USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 917 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 23 ASN : amide:sc= -2.76 K(o=-6.7,f=-15!) USER MOD Set 1.2: B 26 GLN : amide:sc= -2.02 K(o=-6.7,f=-4.7) USER MOD Set 1.3: B 55 GLN : amide:sc= -1.9! K(o=-6.7!,f=-5.5) USER MOD Set 2.1: B 7 LYS NZ :NH3+ -161:sc= 0.049 (180deg=0) USER MOD Set 2.2: B 10 SER OG : rot -90:sc= -1.65 USER MOD Set 3.1: B 4 LYS NZ :NH3+ -176:sc= 0.0819 (180deg=0.0776) USER MOD Set 3.2: B 6 ASN : amide:sc= -4.24! C(o=-4.2!,f=-7.8!) USER MOD Set 4.1: A 21 ASN : amide:sc= -1.58 K(o=-2.4,f=-4.5) USER MOD Set 4.2: A 49 LYS NZ :NH3+ 177:sc= 0.625 (180deg=0) USER MOD Set 4.3: A 52 ASN : amide:sc= -1.48! C(o=-2.4!,f=-9.1!) USER MOD Set 5.1: A 39 SER OG : rot -24:sc= 0.341 USER MOD Set 5.2: A 40 GLN : amide:sc= 0 X(o=0.34,f=0.34) USER MOD Set 6.1: A 23 ASN : amide:sc= -1.42 K(o=-2,f=-5.4!) USER MOD Set 6.2: A 26 GLN : amide:sc= -0.553 K(o=-2,f=-6.3!) USER MOD Set 6.3: A 55 GLN : amide:sc= -0.0652 K(o=-2,f=-7.6!) USER MOD Set 7.1: A 14 TYR OH : rot 180:sc= -0.638 USER MOD Set 7.2: A 18 HIS : no HD1:sc= -22.5! C(o=-23!,f=-21!) USER MOD Single : A 1 VAL N :NH3+ -159:sc= -0.0237 (180deg=-0.594) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 161:sc= 0.131 (180deg=0.0188) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ -111:sc= 0 (180deg=-0.112) USER MOD Single : A 9 GLN : amide:sc= -2.12! C(o=-2.1!,f=-2.7!) USER MOD Single : A 10 GLN : amide:sc= -1.29 K(o=-1.3,f=-5.2!) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN : amide:sc= -2.73 K(o=-2.7,f=-3.6!) USER MOD Single : A 32 GLN : amide:sc= -0.405 X(o=-0.4,f=-0.016) USER MOD Single : A 33 SER OG : rot 8:sc=-0.000373 USER MOD Single : A 35 LYS NZ :NH3+ 165:sc= 0.939 (180deg=0.747) USER MOD Single : A 41 SER OG : rot -96:sc= 0.677 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -146:sc= 0.47 (180deg=-0.38) USER MOD Single : B 1 VAL N :NH3+ -157:sc= -0.022 (180deg=-0.629) USER MOD Single : B 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 18 THR OG1 : rot -46:sc= 0.469 USER MOD Single : B 21 ASN : amide:sc= -2.48! C(o=-2.5!,f=-3.6!) USER MOD Single : B 27 LYS NZ :NH3+ -155:sc= 0.787 (180deg=-0.24) USER MOD Single : B 28 LYS NZ :NH3+ -105:sc= 0.513 (180deg=-0.148) USER MOD Single : B 33 SER OG : rot -40:sc= -0.156 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= -0.717 X(o=-0.72,f=-0.22) USER MOD Single : B 41 SER OG : rot -90:sc= -1.57 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 173:sc= 0.0321 (180deg=0.0222) USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 ASN : amide:sc= -5.76! C(o=-5.8!,f=-15!) USER MOD Single : B 58 LYS NZ :NH3+ -175:sc= -0.418 (180deg=-0.449) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 2.378 -24.878 10.122 1.00 0.00 N ATOM 2 CA VAL A 1 2.900 -23.735 9.297 1.00 0.00 C ATOM 3 C VAL A 1 2.677 -22.403 10.041 1.00 0.00 C ATOM 4 O VAL A 1 1.618 -22.165 10.599 1.00 0.00 O ATOM 5 CB VAL A 1 2.105 -23.768 7.970 1.00 0.00 C ATOM 6 CG1 VAL A 1 2.432 -22.526 7.126 1.00 0.00 C ATOM 7 CG2 VAL A 1 2.480 -25.022 7.166 1.00 0.00 C ATOM 0 H1 VAL A 1 2.828 -25.763 9.813 1.00 0.00 H new ATOM 0 H2 VAL A 1 2.596 -24.710 11.125 1.00 0.00 H new ATOM 0 H3 VAL A 1 1.348 -24.953 9.999 1.00 0.00 H new ATOM 0 HA VAL A 1 3.971 -23.822 9.112 1.00 0.00 H new ATOM 0 HB VAL A 1 1.041 -23.782 8.206 1.00 0.00 H new ATOM 0 HG11 VAL A 1 1.867 -22.560 6.195 1.00 0.00 H new ATOM 0 HG12 VAL A 1 2.163 -21.628 7.681 1.00 0.00 H new ATOM 0 HG13 VAL A 1 3.499 -22.508 6.903 1.00 0.00 H new ATOM 0 HG21 VAL A 1 1.916 -25.038 6.233 1.00 0.00 H new ATOM 0 HG22 VAL A 1 3.547 -25.007 6.945 1.00 0.00 H new ATOM 0 HG23 VAL A 1 2.243 -25.912 7.749 1.00 0.00 H new ATOM 19 N ASP A 2 3.675 -21.541 10.043 1.00 0.00 N ATOM 20 CA ASP A 2 3.542 -20.212 10.744 1.00 0.00 C ATOM 21 C ASP A 2 2.707 -19.224 9.906 1.00 0.00 C ATOM 22 O ASP A 2 2.527 -19.403 8.710 1.00 0.00 O ATOM 23 CB ASP A 2 4.985 -19.684 10.943 1.00 0.00 C ATOM 24 CG ASP A 2 5.702 -19.494 9.592 1.00 0.00 C ATOM 25 OD1 ASP A 2 5.491 -18.471 8.965 1.00 0.00 O ATOM 26 OD2 ASP A 2 6.451 -20.379 9.215 1.00 0.00 O ATOM 0 H ASP A 2 4.575 -21.699 9.590 1.00 0.00 H new ATOM 0 HA ASP A 2 3.025 -20.321 11.697 1.00 0.00 H new ATOM 0 HB2 ASP A 2 4.957 -18.735 11.479 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.548 -20.383 11.561 1.00 0.00 H new ATOM 31 N ASN A 3 2.204 -18.180 10.533 1.00 0.00 N ATOM 32 CA ASN A 3 1.384 -17.154 9.802 1.00 0.00 C ATOM 33 C ASN A 3 2.018 -15.754 9.959 1.00 0.00 C ATOM 34 O ASN A 3 1.334 -14.772 10.203 1.00 0.00 O ATOM 35 CB ASN A 3 -0.009 -17.219 10.458 1.00 0.00 C ATOM 36 CG ASN A 3 -0.665 -18.577 10.164 1.00 0.00 C ATOM 37 OD1 ASN A 3 -0.876 -19.365 11.060 1.00 0.00 O ATOM 38 ND2 ASN A 3 -1.002 -18.883 8.936 1.00 0.00 N ATOM 0 H ASN A 3 2.328 -17.994 11.528 1.00 0.00 H new ATOM 0 HA ASN A 3 1.329 -17.346 8.730 1.00 0.00 H new ATOM 0 HB2 ASN A 3 0.080 -17.074 11.535 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -0.637 -16.413 10.079 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -1.441 -19.782 8.736 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -0.826 -18.222 8.179 1.00 0.00 H new ATOM 45 N LYS A 4 3.327 -15.666 9.812 1.00 0.00 N ATOM 46 CA LYS A 4 4.041 -14.344 9.943 1.00 0.00 C ATOM 47 C LYS A 4 4.587 -13.870 8.580 1.00 0.00 C ATOM 48 O LYS A 4 5.700 -13.376 8.488 1.00 0.00 O ATOM 49 CB LYS A 4 5.190 -14.584 10.954 1.00 0.00 C ATOM 50 CG LYS A 4 6.146 -15.681 10.461 1.00 0.00 C ATOM 51 CD LYS A 4 7.287 -15.875 11.461 1.00 0.00 C ATOM 52 CE LYS A 4 8.198 -17.020 10.991 1.00 0.00 C ATOM 53 NZ LYS A 4 9.423 -16.364 10.440 1.00 0.00 N ATOM 0 H LYS A 4 3.935 -16.459 9.606 1.00 0.00 H new ATOM 0 HA LYS A 4 3.367 -13.559 10.287 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.743 -13.657 11.106 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.774 -14.869 11.920 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.602 -16.617 10.333 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.550 -15.410 9.485 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.863 -14.954 11.554 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.884 -16.100 12.448 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.448 -17.685 11.817 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.704 -17.627 10.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.200 -17.055 10.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.227 -16.012 9.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.696 -15.569 11.052 1.00 0.00 H new ATOM 67 N PHE A 5 3.808 -14.015 7.525 1.00 0.00 N ATOM 68 CA PHE A 5 4.261 -13.579 6.168 1.00 0.00 C ATOM 69 C PHE A 5 3.115 -12.947 5.362 1.00 0.00 C ATOM 70 O PHE A 5 3.324 -11.945 4.698 1.00 0.00 O ATOM 71 CB PHE A 5 4.790 -14.841 5.475 1.00 0.00 C ATOM 72 CG PHE A 5 6.180 -15.151 5.988 1.00 0.00 C ATOM 73 CD1 PHE A 5 7.296 -14.538 5.402 1.00 0.00 C ATOM 74 CD2 PHE A 5 6.355 -16.049 7.048 1.00 0.00 C ATOM 75 CE1 PHE A 5 8.580 -14.822 5.877 1.00 0.00 C ATOM 76 CE2 PHE A 5 7.639 -16.332 7.519 1.00 0.00 C ATOM 77 CZ PHE A 5 8.750 -15.722 6.936 1.00 0.00 C ATOM 0 H PHE A 5 2.872 -14.420 7.553 1.00 0.00 H new ATOM 0 HA PHE A 5 5.030 -12.810 6.243 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.123 -15.682 5.668 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.813 -14.694 4.395 1.00 0.00 H new ATOM 0 HD1 PHE A 5 7.164 -13.846 4.583 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.497 -16.523 7.501 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.440 -14.348 5.427 1.00 0.00 H new ATOM 0 HE2 PHE A 5 7.772 -17.025 8.337 1.00 0.00 H new ATOM 0 HZ PHE A 5 9.742 -15.944 7.302 1.00 0.00 H new ATOM 87 N ASN A 6 1.911 -13.510 5.412 1.00 0.00 N ATOM 88 CA ASN A 6 0.758 -12.916 4.644 1.00 0.00 C ATOM 89 C ASN A 6 0.553 -11.449 5.060 1.00 0.00 C ATOM 90 O ASN A 6 0.568 -10.568 4.218 1.00 0.00 O ATOM 91 CB ASN A 6 -0.471 -13.764 5.005 1.00 0.00 C ATOM 92 CG ASN A 6 -1.682 -13.303 4.182 1.00 0.00 C ATOM 93 OD1 ASN A 6 -2.548 -12.620 4.691 1.00 0.00 O ATOM 94 ND2 ASN A 6 -1.781 -13.646 2.926 1.00 0.00 N ATOM 0 H ASN A 6 1.685 -14.348 5.949 1.00 0.00 H new ATOM 0 HA ASN A 6 0.936 -12.924 3.569 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -0.267 -14.817 4.810 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -0.687 -13.673 6.069 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -2.584 -13.340 2.376 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -1.056 -14.219 2.495 1.00 0.00 H new ATOM 101 N LYS A 7 0.409 -11.176 6.350 1.00 0.00 N ATOM 102 CA LYS A 7 0.252 -9.753 6.796 1.00 0.00 C ATOM 103 C LYS A 7 1.579 -8.993 6.682 1.00 0.00 C ATOM 104 O LYS A 7 1.556 -7.804 6.498 1.00 0.00 O ATOM 105 CB LYS A 7 -0.263 -9.753 8.230 1.00 0.00 C ATOM 106 CG LYS A 7 -0.184 -8.329 8.788 1.00 0.00 C ATOM 107 CD LYS A 7 -0.644 -8.342 10.227 1.00 0.00 C ATOM 108 CE LYS A 7 -0.336 -6.989 10.892 1.00 0.00 C ATOM 109 NZ LYS A 7 1.113 -7.035 11.267 1.00 0.00 N ATOM 0 H LYS A 7 0.395 -11.871 7.096 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.463 -9.240 6.152 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.291 -10.113 8.261 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.330 -10.431 8.843 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.837 -7.954 8.722 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.809 -7.658 8.198 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.714 -8.544 10.273 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.145 -9.145 10.769 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.536 -6.164 10.209 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.962 -6.834 11.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.203 -7.072 12.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.553 -7.881 10.