS B 50 3.618 -5.306 -14.845 1.00 0.00 C ATOM 1697 O LYS B 50 4.420 -5.143 -15.755 1.00 0.00 O ATOM 1698 CB LYS B 50 1.787 -6.932 -15.206 1.00 0.00 C ATOM 1699 CG LYS B 50 1.481 -8.439 -15.273 1.00 0.00 C ATOM 1700 CD LYS B 50 0.373 -8.708 -16.301 1.00 0.00 C ATOM 1701 CE LYS B 50 -0.941 -8.048 -15.862 1.00 0.00 C ATOM 1702 NZ LYS B 50 -0.992 -6.652 -16.383 1.00 0.00 N ATOM 0 H LYS B 50 2.007 -6.927 -12.741 1.00 0.00 H new ATOM 0 HA LYS B 50 3.830 -7.448 -14.841 1.00 0.00 H new ATOM 0 HB2 LYS B 50 0.989 -6.415 -14.674 1.00 0.00 H new ATOM 0 HB3 LYS B 50 1.821 -6.515 -16.213 1.00 0.00 H new ATOM 0 HG2 LYS B 50 2.382 -8.989 -15.546 1.00 0.00 H new ATOM 0 HG3 LYS B 50 1.172 -8.799 -14.292 1.00 0.00 H new ATOM 0 HD2 LYS B 50 0.672 -8.323 -17.276 1.00 0.00 H new ATOM 0 HD3 LYS B 50 0.227 -9.782 -16.414 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -1.791 -8.619 -16.237 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -1.014 -8.045 -14.774 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -1.975 -6.404 -16.615 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -0.632 -5.998 -15.659 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -0.405 -6.579 -17.239 1.00 0.00 H new ATOM 1716 N LEU B 51 3.141 -4.301 -14.106 1.00 0.00 N ATOM 1717 CA LEU B 51 3.575 -2.926 -14.344 1.00 0.00 C ATOM 1718 C LEU B 51 5.008 -2.778 -13.909 1.00 0.00 C ATOM 1719 O LEU B 51 5.818 -2.144 -14.583 1.00 0.00 O ATOM 1720 CB LEU B 51 2.696 -1.932 -13.580 1.00 0.00 C ATOM 1721 CG LEU B 51 1.821 -1.166 -14.566 1.00 0.00 C ATOM 1722 CD1 LEU B 51 2.703 -0.200 -15.370 1.00 0.00 C ATOM 1723 CD2 LEU B 51 1.099 -2.156 -15.500 1.00 0.00 C ATOM 0 H LEU B 51 2.465 -4.412 -13.350 1.00 0.00 H new ATOM 0 HA LEU B 51 3.484 -2.710 -15.408 1.00 0.00 H new ATOM 0 HB2 LEU B 51 2.073 -2.461 -12.859 1.00 0.00 H new ATOM 0 HB3 LEU B 51 3.319 -1.239 -13.015 1.00 0.00 H new ATOM 0 HG LEU B 51 1.065 -0.593 -14.029 1.00 0.00 H new ATOM 0 HD11 LEU B 51 2.086 0.353 -16.078 1.00 0.00 H new ATOM 0 HD12 LEU B 51 3.190 0.499 -14.690 1.00 0.00 H new ATOM 0 HD13 LEU B 51 3.460 -0.765 -15.913 1.00 0.00 H new ATOM 0 HD21 LEU B 51 0.475 -1.604 -16.203 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.836 -2.740 -16.051 1.00 0.00 H new ATOM 0 HD23 LEU B 51 0.474 -2.825 -14.908 1.00 0.00 H new ATOM 1735 N ASN B 52 5.313 -3.421 -12.798 1.00 0.00 N ATOM 1736 CA ASN B 52 6.665 -3.423 -12.284 1.00 0.00 C ATOM 1737 C ASN B 52 7.517 -4.082 -13.339 1.00 0.00 C ATOM 1738 O ASN B 52 8.610 -3.627 -13.666 1.00 0.00 O ATOM 1739 CB ASN B 52 6.720 -4.191 -10.949 1.00 0.00 C ATOM 1740 CG ASN B 52 7.621 -5.425 -11.024 1.00 0.00 C ATOM 1741 OD1 ASN B 52 7.142 -6.556 -10.996 1.00 