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.592 -6.184 10.908 1.00 0.00 H new ATOM 123 N GLU A 8 2.728 -9.645 6.773 1.00 0.00 N ATOM 124 CA GLU A 8 4.023 -8.885 6.618 1.00 0.00 C ATOM 125 C GLU A 8 3.996 -8.212 5.252 1.00 0.00 C ATOM 126 O GLU A 8 4.364 -7.070 5.123 1.00 0.00 O ATOM 127 CB GLU A 8 5.181 -9.885 6.659 1.00 0.00 C ATOM 128 CG GLU A 8 5.318 -10.520 8.043 1.00 0.00 C ATOM 129 CD GLU A 8 5.421 -9.441 9.135 1.00 0.00 C ATOM 130 OE1 GLU A 8 6.360 -8.660 9.091 1.00 0.00 O ATOM 131 OE2 GLU A 8 4.549 -9.411 9.989 1.00 0.00 O ATOM 0 H GLU A 8 2.823 -10.646 6.944 1.00 0.00 H new ATOM 0 HA GLU A 8 4.146 -8.147 7.410 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.018 -10.664 5.914 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.110 -9.380 6.395 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.459 -11.161 8.240 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.203 -11.156 8.070 1.00 0.00 H new ATOM 138 N GLN A 9 3.484 -8.912 4.252 1.00 0.00 N ATOM 139 CA GLN A 9 3.330 -8.308 2.901 1.00 0.00 C ATOM 140 C GLN A 9 2.293 -7.175 3.000 1.00 0.00 C ATOM 141 O GLN A 9 2.462 -6.131 2.435 1.00 0.00 O ATOM 142 CB GLN A 9 2.797 -9.411 1.985 1.00 0.00 C ATOM 143 CG GLN A 9 3.814 -10.535 1.795 1.00 0.00 C ATOM 144 CD GLN A 9 3.132 -11.681 1.046 1.00 0.00 C ATOM 145 OE1 GLN A 9 2.628 -12.603 1.657 1.00 0.00 O ATOM 146 NE2 GLN A 9 3.079 -11.660 -0.261 1.00 0.00 N ATOM 0 H GLN A 9 3.169 -9.879 4.327 1.00 0.00 H new ATOM 0 HA GLN A 9 4.269 -7.908 2.519 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.878 -9.820 2.406 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.541 -8.985 1.015 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.676 -10.175 1.234 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.183 -10.880 2.761 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.501 -10.887 -0.776 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.616 -12.416 -0.765 1.00 0.00 H new ATOM 155 N GLN A 10 1.235 -7.398 3.764 1.00 0.00 N ATOM 156 CA GLN A 10 0.159 -6.361 3.990 1.00 0.00 C ATOM 157 C GLN A 10 0.744 -5.132 4.700 1.00 0.00 C ATOM 158 O GLN A 10 0.520 -4.009 4.289 1.00 0.00 O ATOM 159 CB GLN A 10 -0.844 -7.064 4.914 1.00 0.00 C ATOM 160 CG GLN A 10 -2.248 -7.045 4.313 1.00 0.00 C ATOM 161 CD GLN A 10 -2.562 -8.388 3.620 1.00 0.00 C ATOM 162 OE1 GLN A 10 -1.944 -9.399 3.896 1.00 0.00 O ATOM 163 NE2 GLN A 10 -3.516 -8.450 2.737 1.00 0.00 N ATOM 0 H GLN A 10 1.070 -8.278 4.252 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.288 -6.011 3.059 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.530 -8.094 5.081 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.854 -6.572 5.887 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.982 -6.854 5.096 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.330 -6.231 3.593 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.043 -7.611 2.496 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.737 -9.338 2.286 1.00 0.00 H new ATOM 172 N ASN A 11 1.499 -5.355 5.758 1.00 0.00 N ATOM 173 CA ASN A 11 2.128 -4.237 6.521 1.00 0.00 C ATOM 174 C ASN A 11 3.238 -3.607 5.682 1.00 0.00 C ATOM 175 O ASN A 11 3.314 -2.409 5.578 1.00 0.00 O ATOM 176 CB ASN A 11 2.716 -4.872 7.788 1.00 0.00 C ATOM 177 CG ASN A 11 3.019 -3.775 8.815 1.00 0.00 C ATOM 178 OD1 ASN A 11 2.126 -3.294 9.484 1.00 0.00 O ATOM 179 ND2 ASN A 11 4.245 -3.351 8.965 1.00 0.00 N ATOM 0 H ASN A 11 1.705 -6.284 6.125 1.00 0.00 H new ATOM 0 HA ASN A 11 1.410 -3.454 6.766 1.00 0.00 H new ATOM 0 HB2 ASN A 11 2.013 -5.593 8.206 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.627 -5.419 7.545 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.452 -2.617 9.643 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.996 -3.754 8.404 1.00 0.00 H new ATOM 186 N ALA A 12 4.078 -4.418 5.064 1.00 0.00 N ATOM 187 CA ALA A 12 5.170 -3.871 4.197 1.00 0.00 C ATOM 188 C ALA A 12 4.539 -3.118 3.029 1.00 0.00 C ATOM 189 O ALA A 12 4.962 -2.034 2.702 1.00 0.00 O ATOM 190 CB ALA A 12 5.963 -5.075 3.687 1.00 0.00 C ATOM 0 H ALA A 12 4.049 -5.436 5.127 1.00 0.00 H new ATOM 0 HA ALA A 12 5.820 -3.184 4.739 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.775 -4.731 3.047 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.376 -5.624 4.533 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.304 -5.730 3.117 1.00 0.00 H new ATOM 196 N PHE A 13 3.490 -3.677 2.442 1.00 0.00 N ATOM 197 CA PHE A 13 2.765 -2.987 1.328 1.00 0.00 C ATOM 198 C PHE A 13 2.268 -1.646 1.854 1.00 0.00 C ATOM 199 O PHE A 13 2.608 -0.604 1.331 1.00 0.00 O ATOM 200 CB PHE A 13 1.566 -3.909 0.979 1.00 0.00 C ATOM 201 CG PHE A 13 0.592 -3.205 0.073 1.00 0.00 C ATOM 202 CD1 PHE A 13 1.041 -2.607 -1.099 1.00 0.00 C ATOM 203 CD2 PHE A 13 -0.768 -3.188 0.390 1.00 0.00 C ATOM 204 CE1 PHE A 13 0.135 -1.995 -1.953 1.00 0.00 C ATOM 205 CE2 PHE A 13 -1.674 -2.568 -0.461 1.00 0.00 C ATOM 206 CZ PHE A 13 -1.225 -1.975 -1.631 1.00 0.00 C ATOM 0 H PHE A 13 3.110 -4.589 2.696 1.00 0.00 H new ATOM 0 HA PHE A 13 3.388 -2.810 0.451 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.929 -4.816 0.495 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.060 -4.216 1.894 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.093 -2.619 -1.344 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.116 -3.658 1.298 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.481 -1.534 -2.867 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.725 -2.548 -0.212 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.928 -1.496 -2.296 1.00 0.00 H new ATOM 216 N TYR A 14 1.493 -1.695 2.919 1.00 0.00 N ATOM 217 CA TYR A 14 0.955 -0.460 3.548 1.00 0.00 C ATOM 218 C TYR A 14 2.084 0.531 3.873 1.00 0.00 C ATOM 219 O TYR A 14 2.019 1.675 3.495 1.00 0.00 O ATOM 220 CB TYR A 14 0.313 -0.944 4.835 1.00 0.00 C ATOM 221 CG TYR A 14 -0.342 0.217 5.510 1.00 0.00 C ATOM 222 CD1 TYR A 14 -1.589 0.657 5.077 1.00 0.00 C ATOM 223 CD2 TYR A 14 0.300 0.860 6.574 1.00 0.00 C ATOM 224 CE1 TYR A 14 -2.195 1.709 5.694 1.00 0.00 C ATOM 225 CE2 TYR A 14 -0.312 1.938 7.200 1.00 0.00 C ATOM 226 CZ TYR A 14 -1.569 2.369 6.765 1.00 0.00 C ATOM 227 OH TYR A 14 -2.188 3.445 7.378 1.00 0.00 O ATOM 0 H TYR A 14 1.211 -2.560 3.380 1.00 0.00 H new ATOM 0 HA TYR A 14 0.259 0.062 2.891 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.421 -1.721 4.622 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.064 -1.387 5.489 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.077 0.163 4.250 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.269 0.519 6.908 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.166 2.039 5.357 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.181 2.441 8.019 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.618 3.783 8.100 1.00 0.00 H new ATOM 237 N GLU A 15 3.119 0.084 4.561 1.00 0.00 N ATOM 238 CA GLU A 15 4.255 0.996 4.910 1.00 0.00 C ATOM 239 C GLU A 15 4.908 1.527 3.628 1.00 0.00 C ATOM 240 O GLU A 15 5.159 2.706 3.533 1.00 0.00 O ATOM 241 CB GLU A 15 5.238 0.161 5.739 1.00 0.00 C ATOM 242 CG GLU A 15 4.645 -0.161 7.129 1.00 0.00 C ATOM 243 CD GLU A 15 4.303 1.135 7.886 1.00 0.00 C ATOM 244 OE1 GLU A 15 5.200 1.941 8.094 1.00 0.00 O ATOM 245 OE2 GLU A 15 3.148 1.296 8.242 1.00 0.00 O ATOM 0 H GLU A 15 3.221 -0.875 4.893 1.00 0.00 H new ATOM 0 HA GLU A 15 3.923 1.865 5.478 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.469 -0.765 5.213 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.176 0.704 5.855 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.748 -0.770 7.015 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.358 -0.749 7.707 1.00 0.00 H new ATOM 252 N ILE A 16 5.131 0.684 2.623 1.00 0.00 N ATOM 253 CA ILE A 16 5.712 1.185 1.318 1.00 0.00 C ATOM 254 C ILE A 16 4.837 2.348 0.796 1.00 0.00 C ATOM 255 O ILE A 16 5.345 3.395 0.430 1.00 0.00 O ATOM 256 CB ILE A 16 5.710 -0.045 0.369 1.00 0.00 C ATOM 257 CG1 ILE A 16 7.043 -0.782 0.552 1.00 0.00 C ATOM 258 CG2 ILE A 16 5.547 0.364 -1.103 1.00 0.00 C ATOM 259 CD1 ILE A 16 6.825 -2.285 0.458 1.00 0.00 C ATOM 0 H ILE A 16 4.937 -0.317 2.653 1.00 0.00 H new ATOM 0 HA ILE A 16 6.724 1.579 1.410 1.00 0.00 H new ATOM 0 HB ILE A 16 4.864 -0.684 0.621 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.753 -0.461 -0.210 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.478 -0.529 1.519 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.551 -0.527 -1.731 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.603 0.894 -1.231 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.371 1.016 -1.393 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.777 -2.800 0.589 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.131 -2.601 1.237 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.411 -2.532 -0.519 1.00 0.00 H new ATOM 271 N LEU A 17 3.531 2.168 0.806 1.00 0.00 N ATOM 272 CA LEU A 17 2.596 3.270 0.357 1.00 0.00 C ATOM 273 C LEU A 17 2.589 4.440 1.376 1.00 0.00 C ATOM 274 O LEU A 17 2.533 5.589 1.000 1.00 0.00 O ATOM 275 CB LEU A 17 1.184 2.657 0.303 1.00 0.00 C ATOM 276 CG LEU A 17 1.120 1.482 -0.682 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.412 0.310 -0.045 1.00 0.00 C ATOM 278 CD2 LEU A 17 0.297 1.834 -1.893 1.00 0.00 C ATOM 0 H LEU A 17 3.069 1.309 1.104 1.00 0.00 H new ATOM 0 HA LEU A 17 2.915 3.661 -0.609 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.896 2.316 1.297 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.465 3.421 0.007 1.00 0.00 H new ATOM 0 HG LEU A 17 2.148 1.246 -0.956 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.372 -0.519 -0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.954 -0.001 0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.602 0.603 0.229 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.269 0.983 -2.574 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.718 2.084 -1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.743 2.690 -2.400 1.00 0.00 H new ATOM 290 N HIS A 18 2.625 4.152 2.664 1.00 0.00 N ATOM 291 CA HIS A 18 2.583 5.245 3.708 1.00 0.00 C ATOM 292 C HIS A 18 3.982 5.832 4.023 1.00 0.00 C ATOM 293 O HIS A 18 4.091 6.705 4.867 1.00 0.00 O ATOM 294 CB HIS A 18 1.967 4.600 4.966 1.00 0.00 C ATOM 295 CG HIS A 18 0.477 4.427 4.775 1.00 0.00 C ATOM 296 ND1 HIS A 18 -0.454 5.371 5.192 1.00 0.00 N ATOM 297 CD2 HIS A 18 -0.263 3.437 4.180 1.00 0.00 C ATOM 298 CE1 HIS A 18 -1.671 4.916 4.829 1.00 0.00 C ATOM 299 NE2 HIS A 18 -1.597 3.772 4.207 1.00 0.00 N ATOM 0 H HIS A 18 2.682 3.205 3.040 1.00 0.00 H new ATOM 0 HA HIS A 18 1.995 6.088 3.345 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.433 3.633 5.156 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.161 5.224 5.838 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.141 2.530 3.754 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.596 5.437 5.029 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.372 3.234 3.819 1.00 0.00 H new ATOM 307 N LEU A 19 5.045 5.390 3.357 1.00 0.00 N ATOM 308 CA LEU A 19 6.406 5.969 3.643 1.00 0.00 C ATOM 309 C LEU A 19 6.450 7.432 3.154 1.00 0.00 C ATOM 310 O LEU A 19 5.967 7.730 2.071 1.00 0.00 O ATOM 311 CB LEU A 19 7.429 5.090 2.892 1.00 0.00 C ATOM 312 CG LEU A 19 7.912 3.945 3.806 1.00 0.00 C ATOM 313 CD1 LEU A 19 8.830 3.007 3.020 1.00 0.00 C ATOM 314 CD2 LEU A 19 8.679 4.506 5.008 1.00 0.00 C ATOM 0 H LEU A 19 5.023 4.665 2.640 1.00 0.00 H new ATOM 0 HA LEU A 19 6.634 5.975 4.709 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.975 4.680 1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.278 5.696 2.575 1.00 0.00 H new ATOM 0 HG LEU A 19 7.040 3.397 4.162 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.168 2.200 3.670 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.284 2.588 2.175 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.692 3.564 2.654 1.00 0.00 H new ATOM 0 HD21 LEU A 19 9.012 3.685 5.642 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.544 5.068 4.657 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.026 5.165 5.581 1.00 0.00 H new ATOM 326 N PRO A 20 6.989 8.311 3.990 1.00 0.00 N ATOM 327 CA PRO A 20 7.040 9.771 3.662 1.00 0.00 C ATOM 328 C PRO A 20 7.963 10.125 2.475 1.00 0.00 C ATOM 329 O PRO A 20 7.820 11.199 1.914 1.00 0.00 O ATOM 330 CB PRO A 20 7.545 10.411 4.955 1.00 0.00 C ATOM 331 CG PRO A 20 8.288 9.326 5.660 1.00 0.00 C ATOM 332 CD PRO A 20 7.603 8.038 5.304 1.00 0.00 C ATOM 0 HA PRO A 20 6.063 10.129 3.338 1.00 0.00 H new ATOM 0 HB2 PRO A 20 8.193 11.262 4.747 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.718 10.781 5.561 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.333 9.308 5.351 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.277 9.486 6.738 1.00 0.00 H new ATOM 0 HD2 PRO A 20 8.311 7.211 5.250 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.853 7.767 6.047 1.00 0.00 H new ATOM 340 N ASN A 21 8.909 9.277 2.088 1.00 0.00 N ATOM 341 CA ASN A 21 9.811 9.654 0.941 1.00 0.00 C ATOM 342 C ASN A 21 9.787 8.598 -0.185 1.00 0.00 C ATOM 343 O ASN A 21 10.642 8.618 -1.056 1.00 0.00 O ATOM 344 CB ASN A 21 