0.00 O ATOM 1742 ND2 ASN B 52 8.901 -5.271 -11.111 1.00 0.00 N ATOM 0 H ASN B 52 4.643 -3.947 -12.237 1.00 0.00 H new ATOM 0 HA ASN B 52 7.025 -2.415 -12.080 1.00 0.00 H new ATOM 0 HB2 ASN B 52 7.083 -3.526 -10.165 1.00 0.00 H new ATOM 0 HB3 ASN B 52 5.712 -4.496 -10.667 1.00 0.00 H new ATOM 0 HD21 ASN B 52 9.511 -6.087 -11.156 1.00 0.00 H new ATOM 0 HD22 ASN B 52 9.301 -4.333 -11.134 1.00 0.00 H new ATOM 1749 N ASP B 53 6.946 -5.144 -13.889 1.00 0.00 N ATOM 1750 CA ASP B 53 7.596 -5.887 -14.962 1.00 0.00 C ATOM 1751 C ASP B 53 7.690 -5.012 -16.211 1.00 0.00 C ATOM 1752 O ASP B 53 8.662 -5.080 -16.964 1.00 0.00 O ATOM 1753 CB ASP B 53 6.813 -7.169 -15.289 1.00 0.00 C ATOM 1754 CG ASP B 53 6.875 -8.179 -14.132 1.00 0.00 C ATOM 1755 OD1 ASP B 53 7.807 -8.116 -13.342 1.00 0.00 O ATOM 1756 OD2 ASP B 53 5.984 -9.010 -14.059 1.00 0.00 O ATOM 0 H ASP B 53 6.036 -5.511 -13.611 1.00 0.00 H new ATOM 0 HA ASP B 53 8.597 -6.165 -14.632 1.00 0.00 H new ATOM 0 HB2 ASP B 53 5.773 -6.918 -15.498 1.00 0.00 H new ATOM 0 HB3 ASP B 53 7.219 -7.624 -16.192 1.00 0.00 H new ATOM 1761 N ALA B 54 6.656 -4.193 -16.414 1.00 0.00 N ATOM 1762 CA ALA B 54 6.586 -3.298 -17.560 1.00 0.00 C ATOM 1763 C ALA B 54 7.671 -2.230 -17.477 1.00 0.00 C ATOM 1764 O ALA B 54 8.275 -1.867 -18.488 1.00 0.00 O ATOM 1765 CB ALA B 54 5.207 -2.638 -17.599 1.00 0.00 C ATOM 0 H ALA B 54 5.851 -4.135 -15.790 1.00 0.00 H new ATOM 0 HA ALA B 54 6.745 -3.875 -18.471 1.00 0.00 H new ATOM 0 HB1 ALA B 54 5.149 -1.966 -18.456 1.00 0.00 H new ATOM 0 HB2 ALA B 54 4.438 -3.406 -17.687 1.00 0.00 H new ATOM 0 HB3 ALA B 54 5.049 -2.071 -16.682 1.00 0.00 H new ATOM 1771 N GLN B 55 7.915 -1.740 -16.261 1.00 0.00 N ATOM 1772 CA GLN B 55 8.930 -0.720 -16.033 1.00 0.00 C ATOM 1773 C GLN B 55 10.287 -1.352 -15.730 1.00 0.00 C ATOM 1774 O GLN B 55 11.300 -0.655 -15.653 1.00 0.00 O ATOM 1775 CB GLN B 55 8.493 0.154 -14.877 1.00 0.00 C ATOM 1776 CG GLN B 55 7.240 0.938 -15.273 1.00 0.00 C ATOM 1777 CD GLN B 55 6.424 1.250 -14.032 1.00 0.00 C ATOM 1778 OE1 GLN B 55 6.222 2.415 -13.692 1.00 0.00 O ATOM 1779 NE2 GLN B 55 5.949 0.264 -13.326 1.00 0.00 N ATOM 0 H GLN B 55 7.421 -2.036 -15.419 1.00 0.00 H new ATOM 0 HA GLN B 55 9.039 -0.119 -16.936 1.00 0.00 H new ATOM 0 HB2 GLN B 55 8.288 -0.460 -14.000 1.00 0.00 H new ATOM 0 HB3 GLN B 55 9.294 0.841 -14.604 1.00 0.00 H new ATOM 0 HG2 GLN B 55 7.521 1.862 -15.778 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.643 0.359 -15.977 1.00 0.00 H new ATOM 0 HE21 GLN B 55 6.121 -0.699 -13.615 1.00 0.00 H new ATOM 0 HE22 GLN B 55 5.405 0.455 -12.485 1.00 0.00 H new ATOM 1788 N ALA B 56 10.294 -2.676 -15.562 1.00 0.00 N ATOM 1789 CA ALA B 56 