11.221 9.794 1.544 1.00 0.00 C ATOM 345 CG ASN A 21 11.186 10.706 2.778 1.00 0.00 C ATOM 346 OD1 ASN A 21 10.975 10.249 3.884 1.00 0.00 O ATOM 347 ND2 ASN A 21 11.392 11.978 2.632 1.00 0.00 N ATOM 0 H ASN A 21 9.088 8.365 2.508 1.00 0.00 H new ATOM 0 HA ASN A 21 9.479 10.582 0.475 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.605 8.812 1.820 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.903 10.205 0.799 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.377 12.594 3.445 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.569 12.363 1.704 1.00 0.00 H new ATOM 354 N LEU A 22 8.806 7.701 -0.206 1.00 0.00 N ATOM 355 CA LEU A 22 8.741 6.693 -1.313 1.00 0.00 C ATOM 356 C LEU A 22 7.907 7.248 -2.467 1.00 0.00 C ATOM 357 O LEU A 22 6.827 7.786 -2.269 1.00 0.00 O ATOM 358 CB LEU A 22 8.090 5.412 -0.744 1.00 0.00 C ATOM 359 CG LEU A 22 9.129 4.459 -0.099 1.00 0.00 C ATOM 360 CD1 LEU A 22 8.665 3.014 -0.285 1.00 0.00 C ATOM 361 CD2 LEU A 22 10.504 4.590 -0.753 1.00 0.00 C ATOM 0 H LEU A 22 8.063 7.632 0.490 1.00 0.00 H new ATOM 0 HA LEU A 22 9.738 6.470 -1.693 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.342 5.687 -0.000 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.567 4.887 -1.543 1.00 0.00 H new ATOM 0 HG LEU A 22 9.210 4.726 0.955 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.391 2.338 0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.696 2.878 0.195 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.577 2.794 -1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.202 3.905 -0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.428 4.345 -1.812 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.864 5.613 -0.642 1.00 0.00 H new ATOM 373 N ASN A 23 8.404 7.097 -3.670 1.00 0.00 N ATOM 374 CA ASN A 23 7.660 7.589 -4.882 1.00 0.00 C ATOM 375 C ASN A 23 6.990 6.413 -5.592 1.00 0.00 C ATOM 376 O ASN A 23 7.047 5.293 -5.124 1.00 0.00 O ATOM 377 CB ASN A 23 8.670 8.312 -5.809 1.00 0.00 C ATOM 378 CG ASN A 23 9.999 7.546 -5.950 1.00 0.00 C ATOM 379 OD1 ASN A 23 10.774 7.465 -5.016 1.00 0.00 O ATOM 380 ND2 ASN A 23 10.306 6.995 -7.090 1.00 0.00 N ATOM 0 H ASN A 23 9.299 6.651 -3.870 1.00 0.00 H new ATOM 0 HA ASN A 23 6.874 8.288 -4.596 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.224 8.442 -6.795 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.870 9.309 -5.415 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.191 6.500 -7.195 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.661 7.059 -7.877 1.00 0.00 H new ATOM 387 N GLU A 24 6.339 6.663 -6.705 1.00 0.00 N ATOM 388 CA GLU A 24 5.639 5.549 -7.437 1.00 0.00 C ATOM 389 C GLU A 24 6.644 4.494 -7.910 1.00 0.00 C ATOM 390 O GLU A 24 6.379 3.321 -7.807 1.00 0.00 O ATOM 391 CB GLU A 24 4.935 6.199 -8.637 1.00 0.00 C ATOM 392 CG GLU A 24 3.976 5.185 -9.287 1.00 0.00 C ATOM 393 CD GLU A 24 4.614 4.568 -10.537 1.00 0.00 C ATOM 394 OE1 GLU A 24 4.747 5.270 -11.526 1.00 0.00 O ATOM 395 OE2 GLU A 24 4.944 3.393 -10.486 1.00 0.00 O ATOM 0 H GLU A 24 6.260 7.583 -7.138 1.00 0.00 H new ATOM 0 HA GLU A 24 4.927 5.039 -6.788 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.382 7.081 -8.313 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.673 6.535 -9.366 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.729 4.400 -8.573 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.042 5.679 -9.554 1.00 0.00 H new ATOM 402 N GLU A 25 7.795 4.900 -8.409 1.00 0.00 N ATOM 403 CA GLU A 25 8.812 3.894 -8.879 1.00 0.00 C ATOM 404 C GLU A 25 9.289 3.020 -7.704 1.00 0.00 C ATOM 405 O GLU A 25 9.382 1.816 -7.831 1.00 0.00 O ATOM 406 CB GLU A 25 9.974 4.720 -9.449 1.00 0.00 C ATOM 407 CG GLU A 25 11.004 3.794 -10.110 1.00 0.00 C ATOM 408 CD GLU A 25 12.251 4.598 -10.496 1.00 0.00 C ATOM 409 OE1 GLU A 25 12.980 4.995 -9.596 1.00 0.00 O ATOM 410 OE2 GLU A 25 12.457 4.805 -11.678 1.00 0.00 O ATOM 0 H GLU A 25 8.072 5.876 -8.511 1.00 0.00 H new ATOM 0 HA GLU A 25 8.397 3.217 -9.625 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.597 5.437 -10.178 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.448 5.294 -8.653 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.276 2.990 -9.426 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.572 3.327 -10.995 1.00 0.00 H new ATOM 417 N GLN A 26 9.572 3.618 -6.562 1.00 0.00 N ATOM 418 CA GLN A 26 10.036 2.822 -5.367 1.00 0.00 C ATOM 419 C GLN A 26 8.868 2.054 -4.735 1.00 0.00 C ATOM 420 O GLN A 26 8.960 0.862 -4.517 1.00 0.00 O ATOM 421 CB GLN A 26 10.613 3.847 -4.371 1.00 0.00 C ATOM 422 CG GLN A 26 11.859 4.533 -4.965 1.00 0.00 C ATOM 423 CD GLN A 26 13.091 3.617 -4.859 1.00 0.00 C ATOM 424 OE1 GLN A 26 13.025 2.438 -5.156 1.00 0.00 O ATOM 425 NE2 GLN A 26 14.226 4.115 -4.448 1.00 0.00 N ATOM 0 H GLN A 26 9.502 4.623 -6.405 1.00 0.00 H new ATOM 0 HA GLN A 26 10.781 2.080 -5.653 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.858 4.596 -4.132 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.875 3.349 -3.438 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.677 4.786 -6.010 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.050 5.469 -4.439 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.289 5.102 -4.197 1.00 0.00 H new ATOM 0 HE22 GLN A 26 15.050 3.517 -4.378 1.00 0.00 H new ATOM 434 N ARG A 27 7.780 2.733 -4.439 1.00 0.00 N ATOM 435 CA ARG A 27 6.591 2.070 -3.799 1.00 0.00 C ATOM 436 C ARG A 27 5.965 0.974 -4.701 1.00 0.00 C ATOM 437 O ARG A 27 5.716 -0.123 -4.246 1.00 0.00 O ATOM 438 CB ARG A 27 5.584 3.212 -3.583 1.00 0.00 C ATOM 439 CG ARG A 27 4.225 2.670 -3.125 1.00 0.00 C ATOM 440 CD ARG A 27 3.155 3.033 -4.161 1.00 0.00 C ATOM 441 NE ARG A 27 2.828 4.455 -3.887 1.00 0.00 N ATOM 442 CZ ARG A 27 3.102 5.391 -4.762 1.00 0.00 C ATOM 443 NH1 ARG A 27 4.070 6.242 -4.524 1.00 0.00 N ATOM 444 NH2 ARG A 27 2.403 5.483 -5.868 1.00 0.00 N ATOM 0 H ARG A 27 7.664 3.731 -4.616 1.00 0.00 H new ATOM 0 HA ARG A 27 6.876 1.563 -2.877 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.972 3.907 -2.838 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.462 3.773 -4.509 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.276 1.588 -3.002 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.963 3.089 -2.154 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.527 2.902 -5.177 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.275 2.398 -4.060 1.00 0.00 H new ATOM 0 HE ARG A 27 2.383 4.707 -3.004 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.607 6.174 -3.660 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.286 6.972 -5.203 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.645 4.825 -6.048 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.618 6.212 -6.548 1.00 0.00 H new ATOM 458 N ASN A 28 5.701 1.275 -5.964 1.00 0.00 N ATOM 459 CA ASN A 28 5.076 0.258 -6.891 1.00 0.00 C ATOM 460 C ASN A 28 6.024 -0.918 -7.126 1.00 0.00 C ATOM 461 O ASN A 28 5.604 -2.061 -7.084 1.00 0.00 O ATOM 462 CB ASN A 28 4.806 1.002 -8.196 1.00 0.00 C ATOM 463 CG ASN A 28 4.302 0.042 -9.283 1.00 0.00 C ATOM 464 OD1 ASN A 28 3.543 -0.869 -9.011 1.00 0.00 O ATOM 465 ND2 ASN A 28 4.700 0.213 -10.512 1.00 0.00 N ATOM 0 H ASN A 28 5.892 2.181 -6.391 1.00 0.00 H new ATOM 0 HA ASN A 28 4.162 -0.159 -6.469 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.067 1.785 -8.026 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.718 1.493 -8.534 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.375 -0.417 -11.246 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.336 0.977 -10.740 1.00 0.00 H new ATOM 472 N ALA A 29 7.297 -0.645 -7.348 1.00 0.00 N ATOM 473 CA ALA A 29 8.288 -1.757 -7.550 1.00 0.00 C ATOM 474 C ALA A 29 8.290 -2.646 -6.311 1.00 0.00 C ATOM 475 O ALA A 29 8.367 -3.857 -6.407 1.00 0.00 O ATOM 476 CB ALA A 29 9.626 -1.073 -7.689 1.00 0.00 C ATOM 0 H ALA A 29 7.688 0.296 -7.397 1.00 0.00 H new ATOM 0 HA ALA A 29 8.056 -2.376 -8.417 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.404 -1.822 -7.840 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.602 -0.397 -8.544 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.840 -0.505 -6.784 1.00 0.00 H new ATOM 482 N PHE A 30 8.157 -2.035 -5.149 1.00 0.00 N ATOM 483 CA PHE A 30 8.086 -2.808 -3.880 1.00 0.00 C ATOM 484 C PHE A 30 6.841 -3.653 -3.882 1.00 0.00 C ATOM 485 O PHE A 30 6.895 -4.807 -3.572 1.00 0.00 O ATOM 486 CB PHE A 30 8.029 -1.767 -2.767 1.00 0.00 C ATOM 487 CG PHE A 30 9.430 -1.295 -2.443 1.00 0.00 C ATOM 488 CD1 PHE A 30 10.544 -2.102 -2.738 1.00 0.00 C ATOM 489 CD2 PHE A 30 9.614 -0.065 -1.823 1.00 0.00 C ATOM 490 CE1 PHE A 30 11.811 -1.684 -2.404 1.00 0.00 C ATOM 491 CE2 PHE A 30 10.896 0.356 -1.499 1.00 0.00 C ATOM 492 CZ PHE A 30 11.995 -0.466 -1.786 1.00 0.00 C ATOM 0 H PHE A 30 8.095 -1.023 -5.036 1.00 0.00 H new ATOM 0 HA PHE A 30 8.938 -3.476 -3.750 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.412 -0.923 -3.076 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.564 -2.194 -1.879 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.404 -3.054 -3.229 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.764 0.560 -1.594 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.662 -2.311 -2.626 1.00 0.00 H new ATOM 0 HE2 PHE A 30 11.047 1.315 -1.026 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.991 -0.143 -1.521 1.00 0.00 H new ATOM 502 N ILE A 31 5.738 -3.087 -4.286 1.00 0.00 N ATOM 503 CA ILE A 31 4.473 -3.866 -4.375 1.00 0.00 C ATOM 504 C ILE A 31 4.641 -4.994 -5.413 1.00 0.00 C ATOM 505 O ILE A 31 4.044 -6.037 -5.269 1.00 0.00 O ATOM 506 CB ILE A 31 3.413 -2.829 -4.747 1.00 0.00 C ATOM 507 CG1 ILE A 31 3.256 -1.882 -3.556 1.00 0.00 C ATOM 508 CG2 ILE A 31 2.088 -3.516 -5.025 1.00 0.00 C ATOM 509 CD1 ILE A 31 2.601 -0.587 -3.995 1.00 0.00 C ATOM 0 H ILE A 31 5.659 -2.108 -4.561 1.00 0.00 H new ATOM 0 HA ILE A 31 4.187 -4.372 -3.453 1.00 0.00 H new ATOM 0 HB ILE A 31 3.714 -2.283 -5.641 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.654 -2.358 -2.782 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.232 -1.673 -3.118 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.339 -2.769 -5.289 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.208 -4.217 -5.851 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.764 -4.055 -4.135 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.496 0.077 -3.137 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.219 -0.105 -4.753 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.617 -0.800 -4.411 1.00 0.00 H new ATOM 521 N GLN A 32 5.496 -4.820 -6.421 1.00 0.00 N ATOM 522 CA GLN A 32 5.734 -5.930 -7.403 1.00 0.00 C ATOM 523 C GLN A 32 6.574 -7.033 -6.725 1.00 0.00 C ATOM 524 O GLN A 32 6.187 -8.183 -6.707 1.00 0.00 O ATOM 525 CB GLN A 32 6.466 -5.298 -8.593 1.00 0.00 C ATOM 526 CG GLN A 32 5.450 -4.548 -9.457 1.00 0.00 C ATOM 527 CD GLN A 32 6.173 -3.764 -10.547 1.00 0.00 C ATOM 528 OE1 GLN A 32 6.510 -4.302 -11.584 1.00 0.00 O ATOM 529 NE2 GLN A 32 6.429 -2.504 -10.350 1.00 0.00 N ATOM 0 H GLN A 32 6.026 -3.966 -6.594 1.00 0.00 H new ATOM 0 HA GLN A 32 4.810 -6.398 -7.743 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.239 -4.615 -8.241 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.965 -6.068 -9.181 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.751 -5.253 -9.907 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.863 -3.870 -8.837 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.145 -2.056 -9.479 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.914 -1.964 -11.067 1.00 0.00 H new ATOM 538 N SER A 33 7.692 -6.663 -6.115 1.00 0.00 N ATOM 539 CA SER A 33 8.557 -7.659 -5.367 1.00 0.00 C ATOM 540 C SER A 33 7.814 -8.220 -4.132 1.00 0.00 C ATOM 541 O SER A 33 8.048 -9.337 -3.713 1.00 0.00 O ATOM 542 CB SER A 33 9.808 -6.871 -4.944 1.00 0.00 C ATOM 543 OG SER A 33 9.426 -5.648 -4.328 1.00 0.00 O ATOM 0 H SER A 33 8.045 -5.706 -6.103 1.00 0.00 H new ATOM 0 HA SER A 33 8.810 -8.520 -5.986 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.406 -7.465 -4.253 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.433 -6.670 -5.814 1.00 0.00 H new ATOM 0 HG SER A 33 8.455 -5.636 -4.200 1.00 0.00 H new ATOM 549 N LEU A 34 6.934 -7.433 -3.556 1.00 0.00 N ATOM 550 CA LEU A 34 6.151 -7.844 -2.342 1.00 0.00 C ATOM 551 C LEU A 34 4.967 -8.766 -2.722 1.00 0.00 C ATOM 552 O LEU A 34 4.757 -9.786 -2.087 1.00 0.00 O ATOM 553 CB LEU A 34 5.680 -6.493 -1.775 1.00 0.00 C ATOM 554 CG LEU A 34 4.972 -6.634 -0.434 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.976 -6.945 0.655 1.00 0.00 C ATOM 556 CD2 LEU A 34 4.293 -5.312 -0.104 1.00 0.00 C ATOM 0 H LEU A 34 6.719 -6.493 -3.888 1.00 0.00 H new ATOM 0 HA LEU A 34 6.727 -8.427 -1.623 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.539 -5.832 -1.660 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.007 -6.019 -2.489 1.00 0.00 H new ATOM 0 HG LEU A 34 4.243 -7.442 -0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.459 -7.044 1.609 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.488 -7.878 0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.705 -6.137 0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.781 -5.395 0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.042 -4.522 -0.047 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.569 -5.070 -0.883 1.00 0.00 H new ATOM 568 N LYS A 35 4.199 -8.416 -3.749 1.00 0.00 N ATOM 569 CA LYS A 35 3.027 -9.278 -4.171 1.00 0.00 C ATOM 570 C LYS A 35 3.528 -10.605 -4.766 1.00 0.00 C ATOM 571 O LYS A 35 2.945 -11.648 -4.524 1.00 0.00 O ATOM 572 CB LYS A 35 2.228 -8.458 -5.218 1.00 0.00 C ATOM 573 CG LYS A 35 1.113 -7.668 -4.538 1.00 0.00 C ATOM 574 CD LYS A 35 -0.195 -7.836 -5.313 1.00 0.00 C ATOM 575 CE LYS A 35 -1.376 -7.784 -4.337 1.00 0.00 C ATOM 576 NZ LYS A 35 -1.815 -9.203 -4.160 1.00 0.00 N ATOM 0 H LYS A 35 4.335 -7.574 -4.309 1.00 0.00 H new ATOM 0 HA LYS A 35 2.393 -9.533 -3.322 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.897 -7.776 -5.743 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.804 -9.127 -5.966 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.985 -8.014 -3.512 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.382 -6.613 -4.487 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.292 -7.048 -6.060 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.194 -8.785 -5.849 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.079 -7.344 -3.385 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.185 -7.170 -4.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.437 -9.273 -3.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.332 -9.514 -5.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.982 -9.809 -4.021 1.00 0.00 H new ATOM 590 N ASP A 36 4.609 -10.572 -5.527 1.00 0.00 N ATOM 591 CA ASP A 36 5.165 -11.833 -6.129 1.00 0.00 C ATOM 592 C ASP A 36 6.006 -12.630 -5.103 1.00 0.00 C ATOM 593 O ASP A 36 5.974 -13.849 -5.104 1.00 0.00 O ATOM 594 CB ASP A 36 6.025 -11.383 -7.328 1.00 0.00 C ATOM 595 CG ASP A 36 5.155 -10.711 -8.419 1.00 0.00 C ATOM 596 OD1 ASP A 36 4.030 -11.147 -8.634 1.00 0.00 O ATOM 597 OD2 ASP A 36 5.633 -9.766 -9.026 1.00 0.00 O ATOM 0 H ASP A 36 5.128 -9.724 -5.755 1.00 0.00 H new ATOM 0 HA ASP A 36 4.366 -12.505 -6.442 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.791 -10.685 -6.989 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.543 -12.244 -7.751 1.00 0.00 H new ATOM 602 N ASP A 37 6.751 -11.960 -4.228 1.00 0.00 N ATOM 603 CA ASP A 37 7.587 -12.695 -3.209 1.00 0.00 C ATOM 604 C ASP A 37 7.114 -12.374 -1.770 1.00 0.00 C ATOM 605 O ASP A 37 7.366 -11.289 -1.266 1.00 0.00 O ATOM 606 CB ASP A 37 9.032 -12.218 -3.430 1.00 0.00 C ATOM 607 CG ASP A 37 10.009 -13.275 -2.896 1.00 0.00 C ATOM 608 OD1 ASP A 37 10.015 -13.505 -1.695 1.00 0.00 O ATOM 609 OD2 ASP A 37 10.737 -13.836 -3.696 1.00 0.00 O ATOM 0 H ASP A 37 6.812 -10.943 -4.181 1.00 0.00 H new ATOM 0 HA ASP A 37 7.501 -13.775 -3.328 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.211 -12.046 -4.491 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.194 -11.268 -2.921 1.00 0.00 H new ATOM 614 N PRO A 38 6.436 -13.332 -1.157 1.00 0.00 N ATOM 615 CA PRO A 38 5.916 -13.154 0.234 1.00 0.00 C ATOM 616 C PRO A 38 7.032 -13.137 1.306 1.00 0.00 C ATOM 617 O PRO A 38 6.969 -12.355 2.237 1.00 0.00 O ATOM 618 CB PRO A 38 5.008 -14.372 0.427 1.00 0.00 C ATOM 619 CG PRO A 38 5.544 -15.403 -0.507 1.00 0.00 C ATOM 620 CD PRO A 38 6.073 -14.660 -1.694 1.00 0.00 C ATOM 0 HA PRO A 38 5.411 -12.195 0.352 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.032 -14.723 1.459 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.970 -14.131 0.196 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.332 -15.987 -0.031 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.763 -16.103 -0.803 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.937 -15.164 -2.127 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.323 -14.580 -2.481 1.00 0.00 H new ATOM 628 N SER A 39 8.031 -14.002 1.198 1.00 0.00 N ATOM 629 CA SER A 39 9.132 -14.044 2.235 1.00 0.00 C ATOM 630 C SER A 39 9.996 -12.764 2.228 1.00 0.00 C ATOM 631 O SER A 39 10.531 -12.381 3.255 1.00 0.00 O ATOM 632 CB SER A 39 9.980 -15.282 1.907 1.00 0.00 C ATOM 633 OG SER A 39 10.636 -15.109 0.655 1.00 0.00 O ATOM 0 H SER A 39 8.130 -14.677 0.440 1.00 0.00 H new ATOM 0 HA SER A 39 8.706 -14.100 3.237 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.717 -15.446 2.693 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.346 -16.168 1.875 1.00 0.00 H new ATOM 0 HG SER A 39 10.142 -14.457 0.114 1.00 0.00 H new ATOM 639 N GLN A 40 10.128 -12.096 1.096 1.00 0.00 N ATOM 640 CA GLN A 40 10.948 -10.835 1.040 1.00 0.00 C ATOM 641 C GLN A 40 10.140 -9.602 1.496 1.00 0.00 C ATOM 642 O GLN A 40 10.661 -8.510 1.489 1.00 0.00 O ATOM 643 CB GLN A 40 11.342 -10.664 -0.437 1.00 0.00 C ATOM 644 CG GLN A 40 12.833 -10.964 -0.625 1.00 0.00 C ATOM 645 CD GLN A 40 13.011 -12.378 -1.187 1.00 0.00 C ATOM 646 OE1 GLN A 40 13.214 -12.549 -2.371 1.00 0.00 O ATOM 647 NE2 GLN A 40 12.939 -13.409 -0.386 1.00 0.00 N ATOM 0 H GLN A 40 9.703 -12.371 0.211 1.00 0.00 H new ATOM 0 HA GLN A 40 11.808 -10.912 1.705 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.748 -11.333 -1.059 1.00 0.00 H new ATOM 0 HB3 GLN A 40 11.124 -9.647 -0.764 1.00 0.00 H new ATOM 0 HG2 GLN A 40 13.277 -10.235 -1.303 1.00 0.00 H new ATOM 0 HG3 GLN A 40 13.355 -10.873 0.328 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.769 -13.270 0.610 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.053 -14.352 -0.757 1.00 0.00 H new ATOM 656 N SER A 41 8.871 -9.754 1.850 1.00 0.00 N ATOM 657 CA SER A 41 8.032 -8.564 2.243 1.00 0.00 C ATOM 658 C SER A 41 8.630 -7.738 3.390 1.00 0.00 C ATOM 659 O SER A 41 8.698 -6.529 3.272 1.00 0.00 O ATOM 660 CB SER A 41 6.665 -9.137 2.647 1.00 0.00 C ATOM 661 OG SER A 41 6.799 -9.974 3.793 1.00 0.00 O ATOM 0 H SER A 41 8.385 -10.650 1.882 1.00 0.00 H new ATOM 0 HA SER A 41 7.969 -7.868 1.407 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.971 -8.324 2.861 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.243 -9.707 1.819 1.00 0.00 H new ATOM 0 HG SER A 41 6.878 -10.908 3.508 1.00 0.00 H new ATOM 667 N ALA A 42 9.066 -8.342 4.483 1.00 0.00 N ATOM 668 CA ALA A 42 9.669 -7.510 5.586 1.00 0.00 C ATOM 669 C ALA A 42 10.889 -6.764 5.051 1.00 0.00 C ATOM 670 O ALA A 42 11.010 -5.569 5.231 1.00 0.00 O ATOM 671 CB ALA A 42 10.136 -8.475 6.640 1.00 0.00 C ATOM 0 H ALA A 42 9.032 -9.347 4.655 1.00 0.00 H new ATOM 0 HA ALA A 42 8.946 -6.792 5.974 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.583 -7.923 7.466 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.287 -9.052 7.007 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.877 -9.151 6.212 1.00 0.00 H new ATOM 677 N ASN A 43 11.767 -7.474 4.353 1.00 0.00 N ATOM 678 CA ASN A 43 12.967 -6.827 3.734 1.00 0.00 C ATOM 679 C ASN A 43 12.506 -5.720 2.808 1.00 0.00 C ATOM 680 O ASN A 43 13.116 -4.689 2.746 1.00 0.00 O ATOM 681 CB ASN A 43 13.637 -7.898 2.885 1.00 0.00 C ATOM 682 CG ASN A 43 14.750 -8.588 3.677 1.00 0.00 C ATOM 683 OD1 ASN A 43 14.633 -9.747 4.020 1.00 0.00 O ATOM 684 ND2 ASN A 43 15.833 -7.924 3.987 1.00 0.00 N ATOM 0 H ASN A 43 11.694 -8.478 4.191 1.00 0.00 H new ATOM 0 HA ASN A 43 13.635 -6.420 4.493 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.898 -8.634 2.567 1.00 0.00 H new ATOM 0 HB3 ASN A 43 14.049 -7.449 1.981 1.00 0.00 H new ATOM 0 HD21 ASN A 43 16.577 -8.380 4.516 1.00 0.00 H new ATOM 0 HD22 ASN A 43 15.934 -6.950 3.700 1.00 0.00 H new ATOM 691 N LEU A 44 11.417 -5.951 2.098 1.00 0.00 N ATOM 692 CA LEU A 44 10.867 -4.921 1.168 1.00 0.00 C ATOM 693 C LEU A 44 10.421 -3.722 1.931 1.00 0.00 C ATOM 694 O LEU A 44 10.716 -2.611 1.536 1.00 0.00 O ATOM 695 CB LEU A 44 9.717 -5.575 0.446 1.00 0.00 C ATOM 696 CG LEU A 44 10.321 -6.451 -0.617 1.00 0.00 C ATOM 697 CD1 LEU A 44 9.218 -7.271 -1.255 1.00 0.00 C ATOM 698 CD2 LEU A 44 11.028 -5.542 -1.627 1.00 0.00 C ATOM 0 H LEU A 44 10.886 -6.822 2.130 1.00 0.00 H new ATOM 0 HA LEU A 44 11.618 -4.576 0.458 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.111 -6.163 1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.060 -4.826 0.004 1.00 0.00 H new ATOM 0 HG LEU A 44 11.053 -7.147 -0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.642 -7.912 -2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.738 -7.888 -0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.480 -6.604 -1.700 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.477 -6.150 -2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.305 -4.856 -2.068 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.806 -4.971 -1.120 1.00 0.00 H new ATOM 710 N LEU A 45 9.779 -3.919 3.055 1.00 0.00 N ATOM 711 CA LEU A 45 9.432 -2.730 3.848 1.00 0.00 C ATOM 712 C LEU A 45 10.744 -2.142 4.355 1.00 0.00 C ATOM 713 O LEU A 45 10.968 -0.993 4.185 1.00 0.00 O ATOM 714 CB LEU A 45 8.538 -3.178 4.987 1.00 0.00 C ATOM 715 CG LEU A 45 8.431 -2.071 6.044 1.00 0.00 C ATOM 716 CD1 LEU A 45 8.116 -0.720 5.374 1.00 0.00 C ATOM 717 CD2 LEU A 45 7.322 -2.437 7.024 1.00 0.00 C ATOM 0 H LEU A 45 9.494 -4.821 3.437 1.00 0.00 H new ATOM 0 HA LEU A 45 8.898 -1.973 3.274 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.547 -3.424 4.606 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.940 -4.085 5.439 1.00 0.00 H new ATOM 0 HG LEU A 45 9.379 -1.978 6.573 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.043 0.056 6.136 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.912 -0.467 4.674 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.170 -0.792 4.838 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.234 -1.658 7.782 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.378 -2.529 6.487 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.560 -3.386 7.505 1.00 0.00 H new ATOM 729 N ALA A 46 11.627 -2.940 4.925 1.00 0.00 N ATOM 730 CA ALA A 46 12.954 -2.399 5.404 1.00 0.00 C ATOM 731 C ALA A 46 13.681 -1.634 4.299 1.00 0.00 C ATOM 732 O ALA A 46 14.188 -0.571 4.547 1.00 0.00 O ATOM 733 CB ALA A 46 13.800 -3.617 5.731 1.00 0.00 C ATOM 0 H ALA A 46 11.489 -3.939 5.080 1.00 0.00 H new ATOM 0 HA ALA A 46 12.796 -1.726 6.246 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.779 -3.295 6.086 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.308 -4.204 6.507 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.921 -4.227 4.836 1.00 0.00 H new ATOM 739 N GLU A 47 13.727 -2.156 3.086 1.00 0.00 N ATOM 740 CA GLU A 47 14.408 -1.411 1.982 1.00 0.00 C ATOM 741 C GLU A 47 13.558 -0.185 1.647 1.00 0.00 C ATOM 742 O GLU A 47 14.094 0.875 1.411 1.00 0.00 O ATOM 743 CB GLU A 47 14.636 -2.367 0.800 1.00 0.00 C ATOM 744 CG GLU A 47 13.367 -2.991 0.286 1.00 0.00 C ATOM 745 CD GLU A 47 13.745 -4.180 -0.608 1.00 0.00 C ATOM 746 OE1 GLU A 47 13.929 -3.978 -1.795 1.00 0.00 O ATOM 747 OE2 GLU A 47 13.868 -5.276 -0.081 1.00 0.00 O ATOM 0 H GLU A 47 13.325 -3.056 2.822 1.00 0.00 H new ATOM 0 HA GLU A 47 15.395 -1.047 2.268 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.119 -1.822 -0.011 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.322 -3.156 1.107 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.743 -3.323 1.116 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.786 -2.261 -0.278 1.00 0.00 H new ATOM 754 N ALA A 48 12.235 -0.292 1.708 1.00 0.00 N ATOM 755 CA ALA A 48 11.387 0.911 1.504 1.00 0.00 C ATOM 756 C ALA A 48 11.635 1.909 2.667 1.00 0.00 C ATOM 757 O ALA A 48 11.740 3.098 2.451 1.00 0.00 O ATOM 758 CB ALA A 48 9.972 0.364 1.547 1.00 0.00 C ATOM 0 H ALA A 48 11.727 -1.158 1.889 1.00 0.00 H new ATOM 0 HA ALA A 48 11.592 1.446 0.576 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.262 1.179 1.405 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.842 -0.372 0.754 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.794 -0.108 2.513 1.00 0.00 H new ATOM 764 N LYS A 49 11.791 1.399 3.887 1.00 0.00 N ATOM 765 CA LYS A 49 12.106 2.239 5.091 1.00 0.00 C ATOM 766 C LYS A 49 13.498 2.840 4.873 1.00 0.00 C ATOM 767 O LYS A 49 13.745 4.010 5.090 1.00 0.00 O ATOM 768 CB LYS A 49 12.144 1.226 6.260 1.00 0.00 C ATOM 769 CG LYS A 49 10.747 0.679 6.589 1.00 0.00 C ATOM 770 CD LYS A 49 9.802 1.807 6.967 1.00 0.00 C ATOM 771 CE LYS A 49 10.251 2.414 8.295 1.00 0.00 C ATOM 772 NZ LYS A 49 10.092 3.892 8.144 1.00 0.00 N ATOM 0 H LYS A 49 11.708 0.403 4.091 1.00 0.00 H new ATOM 0 HA LYS A 49 11.396 3.045 5.276 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.806 0.399 6.003 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.563 1.707 7.144 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.351 0.139 5.729 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.815 -0.035 7.410 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.797 2.570 6.188 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.783 1.431 7.052 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.646 2.038 9.120 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.286 2.153 8.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.336 4.361 9.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.723 4.234 7.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.106 4.112 7.896 1.00 0.00 H new ATOM 786 N LYS A 50 14.377 2.004 4.373 1.00 0.00 N ATOM 787 CA LYS A 50 15.771 2.399 4.027 1.00 0.00 C ATOM 788 C LYS A 50 15.716 3.504 2.959 1.00 0.00 C ATOM 789 O LYS A 50 16.484 4.446 2.995 1.00 0.00 O ATOM 790 CB LYS A 50 16.370 1.078 3.495 1.00 0.00 C ATOM 791 CG LYS A 50 17.555 1.284 2.545 1.00 0.00 C ATOM 792 CD LYS A 50 17.605 0.093 1.566 1.00 0.00 C ATOM 793 CE LYS A 50 18.072 -1.173 2.306 1.00 0.00 C ATOM 794 NZ LYS A 50 18.281 -2.201 1.241 1.00 0.00 N ATOM 0 H LYS A 50 14.170 1.023 4.185 1.00 0.00 H new ATOM 0 HA LYS A 50 16.364 2.807 4.846 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.693 0.469 4.339 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.592 0.518 2.977 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.445 2.220 1.998 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.486 1.352 3.108 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.620 -0.072 1.130 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.284 0.315 0.743 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.993 -0.988 2.859 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.326 -1.503 3.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.600 -3.091 1.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.387 -2.364 0.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.001 -1.865 0.571 1.00 0.00 H new ATOM 808 N LEU A 51 14.782 3.393 2.028 1.00 0.00 N ATOM 809 CA LEU A 51 14.623 4.430 0.964 1.00 0.00 C ATOM 810 C LEU A 51 13.981 5.692 1.540 1.00 0.00 C ATOM 811 O LEU A 51 14.369 6.787 1.205 1.00 0.00 O ATOM 812 CB LEU A 51 13.690 3.801 -0.077 1.00 0.00 C ATOM 813 CG LEU A 51 14.468 3.182 -1.246 1.00 0.00 C ATOM 814 CD1 LEU A 51 15.800 2.587 -0.785 1.00 0.00 C ATOM 815 CD2 LEU A 51 13.629 2.069 -1.847 1.00 0.00 C ATOM 0 H LEU A 51 14.122 2.618 1.968 1.00 0.00 H new ATOM 0 HA LEU A 51 15.583 4.720 0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 51 13.080 3.034 0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 51 13.007 4.560 -0.458 1.00 0.00 H new ATOM 0 HG LEU A 51 14.674 3.966 -1.974 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.322 2.158 -1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.414 3.370 -0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 51 15.614 1.808 -0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.167 1.617 -2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.432 1.311 -1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.684 2.478 -2.204 1.00 0.00 H new ATOM 827 N ASN A 52 13.001 5.536 2.405 1.00 0.00 N ATOM 828 CA ASN A 52 12.320 6.724 3.015 1.00 0.00 C ATOM 829 C ASN A 52 13.342 7.570 3.797 1.00 0.00 C ATOM 830 O ASN A 52 13.303 8.778 3.740 1.00 0.00 O ATOM 831 CB ASN A 52 11.171 6.148 3.896 1.00 0.00 C ATOM 832 CG ASN A 52 11.417 6.333 5.406 1.00 0.00 C ATOM 833 OD1 ASN A 52 11.669 5.380 6.111 1.00 0.00 O ATOM 834 ND2 ASN A 52 11.333 7.518 5.936 1.00 0.00 N ATOM 0 H ASN A 52 12.644 4.632 2.714 1.00 0.00 H new ATOM 0 HA ASN A 52 11.898 7.404 2.275 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.234 6.634 3.624 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.053 5.086 3.680 1.00 0.00 H new ATOM 0 HD21 ASN A 52 11.479 7.640 6.938 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.121 8.325 5.349 1.00 0.00 H new ATOM 841 N ASP A 53 14.264 6.944 4.501 1.00 0.00 N ATOM 842 CA ASP A 53 15.298 7.724 5.266 1.00 0.00 C ATOM 843 C ASP A 53 16.460 8.161 4.353 1.00 0.00 C ATOM 844 O ASP A 53 16.956 9.267 4.476 1.00 0.00 O ATOM 845 CB ASP A 53 15.806 6.789 6.369 1.00 0.00 C ATOM 846 CG ASP A 53 14.660 6.394 7.325 1.00 0.00 C ATOM 847 OD1 ASP A 53 13.943 7.277 7.775 1.00 0.00 O ATOM 848 OD2 ASP A 53 14.524 5.213 7.592 1.00 0.00 O ATOM 0 H ASP A 53 14.344 5.930 4.578 1.00 0.00 H new ATOM 0 HA ASP A 53 14.868 8.637 5.678 1.00 0.00 H new ATOM 0 HB2 ASP A 53 16.238 5.893 5.922 1.00 0.00 H new ATOM 0 HB3 ASP A 53 16.601 7.280 6.930 1.00 0.00 H new ATOM 853 N ALA A 54 16.896 7.301 3.441 1.00 0.00 N ATOM 854 CA ALA A 54 18.027 7.671 2.514 1.00 0.00 C ATOM 855 C ALA A 54 17.568 8.755 1.528 1.00 0.00 C ATOM 856 O ALA A 54 18.200 9.790 1.405 1.00 0.00 O ATOM 857 CB ALA A 54 18.392 6.380 1.772 1.00 0.00 C ATOM 0 H ALA A 54 16.516 6.364 3.303 1.00 0.00 H new ATOM 0 HA ALA A 54 18.883 8.074 3.054 1.00 0.00 H new ATOM 0 HB1 ALA A 54 19.210 6.577 1.079 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.701 5.622 2.492 1.00 0.00 H new ATOM 0 HB3 ALA A 54 17.525 6.022 1.217 1.00 0.00 H new ATOM 863 N GLN A 55 16.449 8.536 0.858 1.00 0.00 N ATOM 864 CA GLN A 55 15.900 9.562 -0.097 1.00 0.00 C ATOM 865 C GLN A 55 15.441 10.817 0.678 1.00 0.00 C ATOM 866 O GLN A 55 15.389 11.899 0.117 1.00 0.00 O ATOM 867 CB GLN A 55 14.702 8.913 -0.805 1.00 0.00 C ATOM 868 CG GLN A 55 15.170 7.719 -1.658 1.00 0.00 C ATOM 869 CD GLN A 55 13.976 7.143 -2.424 1.00 0.00 C ATOM 870 OE1 GLN A 55 13.997 7.064 -3.635 1.00 0.00 O ATOM 871 NE2 GLN A 55 12.926 6.741 -1.763 1.00 0.00 N ATOM 0 H GLN A 55 15.892 7.685 0.935 1.00 0.00 H new ATOM 0 HA GLN A 55 16.659 9.873 -0.815 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.972 8.578 -0.068 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.203 9.647 -1.437 1.00 0.00 H new ATOM 0 HG2 GLN A 55 15.944 8.038 -2.356 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.611 6.953 -1.020 1.00 0.00 H new ATOM 0 HE21 GLN A 55 12.908 6.807 -0.745 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.123 6.360 -2.264 1.00 0.00 H new ATOM 880 N ALA A 56 15.096 10.671 1.956 1.00 0.00 N ATOM 881 CA ALA A 56 14.629 11.842 2.779 1.00 0.00 C ATOM 882 C ALA A 56 15.662 12.974 2.809 1.00 0.00 C ATOM 883 O ALA A 56 16.853 12.734 2.682 1.00 0.00 O ATOM 884 CB ALA A 56 14.432 11.328 4.207 1.00 0.00 C ATOM 0 H ALA A 56 15.121 9.783 2.458 1.00 0.00 H new ATOM 0 HA ALA A 56 13.714 12.243 2.344 1.00 0.00 H new ATOM 0 HB1 ALA A 56 14.092 12.145 4.844 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.687 10.533 4.208 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.377 10.940 4.588 1.00 0.00 H new ATOM 890 N PRO A 57 15.155 14.179 2.994 1.00 0.00 N ATOM 891 CA PRO A 57 16.025 15.383 3.067 1.00 0.00 C ATOM 892 C PRO A 57 16.749 15.446 4.432 1.00 0.00 C ATOM 893 O PRO A 57 16.417 16.243 5.297 1.00 0.00 O ATOM 894 CB PRO A 57 15.037 16.537 2.911 1.00 0.00 C ATOM 895 CG PRO A 57 13.740 15.997 3.419 1.00 0.00 C ATOM 896 CD PRO A 57 13.730 14.526 3.137 1.00 0.00 C ATOM 0 HA PRO A 57 16.812 15.397 2.313 1.00 0.00 H new ATOM 0 HB2 PRO A 57 15.354 17.409 3.482 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.955 16.850 1.870 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.638 16.184 4.488 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.900 16.488 2.928 1.00 0.00 H new ATOM 0 HD2 PRO A 57 13.263 13.968 3.948 1.00 0.00 H new ATOM 0 HD3 PRO A 57 13.171 14.298 2.230 1.00 0.00 H new ATOM 904 N LYS A 58 17.731 14.596 4.622 1.00 0.00 N ATOM 905 CA LYS A 58 18.499 14.567 5.914 1.00 0.00 C ATOM 906 C LYS A 58 19.925 15.108 5.708 1.00 0.00 C ATOM 907 O LYS A 58 20.608 14.632 4.809 1.00 0.00 O ATOM 908 CB LYS A 58 18.530 13.088 6.341 1.00 0.00 C ATOM 909 CG LYS A 58 17.111 12.609 6.676 1.00 0.00 C ATOM 910 CD LYS A 58 17.170 11.182 7.228 1.00 0.00 C ATOM 911 CE LYS A 58 15.745 10.650 7.436 1.00 0.00 C ATOM 912 NZ LYS A 58 15.867 9.564 8.455 1.00 0.00 N ATOM 913 OXT LYS A 58 20.310 15.991 6.454 1.00 0.00 O ATOM 0 H LYS A 58 18.038 13.912 3.930 1.00 0.00 H new ATOM 0 HA LYS A 58 18.035 15.194 6.675 1.00 0.00 H new ATOM 0 HB2 LYS A 58 18.949 12.478 5.540 1.00 0.00 H new ATOM 0 HB3 LYS A 58 19.179 12.965 7.208 1.00 0.00 H new ATOM 0 HG2 LYS A 58 16.655 13.275 7.408 1.00 0.00 H new ATOM 0 HG3 LYS A 58 16.485 12.640 5.784 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.713 10.536 6.537 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.715 11.169 8.172 1.00 0.00 H new ATOM 0 HE2 LYS A 58 15.078 11.440 7.783 1.00 0.00 H new ATOM 0 HE3 LYS A 58 15.329 10.268 6.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.172 8.817 8.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 16.826 9.163 8.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 15.688 9.955 9.402 1.00 0.00 H new TER 927 LYS A 58 ATOM 928 N VAL B 1 -1.248 -1.607 -21.432 1.00 0.00 N ATOM 929 CA VAL B 1 0.229 -1.879 -21.367 1.00 0.00 C ATOM 930 C VAL B 1 0.561 -2.692 -20.098 1.00 0.00 C ATOM 931 O VAL B 1 1.086 -3.788 -20.188 1.00 0.00 O ATOM 932 CB VAL B 1 0.919 -0.492 -21.343 1.00 0.00 C ATOM 933 CG1 VAL B 1 2.427 -0.655 -21.101 1.00 0.00 C ATOM 934 CG2 VAL B 1 0.709 0.219 -22.687 1.00 0.00 C ATOM 0 H1 VAL B 1 -1.524 -1.423 -22.418 1.00 0.00 H new ATOM 0 H2 VAL B 1 -1.769 -2.433 -21.075 1.00 0.00 H new ATOM 0 H3 VAL B 1 -1.474 -0.776 -20.849 1.00 0.00 H new ATOM 0 HA VAL B 1 0.574 -2.467 -22.218 1.00 0.00 H new ATOM 0 HB VAL B 1 0.481 0.098 -20.538 1.00 0.00 H new ATOM 0 HG11 VAL B 1 2.901 0.326 -21.086 1.00 0.00 H new ATOM 0 HG12 VAL B 1 2.590 -1.152 -20.145 1.00 0.00 H new ATOM 0 HG13 VAL B 1 2.861 -1.256 -21.900 1.00 0.00 H new ATOM 0 HG21 VAL B 1 1.197 1.194 -22.663 1.00 0.00 H new ATOM 0 HG22 VAL B 1 1.139 -0.382 -23.488 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -0.358 0.352 -22.866 1.00 0.00 H new ATOM 946 N ASP B 2 0.252 -2.162 -18.924 1.00 0.00 N ATOM 947 CA ASP B 2 0.543 -2.905 -17.653 1.00 0.00 C ATOM 948 C ASP B 2 -0.579 -3.912 -17.358 1.00 0.00 C ATOM 949 O ASP B 2 -1.735 -3.545 -17.235 1.00 0.00 O ATOM 950 CB ASP B 2 0.612 -1.837 -16.546 1.00 0.00 C ATOM 951 CG ASP B 2 1.060 -2.481 -15.225 1.00 0.00 C ATOM 952 OD1 ASP B 2 0.214 -3.037 -14.540 1.00 0.00 O ATOM 953 OD2 ASP B 2 2.240 -2.413 -14.923 1.00 0.00 O ATOM 0 H ASP B 2 -0.187 -1.250 -18.799 1.00 0.00 H new ATOM 0 HA ASP B 2 1.473 -3.469 -17.721 1.00 0.00 H new ATOM 0 HB2 ASP B 2 1.309 -1.049 -16.832 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -0.364 -1.368 -16.420 1.00 0.00 H new ATOM 958 N ASN B 3 -0.231 -5.175 -17.232 1.00 0.00 N ATOM 959 CA ASN B 3 -1.256 -6.228 -16.927 1.00 0.00 C ATOM 960 C ASN B 3 -0.924 -6.902 -15.582 1.00 0.00 C ATOM 961 O ASN B 3 -0.949 -8.118 -15.454 1.00 0.00 O ATOM 962 CB ASN B 3 -1.175 -7.221 -18.100 1.00 0.00 C ATOM 963 CG ASN B 3 -1.667 -6.546 -19.389 1.00 0.00 C ATOM 964 OD1 ASN B 3 -0.885 -6.255 -20.272 1.00 0.00 O ATOM 965 ND2 ASN B 3 -2.940 -6.283 -19.538 1.00 0.00 N ATOM 0 H ASN B 3 0.723 -5.522 -17.328 1.00 0.00 H new ATOM 0 HA ASN B 3 -2.264 -5.824 -16.829 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -0.148 -7.564 -18.228 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -1.781 -8.101 -17.886 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -3.272 -5.836 -20.393 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -3.601 -6.525 -18.800 1.00 0.00 H new ATOM 972 N LYS B 4 -0.609 -6.105 -14.578 1.00 0.00 N ATOM 973 CA LYS B 4 -0.263 -6.657 -13.227 1.00 0.00 C ATOM 974 C LYS B 4 -0.991 -5.863 -12.126 1.00 0.00 C ATOM 975 O LYS B 4 -1.018 -4.643 -12.145 1.00 0.00 O ATOM 976 CB LYS B 4 1.261 -6.482 -13.112 1.00 0.00 C ATOM 977 CG LYS B 4 1.807 -7.313 -11.942 1.00 0.00 C ATOM 978 CD LYS B 4 1.869 -8.795 -12.340 1.00 0.00 C ATOM 979 CE LYS B 4 2.619 -9.596 -11.262 1.00 0.00 C ATOM 980 NZ LYS B 4 1.596 -9.947 -10.228 1.00 0.00 N ATOM 0 H LYS B 4 -0.578 -5.087 -14.642 1.00 0.00 H new ATOM 0 HA LYS B 4 -0.563 -7.698 -13.111 1.00 0.00 H new ATOM 0 HB2 LYS B 4 1.740 -6.791 -14.041 1.00 0.00 H new ATOM 0 HB3 LYS B 4 1.503 -5.430 -12.963 1.00 0.00 H new ATOM 0 HG2 LYS B 4 2.800 -6.960 -11.665 1.00 0.00 H new ATOM 0 HG3 LYS B 4 1.169 -7.188 -11.067 1.00 0.00 H new ATOM 0 HD2 LYS B 4 0.861 -9.190 -12.463 1.00 0.00 H new ATOM 0 HD3 LYS B 4 2.373 -8.902 -13.301 1.00 0.00 H new ATOM 0 HE2 LYS B 4 3.071 -10.493 -11.685 1.00 0.00 H new ATOM 0 HE3 LYS B 4 3.427 -9.007 -10.828 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 2.058 -10.435 -9.434 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 1.139 -9.079 -9.883 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 0.878 -10.572 -10.648 1.00 0.00 H new ATOM 994 N PHE B 5 -1.571 -6.558 -11.164 1.00 0.00 N ATOM 995 CA PHE B 5 -2.298 -5.872 -10.039 1.00 0.00 C ATOM 996 C PHE B 5 -1.349 -5.062 -9.142 1.00 0.00 C ATOM 997 O PHE B 5 -1.785 -4.168 -8.441 1.00 0.00 O ATOM 998 CB PHE B 5 -2.953 -6.995 -9.229 1.00 0.00 C ATOM 999 CG PHE B 5 -4.200 -7.487 -9.933 1.00 0.00 C ATOM 1000 CD1 PHE B 5 -5.379 -6.735 -9.868 1.00 0.00 C ATOM 1001 CD2 PHE B 5 -4.179 -8.691 -10.645 1.00 0.00 C ATOM 1002 CE1 PHE B 5 -6.534 -7.185 -10.515 1.00 0.00 C ATOM 1003 CE2 PHE B 5 -5.334 -9.142 -11.292 1.00 0.00 C ATOM 1004 CZ PHE B 5 -6.513 -8.389 -11.227 1.00 0.00 C ATOM 0 H PHE B 5 -1.571 -7.577 -11.112 1.00 0.00 H new ATOM 0 HA PHE B 5 -3.023 -5.159 -10.432 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -2.250 -7.818 -9.100 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -3.207 -6.634 -8.232 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -5.396 -5.806 -9.317 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -3.270 -9.273 -10.695 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -7.442 -6.603 -10.465 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -5.317 -10.071 -11.842 1.00 0.00 H new ATOM 0 HZ PHE B 5 -7.405 -8.737 -11.726 1.00 0.00 H new ATOM 1014 N ASN B 6 -0.068 -5.375 -9.150 1.00 0.00 N ATOM 1015 CA ASN B 6 0.918 -4.624 -8.287 1.00 0.00 C ATOM 1016 C ASN B 6 0.919 -3.135 -8.664 1.00 0.00 C ATOM 1017 O ASN B 6 0.935 -2.271 -7.802 1.00 0.00 O ATOM 1018 CB ASN B 6 2.303 -5.252 -8.537 1.00 0.00 C ATOM 1019 CG ASN B 6 2.278 -6.784 -8.334 1.00 0.00 C ATOM 1020 OD1 ASN B 6 1.376 -7.323 -7.734 1.00 0.00 O ATOM 1021 ND2 ASN B 6 3.236 -7.517 -8.836 1.00 0.00 N ATOM 0 H ASN B 6 0.339 -6.119 -9.717 1.00 0.00 H new ATOM 0 HA ASN B 6 0.652 -4.694 -7.232 1.00 0.00 H new ATOM 0 HB2 ASN B 6 2.629 -5.024 -9.552 1.00 0.00 H new ATOM 0 HB3 ASN B 6 3.033 -4.807 -7.861 1.00 0.00 H new ATOM 0 HD21 ASN B 6 3.217 -8.530 -8.720 1.00 0.00 H new ATOM 0 HD22 ASN B 6 4.003 -7.076 -9.344 1.00 0.00 H new ATOM 1028 N LYS B 7 0.844 -2.839 -9.945 1.00 0.00 N ATOM 1029 CA LYS B 7 0.773 -1.408 -10.411 1.00 0.00 C ATOM 1030 C LYS B 7 -0.501 -0.760 -9.867 1.00 0.00 C ATOM 1031 O LYS B 7 -0.507 0.397 -9.488 1.00 0.00 O ATOM 1032 CB LYS B 7 0.737 -1.459 -11.945 1.00 0.00 C ATOM 1033 CG LYS B 7 0.739 -0.034 -12.524 1.00 0.00 C ATOM 1034 CD LYS B 7 2.117 0.608 -12.323 1.00 0.00 C ATOM 1035 CE LYS B 7 1.992 2.140 -12.363 1.00 0.00 C ATOM 1036 NZ LYS B 7 1.876 2.570 -10.934 1.00 0.00 N ATOM 0 H LYS B 7 0.829 -3.532 -10.694 1.00 0.00 H new ATOM 0 HA LYS B 7 1.622 -0.821 -10.060 1.00 0.00 H new ATOM 0 HB2 LYS B 7 1.599 -2.012 -12.318 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -0.153 -1.993 -12.278 1.00 0.00 H new ATOM 0 HG2 LYS B 7 0.493 -0.063 -13.585 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -0.027 0.568 -12.035 1.00 0.00 H new ATOM 0 HD2 LYS B 7 2.538 0.294 -11.368 1.00 0.00 H new ATOM 0 HD3 LYS B 7 2.802 0.270 -13.100 1.00 0.00 H new ATOM 0 HE2 LYS B 7 2.862 2.592 -12.839 1.00 0.00 H new ATOM 0 HE3 LYS B 7 1.118 2.447 -12.937 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 1.473 3.528 -10.891 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 1.256 1.910 -10.422 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 2.818 2.571 -10.494 1.00 0.00 H new ATOM 1050 N GLU B 8 -1.566 -1.522 -9.813 1.00 0.00 N ATOM 1051 CA GLU B 8 -2.855 -1.004 -9.274 1.00 0.00 C ATOM 1052 C GLU B 8 -2.724 -0.665 -7.790 1.00 0.00 C ATOM 1053 O GLU B 8 -3.323 0.276 -7.341 1.00 0.00 O ATOM 1054 CB GLU B 8 -3.891 -2.113 -9.493 1.00 0.00 C ATOM 1055 CG GLU B 8 -4.833 -1.722 -10.632 1.00 0.00 C ATOM 1056 CD GLU B 8 -6.135 -2.528 -10.531 1.00 0.00 C ATOM 1057 OE1 GLU B 8 -6.100 -3.720 -10.794 1.00 0.00 O ATOM 1058 OE2 GLU B 8 -7.147 -1.935 -10.191 1.00 0.00 O ATOM 0 H GLU B 8 -1.594 -2.493 -10.124 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.153 -0.085 -9.779 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -3.389 -3.051 -9.730 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -4.460 -2.278 -8.578 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -5.051 -0.655 -10.586 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -4.353 -1.908 -11.593 1.00 0.00 H new ATOM 1065 N LEU B 9 -1.923 -1.392 -7.042 1.00 0.00 N ATOM 1066 CA LEU B 9 -1.751 -1.047 -5.586 1.00 0.00 C ATOM 1067 C LEU B 9 -0.940 0.236 -5.447 1.00 0.00 C ATOM 1068 O LEU B 9 -1.120 0.982 -4.508 1.00 0.00 O ATOM 1069 CB LEU B 9 -0.997 -2.168 -4.880 1.00 0.00 C ATOM 1070 CG LEU B 9 -1.566 -3.552 -5.202 1.00 0.00 C ATOM 1071 CD1 LEU B 9 -0.550 -4.615 -4.739 1.00 0.00 C ATOM 1072 CD2 LEU B 9 -2.900 -3.709 -4.448 1.00 0.00 C ATOM 0 H LEU B 9 -1.388 -2.197 -7.368 1.00 0.00 H new ATOM 0 HA LEU B 9 -2.737 -0.914 -5.140 1.00 0.00 H new ATOM 0 HB2 LEU B 9 0.053 -2.134 -5.170 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.035 -2.005 -3.803 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.742 -3.672 -6.271 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -0.938 -5.609 -4.960 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.394 -4.469 -5.264 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.387 -4.519 -3.665 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.326 -4.689 -4.662 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -2.725 -3.615 -3.376 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -3.594 -2.934 -4.772 1.00 0.00 H new ATOM 1084 N SER B 10 -0.059 0.508 -6.388 1.00 0.00 N ATOM 1085 CA SER B 10 0.737 1.764 -6.321 1.00 0.00 C ATOM 1086 C SER B 10 -0.231 2.956 -6.443 1.00 0.00 C ATOM 1087 O SER B 10 -0.161 3.903 -5.677 1.00 0.00 O ATOM 1088 CB SER B 10 1.708 1.689 -7.505 1.00 0.00 C ATOM 1089 OG SER B 10 2.182 2.992 -7.827 1.00 0.00 O ATOM 0 H SER B 10 0.136 -0.088 -7.192 1.00 0.00 H new ATOM 0 HA SER B 10 1.288 1.888 -5.389 1.00 0.00 H new ATOM 0 HB2 SER B 10 2.547 1.038 -7.258 1.00 0.00 H new ATOM 0 HB3 SER B 10 1.208 1.251 -8.369 1.00 0.00 H new ATOM 0 HG SER B 10 1.586 3.403 -8.488 1.00 0.00 H new ATOM 1095 N VAL B 11 -1.154 2.883 -7.390 1.00 0.00 N ATOM 1096 CA VAL B 11 -2.157 3.987 -7.593 1.00 0.00 C ATOM 1097 C VAL B 11 -3.317 3.856 -6.584 1.00 0.00 C ATOM 1098 O VAL B 11 -3.636 4.795 -5.879 1.00 0.00 O ATOM 1099 CB VAL B 11 -2.664 3.809 -9.043 1.00 0.00 C ATOM 1100 CG1 VAL B 11 -3.538 5.003 -9.434 1.00 0.00 C ATOM 1101 CG2 VAL B 11 -1.473 3.710 -10.012 1.00 0.00 C ATOM 0 H VAL B 11 -1.252 2.098 -8.033 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.720 4.973 -7.436 1.00 0.00 H new ATOM 0 HB VAL B 11 -3.250 2.892 -9.101 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -3.894 4.874 -10.456 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -4.391 5.066 -8.758 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -2.953 5.920 -9.366 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -1.842 3.585 -11.030 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -0.878 4.621 -9.951 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -0.855 2.854 -9.742 1.00 0.00 H new ATOM 1111 N ALA B 12 -3.942 2.694 -6.524 1.00 0.00 N ATOM 1112 CA ALA B 12 -5.089 2.465 -5.575 1.00 0.00 C ATOM 1113 C ALA B 12 -4.633 2.553 -4.129 1.00 0.00 C ATOM 1114 O ALA B 12 -5.213 3.258 -3.333 1.00 0.00 O ATOM 1115 CB ALA B 12 -5.603 1.044 -5.868 1.00 0.00 C ATOM 0 H ALA B 12 -3.702 1.887 -7.099 1.00 0.00 H new ATOM 0 HA ALA B 12 -5.861 3.222 -5.715 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -6.440 0.817 -5.208 