11.530 -3.406 -15.270 1.00 0.00 C ATOM 1790 C ALA B 56 12.507 -3.308 -16.430 1.00 0.00 C ATOM 1791 O ALA B 56 12.134 -2.914 -17.538 1.00 0.00 O ATOM 1792 CB ALA B 56 11.235 -4.880 -14.996 1.00 0.00 C ATOM 0 H ALA B 56 9.462 -3.263 -15.623 1.00 0.00 H new ATOM 0 HA ALA B 56 11.975 -2.952 -14.385 1.00 0.00 H new ATOM 0 HB1 ALA B 56 12.167 -5.404 -14.781 1.00 0.00 H new ATOM 0 HB2 ALA B 56 10.566 -4.964 -14.140 1.00 0.00 H new ATOM 0 HB3 ALA B 56 10.762 -5.325 -15.871 1.00 0.00 H new ATOM 1798 N PRO B 57 13.750 -3.655 -16.195 1.00 0.00 N ATOM 1799 CA PRO B 57 14.805 -3.602 -17.226 1.00 0.00 C ATOM 1800 C PRO B 57 14.775 -4.833 -18.130 1.00 0.00 C ATOM 1801 O PRO B 57 13.920 -5.710 -17.975 1.00 0.00 O ATOM 1802 CB PRO B 57 16.110 -3.533 -16.410 1.00 0.00 C ATOM 1803 CG PRO B 57 15.715 -3.572 -14.967 1.00 0.00 C ATOM 1804 CD PRO B 57 14.309 -4.136 -14.930 1.00 0.00 C ATOM 0 HA PRO B 57 14.685 -2.755 -17.902 1.00 0.00 H new ATOM 0 HB2 PRO B 57 16.765 -4.369 -16.655 1.00 0.00 H new ATOM 0 HB3 PRO B 57 16.661 -2.620 -16.636 1.00 0.00 H new ATOM 0 HG2 PRO B 57 16.400 -4.195 -14.392 1.00 0.00 H new ATOM 0 HG3 PRO B 57 15.746 -2.575 -14.527 1.00 0.00 H new ATOM 0 HD2 PRO B 57 14.308 -5.224 -14.872 1.00 0.00 H new ATOM 0 HD3 PRO B 57 13.746 -3.771 -14.071 1.00 0.00 H new ATOM 1812 N LYS B 58 15.710 -4.879 -19.072 1.00 0.00 N ATOM 1813 CA LYS B 58 15.808 -5.988 -20.017 1.00 0.00 C ATOM 1814 C LYS B 58 17.126 -6.743 -19.827 1.00 0.00 C ATOM 1815 O LYS B 58 18.143 -6.091 -19.652 1.00 0.00 O ATOM 1816 CB LYS B 58 15.718 -5.449 -21.443 1.00 0.00 C ATOM 1817 CG LYS B 58 14.245 -5.290 -21.859 1.00 0.00 C ATOM 1818 CD LYS B 58 13.736 -3.890 -21.471 1.00 0.00 C ATOM 1819 CE LYS B 58 12.242 -3.950 -21.132 1.00 0.00 C ATOM 1820 NZ LYS B 58 12.064 -4.524 -19.767 1.00 0.00 N ATOM 1821 OXT LYS B 58 17.097 -7.962 -19.861 1.00 0.00 O ATOM 0 H LYS B 58 16.417 -4.155 -19.203 1.00 0.00 H new ATOM 0 HA LYS B 58 14.986 -6.680 -19.835 1.00 0.00 H new ATOM 0 HB2 LYS B 58 16.228 -4.488 -21.509 1.00 0.00 H new ATOM 0 HB3 LYS B 58 16.226 -6.127 -22.129 1.00 0.00 H new ATOM 0 HG2 LYS B 58 14.144 -5.437 -22.934 1.00 0.00 H new ATOM 0 HG3 LYS B 58 13.637 -6.054 -21.374 1.00 0.00 H new ATOM 0 HD2 LYS B 58 14.297 -3.515 -20.615 1.00 0.00 H new ATOM 0 HD3 LYS B 58 13.903 -3.193 -22.292 1.00 0.00 H new ATOM 0 HE2 LYS B 58 11.808 -2.951 -21.178 1.00 0.00 H new ATOM 0 HE3 LYS B 58 11.716 -4.560 -21.866 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 11.108 -4.924 -19.681 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 12.768 -5.273 -19.611 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 12.192 -3.776 -19.056 1.00 0.00 H new TER 1835 LYS B 58