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -5.932 0.983 -6.905 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -4.802 0.325 -5.698 1.00 0.00 H new ATOM 1121 N GLY B 13 -3.600 1.833 -3.801 1.00 0.00 N ATOM 1122 CA GLY B 13 -3.072 1.806 -2.415 1.00 0.00 C ATOM 1123 C GLY B 13 -2.605 3.177 -1.970 1.00 0.00 C ATOM 1124 O GLY B 13 -3.018 3.644 -0.932 1.00 0.00 O ATOM 0 H GLY B 13 -3.086 1.245 -4.457 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -3.846 1.447 -1.737 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -2.243 1.101 -2.354 1.00 0.00 H new ATOM 1128 N ARG B 14 -1.729 3.808 -2.721 1.00 0.00 N ATOM 1129 CA ARG B 14 -1.206 5.145 -2.284 1.00 0.00 C ATOM 1130 C ARG B 14 -2.320 6.207 -2.178 1.00 0.00 C ATOM 1131 O ARG B 14 -2.306 7.013 -1.264 1.00 0.00 O ATOM 1132 CB ARG B 14 -0.148 5.550 -3.304 1.00 0.00 C ATOM 1133 CG ARG B 14 0.704 6.696 -2.744 1.00 0.00 C ATOM 1134 CD ARG B 14 1.369 6.288 -1.423 1.00 0.00 C ATOM 1135 NE ARG B 14 2.805 6.693 -1.543 1.00 0.00 N ATOM 1136 CZ ARG B 14 3.182 7.914 -1.253 1.00 0.00 C ATOM 1137 NH1 ARG B 14 3.264 8.815 -2.203 1.00 0.00 N ATOM 1138 NH2 ARG B 14 3.483 8.228 -0.016 1.00 0.00 N ATOM 0 H ARG B 14 -1.358 3.461 -3.605 1.00 0.00 H new ATOM 0 HA ARG B 14 -0.783 5.074 -1.282 1.00 0.00 H new ATOM 0 HB2 ARG B 14 0.486 4.696 -3.542 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -0.626 5.861 -4.233 1.00 0.00 H new ATOM 0 HG2 ARG B 14 1.468 6.975 -3.470 1.00 0.00 H new ATOM 0 HG3 ARG B 14 0.079 7.575 -2.585 1.00 0.00 H new ATOM 0 HD2 ARG B 14 0.893 6.784 -0.577 1.00 0.00 H new ATOM 0 HD3 ARG B 14 1.279 5.215 -1.256 1.00 0.00 H new ATOM 0 HE ARG B 14 3.497 6.011 -1.854 1.00 0.00 H new ATOM 0 HH11 ARG B 14 3.035 8.564 -3.165 1.00 0.00 H new ATOM 0 HH12 ARG B 14 3.557 9.766 -1.980 1.00 0.00 H new ATOM 0 HH21 ARG B 14 3.423 7.522 0.718 1.00 0.00 H new ATOM 0 HH22 ARG B 14 3.777 9.178 0.212 1.00 0.00 H new ATOM 1152 N GLU B 15 -3.294 6.211 -3.071 1.00 0.00 N ATOM 1153 CA GLU B 15 -4.411 7.218 -2.945 1.00 0.00 C ATOM 1154 C GLU B 15 -5.248 6.869 -1.696 1.00 0.00 C ATOM 1155 O GLU B 15 -5.584 7.738 -0.911 1.00 0.00 O ATOM 1156 CB GLU B 15 -5.233 7.116 -4.231 1.00 0.00 C ATOM 1157 CG GLU B 15 -4.460 7.767 -5.387 1.00 0.00 C ATOM 1158 CD GLU B 15 -5.326 7.800 -6.652 1.00 0.00 C ATOM 1159 OE1 GLU B 15 -6.298 8.541 -6.670 1.00 0.00 O ATOM 1160 OE2 GLU B 15 -4.997 7.088 -7.584 1.00 0.00 O ATOM 0 H GLU B 15 -3.364 5.575 -3.865 1.00 0.00 H new ATOM 0 HA GLU B 15 -4.050 8.239 -2.823 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -5.440 6.071 -4.461 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -6.196 7.610 -4.100 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -4.166 8.780 -5.112 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -3.543 7.210 -5.580 1.00 0.00 H new ATOM 1167 N ILE B 16 -5.504 5.586 -1.476 1.00 0.00 N ATOM 1168 CA ILE B 16 -6.231 5.124 -0.234 1.00 0.00 C ATOM 1169 C ILE B 16 -5.347 5.436 1.009 1.00 0.00 C ATOM 1170 O ILE B 16 -5.844 5.666 2.096 1.00 0.00 O ATOM 1171 CB ILE B 16 -6.432 3.598 -0.427 1.00 0.00 C ATOM 1172 CG1 ILE B 16 -7.442 3.356 -1.562 1.00 0.00 C ATOM 1173 CG2 ILE B 16 -6.972 2.954 0.854 1.00 0.00 C ATOM 1174 CD1 ILE B 16 -7.372 1.909 -2.054 1.00 0.00 C ATOM 0 H ILE B 16 -5.236 4.835 -2.112 1.00 0.00 H new ATOM 0 HA ILE B 16 -7.189 5.622 -0.080 1.00 0.00 H new ATOM 0 HB ILE B 16 -5.468 3.153 -0.671 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -8.450 3.577 -1.211 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -7.236 4.036 -2.389 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -7.105 1.884 0.695 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -6.265 3.115 1.668 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -7.931 3.405 1.112 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -8.095 1.762 -2.856 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -6.369 1.699 -2.426 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -7.602 1.233 -1.230 1.00 0.00 H new ATOM 1186 N VAL B 17 -4.037 5.462 0.818 1.00 0.00 N ATOM 1187 CA VAL B 17 -3.053 5.769 1.916 1.00 0.00 C ATOM 1188 C VAL B 17 -3.134 7.242 2.348 1.00 0.00 C ATOM 1189 O VAL B 17 -2.877 7.550 3.499 1.00 0.00 O ATOM 1190 CB VAL B 17 -1.658 5.462 1.291 1.00 0.00 C ATOM 1191 CG1 VAL B 17 -0.526 6.278 1.934 1.00 0.00 C ATOM 1192 CG2 VAL B 17 -1.337 3.991 1.439 1.00 0.00 C ATOM 0 H VAL B 17 -3.600 5.276 -0.085 1.00 0.00 H new ATOM 0 HA VAL B 17 -3.252 5.181 2.812 1.00 0.00 H new ATOM 0 HB VAL B 17 -1.720 5.742 0.239 1.00 0.00 H new ATOM 0 HG11 VAL B 17 0.421 6.023 1.459 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -0.724 7.342 1.801 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -0.472 6.049 2.998 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -0.361 3.786 1.000 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -1.322 3.726 2.496 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -2.097 3.400 0.928 1.00 0.00 H new ATOM 1202 N THR B 18 -3.426 8.158 1.441 1.00 0.00 N ATOM 1203 CA THR B 18 -3.445 9.601 1.842 1.00 0.00 C ATOM 1204 C THR B 18 -4.583 10.424 1.193 1.00 0.00 C ATOM 1205 O THR B 18 -4.391 11.604 0.933 1.00 0.00 O ATOM 1206 CB THR B 18 -2.041 10.120 1.435 1.00 0.00 C ATOM 1207 OG1 THR B 18 -1.824 11.419 1.984 1.00 0.00 O ATOM 1208 CG2 THR B 18 -1.890 10.172 -0.097 1.00 0.00 C ATOM 0 H THR B 18 -3.647 7.969 0.463 1.00 0.00 H new ATOM 0 HA THR B 18 -3.649 9.710 2.907 1.00 0.00 H new ATOM 0 HB THR B 18 -1.297 9.428 1.830 1.00 0.00 H new ATOM 0 HG1 THR B 18 -2.617 11.975 1.832 1.00 0.00 H new ATOM 0 HG21 THR B 18 -0.896 10.540 -0.352 1.00 0.00 H new ATOM 0 HG22 THR B 18 -2.024 9.172 -0.510 1.00 0.00 H new ATOM 0 HG23 THR B 18 -2.643 10.841 -0.514 1.00 0.00 H new ATOM 1216 N LEU B 19 -5.779 9.871 0.968 1.00 0.00 N ATOM 1217 CA LEU B 19 -6.866 10.745 0.385 1.00 0.00 C ATOM 1218 C LEU B 19 -7.205 11.875 1.408 1.00 0.00 C ATOM 1219 O LEU B 19 -6.914 11.743 2.588 1.00 0.00 O ATOM 1220 CB LEU B 19 -8.058 9.846 0.014 1.00 0.00 C ATOM 1221 CG LEU B 19 -8.489 8.946 1.169 1.00 0.00 C ATOM 1222 CD1 LEU B 19 -10.003 8.996 1.265 1.00 0.00 C ATOM 1223 CD2 LEU B 19 -8.047 7.504 0.898 1.00 0.00 C ATOM 0 H LEU B 19 -6.033 8.901 1.155 1.00 0.00 H new ATOM 0 HA LEU B 19 -6.554 11.247 -0.530 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -8.899 10.469 -0.291 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -7.791 9.229 -0.844 1.00 0.00 H new ATOM 0 HG LEU B 19 -8.033 9.286 2.099 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -10.337 8.360 2.085 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -10.322 10.022 1.449 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -10.439 8.642 0.331 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -8.357 6.867 1.726 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -8.507 7.150 -0.025 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -6.962 7.468 0.800 1.00 0.00 H new ATOM 1235 N PRO B 20 -7.696 12.993 0.895 1.00 0.00 N ATOM 1236 CA PRO B 20 -7.934 14.226 1.732 1.00 0.00 C ATOM 1237 C PRO B 20 -8.880 14.089 2.946 1.00 0.00 C ATOM 1238 O PRO B 20 -8.777 14.892 3.859 1.00 0.00 O ATOM 1239 CB PRO B 20 -8.481 15.236 0.719 1.00 0.00 C ATOM 1240 CG PRO B 20 -9.037 14.400 -0.383 1.00 0.00 C ATOM 1241 CD PRO B 20 -8.111 13.224 -0.499 1.00 0.00 C ATOM 0 HA PRO B 20 -7.004 14.508 2.225 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -9.250 15.867 1.164 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -7.695 15.899 0.356 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -10.054 14.078 -0.157 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -9.080 14.960 -1.317 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -8.614 12.354 -0.920 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -7.259 13.442 -1.143 1.00 0.00 H new ATOM 1249 N ASN B 21 -9.799 13.143 2.988 1.00 0.00 N ATOM 1250 CA ASN B 21 -10.729 13.072 4.183 1.00 0.00 C ATOM 1251 C ASN B 21 -10.721 11.708 4.900 1.00 0.00 C ATOM 1252 O ASN B 21 -11.596 11.454 5.714 1.00 0.00 O ATOM 1253 CB ASN B 21 -12.131 13.334 3.623 1.00 0.00 C ATOM 1254 CG ASN B 21 -12.278 14.750 3.049 1.00 0.00 C ATOM 1255 OD1 ASN B 21 -11.506 15.643 3.346 1.00 0.00 O ATOM 1256 ND2 ASN B 21 -13.266 14.996 2.239 1.00 0.00 N ATOM 0 H ASN B 21 -9.947 12.433 2.270 1.00 0.00 H new ATOM 0 HA ASN B 21 -10.407 13.797 4.931 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -12.350 12.605 2.843 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -12.868 13.187 4.413 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -13.391 15.933 1.856 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -13.916 14.252 1.987 1.00 0.00 H new ATOM 1263 N LEU B 22 -9.770 10.829 4.638 1.00 0.00 N ATOM 1264 CA LEU B 22 -9.777 9.505 5.348 1.00 0.00 C ATOM 1265 C LEU B 22 -8.865 9.535 6.571 1.00 0.00 C ATOM 1266 O LEU B 22 -7.916 10.298 6.648 1.00 0.00 O ATOM 1267 CB LEU B 22 -9.259 8.468 4.367 1.00 0.00 C ATOM 1268 CG LEU B 22 -9.831 7.079 4.688 1.00 0.00 C ATOM 1269 CD1 LEU B 22 -11.098 6.835 3.864 1.00 0.00 C ATOM 1270 CD2 LEU B 22 -8.782 6.015 4.350 1.00 0.00 C ATOM 0 H LEU B 22 -9.006 10.969 3.977 1.00 0.00 H new ATOM 0 HA LEU B 22 -10.786 9.272 5.687 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -9.533 8.753 3.351 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -8.170 8.436 4.406 1.00 0.00 H new ATOM 0 HG LEU B 22 -10.082 7.024 5.747 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -11.499 5.848 4.096 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -11.841 7.595 4.106 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -10.857 6.888 2.802 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -9.181 5.026 4.575 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -8.533 6.073 3.290 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -7.884 6.188 4.943 1.00 0.00 H new ATOM 1282 N ASN B 23 -9.147 8.669 7.504 1.00 0.00 N ATOM 1283 CA ASN B 23 -8.305 8.569 8.749 1.00 0.00 C ATOM 1284 C ASN B 23 -7.354 7.352 8.659 1.00 0.00 C ATOM 1285 O ASN B 23 -7.556 6.456 7.855 1.00 0.00 O ATOM 1286 CB ASN B 23 -9.288 8.482 9.943 1.00 0.00 C ATOM 1287 CG ASN B 23 -10.162 7.211 9.909 1.00 0.00 C ATOM 1288 OD1 ASN B 23 -10.027 6.371 9.048 1.00 0.00 O ATOM 1289 ND2 ASN B 23 -11.069 7.036 10.832 1.00 0.00 N ATOM 0 H ASN B 23 -9.930 8.017 7.465 1.00 0.00 H new ATOM 0 HA ASN B 23 -7.658 9.437 8.876 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -8.723 8.504 10.875 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -9.933 9.361 9.941 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -11.653 6.200 10.821 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -11.194 7.736 11.564 1.00 0.00 H new ATOM 1296 N ASP B 24 -6.299 7.345 9.455 1.00 0.00 N ATOM 1297 CA ASP B 24 -5.282 6.231 9.409 1.00 0.00 C ATOM 1298 C ASP B 24 -5.851 4.794 9.643 1.00 0.00 C ATOM 1299 O ASP B 24 -5.346 3.877 9.016 1.00 0.00 O ATOM 1300 CB ASP B 24 -4.176 6.588 10.433 1.00 0.00 C ATOM 1301 CG ASP B 24 -4.699 6.586 11.875 1.00 0.00 C ATOM 1302 OD1 ASP B 24 -5.217 7.607 12.300 1.00 0.00 O ATOM 1303 OD2 ASP B 24 -4.563 5.566 12.534 1.00 0.00 O ATOM 0 H ASP B 24 -6.098 8.072 10.142 1.00 0.00 H new ATOM 0 HA ASP B 24 -4.891 6.171 8.393 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -3.357 5.874 10.344 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -3.769 7.571 10.197 1.00 0.00 H new ATOM 1308 N PRO B 25 -6.849 4.599 10.516 1.00 0.00 N ATOM 1309 CA PRO B 25 -7.376 3.214 10.739 1.00 0.00 C ATOM 1310 C PRO B 25 -8.107 2.663 9.495 1.00 0.00 C ATOM 1311 O PRO B 25 -7.963 1.490 9.164 1.00 0.00 O ATOM 1312 CB PRO B 25 -8.335 3.372 11.918 1.00 0.00 C ATOM 1313 CG PRO B 25 -8.750 4.803 11.884 1.00 0.00 C ATOM 1314 CD PRO B 25 -7.576 5.578 11.352 1.00 0.00 C ATOM 0 HA PRO B 25 -6.577 2.499 10.934 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -9.194 2.709 11.820 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -7.847 3.124 12.861 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -9.624 4.938 11.247 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -9.025 5.151 12.880 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -7.899 6.440 10.768 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -6.949 5.957 12.159 1.00 0.00 H new ATOM 1322 N GLN B 26 -8.886 3.485 8.801 1.00 0.00 N ATOM 1323 CA GLN B 26 -9.617 2.989 7.587 1.00 0.00 C ATOM 1324 C GLN B 26 -8.638 2.648 6.464 1.00 0.00 C ATOM 1325 O GLN B 26 -8.732 1.576 5.905 1.00 0.00 O ATOM 1326 CB GLN B 26 -10.586 4.105 7.183 1.00 0.00 C ATOM 1327 CG GLN B 26 -11.781 4.099 8.153 1.00 0.00 C ATOM 1328 CD GLN B 26 -12.637 5.361 8.006 1.00 0.00 C ATOM 1329 OE1 GLN B 26 -13.215 5.825 8.966 1.00 0.00 O ATOM 1330 NE2 GLN B 26 -12.761 5.935 6.846 1.00 0.00 N ATOM 0 H GLN B 26 -9.040 4.468 9.027 1.00 0.00 H new ATOM 0 HA GLN B 26 -10.162 2.069 7.796 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -10.082 5.071 7.211 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -10.930 3.954 6.160 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -12.396 3.219 7.967 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -11.417 4.023 9.178 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -12.279 5.552 6.033 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -13.341 6.769 6.749 1.00 0.00 H new ATOM 1339 N LYS B 27 -7.689 3.524 6.147 1.00 0.00 N ATOM 1340 CA LYS B 27 -6.692 3.196 5.060 1.00 0.00 C ATOM 1341 C LYS B 27 -5.903 1.936 5.400 1.00 0.00 C ATOM 1342 O LYS B 27 -5.595 1.164 4.519 1.00 0.00 O ATOM 1343 CB LYS B 27 -5.721 4.370 4.870 1.00 0.00 C ATOM 1344 CG LYS B 27 -5.235 5.002 6.180 1.00 0.00 C ATOM 1345 CD LYS B 27 -4.648 6.383 5.864 1.00 0.00 C ATOM 1346 CE LYS B 27 -5.782 7.403 5.638 1.00 0.00 C ATOM 1347 NZ LYS B 27 -5.510 8.050 4.322 1.00 0.00 N ATOM 0 H LYS B 27 -7.567 4.435 6.588 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.245 3.021 4.137 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -4.856 4.024 4.304 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -6.209 5.137 4.269 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -6.061 5.094 6.886 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -4.483 4.369 6.650 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -4.011 6.712 6.685 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -4.019 6.325 4.976 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -6.754 6.909 5.635 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -5.804 8.143 6.438 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -5.951 8.992 4.300 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -4.483 8.145 4.188 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -5.906 7.465 3.559 1.00 0.00 H new ATOM 1361 N LYS B 28 -5.582 1.717 6.659 1.00 0.00 N ATOM 1362 CA LYS B 28 -4.826 0.472 7.033 1.00 0.00 C ATOM 1363 C LYS B 28 -5.649 -0.752 6.606 1.00 0.00 C ATOM 1364 O LYS B 28 -5.204 -1.543 5.806 1.00 0.00 O ATOM 1365 CB LYS B 28 -4.679 0.476 8.570 1.00 0.00 C ATOM 1366 CG LYS B 28 -3.383 1.167 8.960 1.00 0.00 C ATOM 1367 CD LYS B 28 -2.404 0.177 9.595 1.00 0.00 C ATOM 1368 CE LYS B 28 -1.749 -0.666 8.499 1.00 0.00 C ATOM 1369 NZ LYS B 28 -0.404 -1.049 9.031 1.00 0.00 N ATOM 0 H LYS B 28 -5.808 2.339 7.435 1.00 0.00 H new ATOM 0 HA LYS B 28 -3.850 0.437 6.548 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.527 0.989 9.024 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -4.685 -0.546 8.948 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -2.928 1.619 8.079 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -3.594 1.975 9.660 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -1.642 0.714 10.160 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -2.928 -0.468 10.300 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -2.347 -1.549 8.275 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -1.657 -0.100 7.572 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 0.330 -0.481 8.561 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -0.373 -0.874 10.056 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -0.232 -2.058 8.847 1.00 0.00 H new ATOM 1383 N ALA B 29 -6.873 -0.880 7.103 1.00 0.00 N ATOM 1384 CA ALA B 29 -7.750 -2.038 6.691 1.00 0.00 C ATOM 1385 C ALA B 29 -8.006 -1.993 5.170 1.00 0.00 C ATOM 1386 O ALA B 29 -8.125 -3.020 4.527 1.00 0.00 O ATOM 1387 CB ALA B 29 -9.063 -1.852 7.463 1.00 0.00 C ATOM 0 H ALA B 29 -7.296 -0.236 7.771 1.00 0.00 H new ATOM 0 HA ALA B 29 -7.288 -3.000 6.911 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -9.750 -2.660 7.212 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -8.861 -1.867 8.534 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -9.512 -0.896 7.192 1.00 0.00 H new ATOM 1393 N PHE B 30 -8.073 -0.801 4.605 1.00 0.00 N ATOM 1394 CA PHE B 30 -8.302 -0.628 3.130 1.00 0.00 C ATOM 1395 C PHE B 30 -7.131 -1.189 2.327 1.00 0.00 C ATOM 1396 O PHE B 30 -7.314 -1.990 1.436 1.00 0.00 O ATOM 1397 CB PHE B 30 -8.373 0.890 2.917 1.00 0.00 C ATOM 1398 CG PHE B 30 -9.702 1.277 2.354 1.00 0.00 C ATOM 1399 CD1 PHE B 30 -9.953 1.076 1.002 1.00 0.00 C ATOM 1400 CD2 PHE B 30 -10.676 1.842 3.181 1.00 0.00 C ATOM 1401 CE1 PHE B 30 -11.185 1.437 0.469 1.00 0.00 C ATOM 1402 CE2 PHE B 30 -11.910 2.208 2.648 1.00 0.00 C ATOM 1403 CZ PHE B 30 -12.166 2.005 1.291 1.00 0.00 C ATOM 0 H PHE B 30 -7.976 0.075 5.118 1.00 0.00 H new ATOM 0 HA PHE B 30 -9.202 -1.150 2.804 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -8.209 1.404 3.864 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -7.579 1.206 2.241 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -9.194 0.641 0.368 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -10.473 1.995 4.231 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -11.386 1.279 -0.580 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -12.666 2.647 3.282 1.00 0.00 H new ATOM 0 HZ PHE B 30 -13.122 2.286 0.874 1.00 0.00 H new ATOM 1413 N ILE B 31 -5.933 -0.767 2.642 1.00 0.00 N ATOM 1414 CA ILE B 31 -4.728 -1.272 1.920 1.00 0.00 C ATOM 1415 C ILE B 31 -4.577 -2.766 2.189 1.00 0.00 C ATOM 1416 O ILE B 31 -4.261 -3.527 1.300 1.00 0.00 O ATOM 1417 CB ILE B 31 -3.549 -0.491 2.504 1.00 0.00 C ATOM 1418 CG1 ILE B 31 -3.497 0.894 1.826 1.00 0.00 C ATOM 1419 CG2 ILE B 31 -2.219 -1.262 2.304 1.00 0.00 C ATOM 1420 CD1 ILE B 31 -2.066 1.316 1.598 1.00 0.00 C ATOM 0 H ILE B 31 -5.737 -0.087 3.377 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.793 -1.137 0.840 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.686 -0.366 3.578 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -4.029 0.860 0.875 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -4.005 1.630 2.449 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -1.397 -0.685 2.728 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -2.280 -2.229 2.804 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -2.044 -1.415 1.239 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -2.047 2.295 1.119 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.546 1.370 2.554 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.570 0.588 0.956 1.00 0.00 H new ATOM 1432 N PHE B 32 -4.798 -3.180 3.420 1.00 0.00 N ATOM 1433 CA PHE B 32 -4.677 -4.622 3.761 1.00 0.00 C ATOM 1434 C PHE B 32 -5.721 -5.428 2.945 1.00 0.00 C ATOM 1435 O PHE B 32 -5.423 -6.519 2.500 1.00 0.00 O ATOM 1436 CB PHE B 32 -4.852 -4.706 5.294 1.00 0.00 C ATOM 1437 CG PHE B 32 -3.506 -4.400 5.979 1.00 0.00 C ATOM 1438 CD1 PHE B 32 -2.861 -3.129 5.822 1.00 0.00 C ATOM 1439 CD2 PHE B 32 -2.876 -5.390 6.788 1.00 0.00 C ATOM 1440 CE1 PHE B 32 -1.646 -2.897 6.437 1.00 0.00 C ATOM 1441 CE2 PHE B 32 -1.659 -5.116 7.389 1.00 0.00 C ATOM 1442 CZ PHE B 32 -1.051 -3.889 7.211 1.00 0.00 C ATOM 0 H PHE B 32 -5.057 -2.573 4.198 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.714 -5.061 3.499 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -5.611 -3.996 5.624 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -5.200 -5.699 5.578 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -3.323 -2.356 5.225 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -3.347 -6.351 6.932 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -1.156 -1.942 6.317 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.182 -5.867 8.001 1.00 0.00 H new ATOM 0 HZ PHE B 32 -0.098 -3.696 7.680 1.00 0.00 H new ATOM 1452 N SER B 33 -6.906 -4.872 2.655 1.00 0.00 N ATOM 1453 CA SER B 33 -7.876 -5.619 1.770 1.00 0.00 C ATOM 1454 C SER B 33 -7.427 -5.456 0.289 1.00 0.00 C ATOM 1455 O SER B 33 -7.549 -6.373 -0.500 1.00 0.00 O ATOM 1456 CB SER B 33 -9.271 -5.018 2.024 1.00 0.00 C ATOM 1457 OG SER B 33 -9.329 -3.680 1.566 1.00 0.00 O ATOM 0 H SER B 33 -7.225 -3.962 2.987 1.00 0.00 H new ATOM 0 HA SER B 33 -7.903 -6.687 1.987 1.00 0.00 H new ATOM 0 HB2 SER B 33 -10.028 -5.615 1.515 1.00 0.00 H new ATOM 0 HB3 SER B 33 -9.500 -5.053 3.089 1.00 0.00 H new ATOM 0 HG SER B 33 -8.490 -3.223 1.785 1.00 0.00 H new ATOM 1463 N LEU B 34 -6.850 -4.302 -0.059 1.00 0.00 N ATOM 1464 CA LEU B 34 -6.309 -4.057 -1.453 1.00 0.00 C ATOM 1465 C LEU B 34 -5.166 -5.047 -1.736 1.00 0.00 C ATOM 1466 O LEU B 34 -5.072 -5.603 -2.818 1.00 0.00 O ATOM 1467 CB LEU B 34 -5.809 -2.587 -1.414 1.00 0.00 C ATOM 1468 CG LEU B 34 -4.972 -2.209 -2.636 1.00 0.00 C ATOM 1469 CD1 LEU B 34 -5.871 -2.018 -3.860 1.00 0.00 C ATOM 1470 CD2 LEU B 34 -4.234 -0.894 -2.355 1.00 0.00 C ATOM 0 H LEU B 34 -6.733 -3.514 0.578 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.045 -4.204 -2.244 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.667 -1.919 -1.347 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -5.216 -2.435 -0.513 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.260 -3.010 -2.835 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.260 -1.749 -4.722 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -6.404 -2.946 -4.068 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -6.590 -1.223 -3.663 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.635 -0.620 -3.224 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.959 -0.106 -2.151 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.582 -1.020 -1.490 1.00 0.00 H new ATOM 1482 N TRP B 35 -4.322 -5.284 -0.751 1.00 0.00 N ATOM 1483 CA TRP B 35 -3.196 -6.253 -0.903 1.00 0.00 C ATOM 1484 C TRP B 35 -3.725 -7.692 -1.046 1.00 0.00 C ATOM 1485 O TRP B 35 -3.247 -8.452 -1.867 1.00 0.00 O ATOM 1486 CB TRP B 35 -2.384 -6.146 0.384 1.00 0.00 C ATOM 1487 CG TRP B 35 -1.159 -6.966 0.212 1.00 0.00 C ATOM 1488 CD1 TRP B 35 -0.905 -8.139 0.826 1.00 0.00 C ATOM 1489 CD2 TRP B 35 -0.036 -6.711 -0.662 1.00 0.00 C ATOM 1490 NE1 TRP B 35 0.311 -8.609 0.395 1.00 0.00 N ATOM 1491 CE2 TRP B 35 0.893 -7.756 -0.516 1.00 0.00 C ATOM 1492 CE3 TRP B 35 0.266 -5.671 -1.548 1.00 0.00 C ATOM 1493 CZ2 TRP B 35 2.082 -7.767 -1.227 1.00 0.00 C ATOM 1494 CZ3 TRP B 35 1.459 -5.680 -2.264 1.00 0.00 C ATOM 1495 CH2 TRP B 35 2.364 -6.719 -2.101 1.00 0.00 C ATOM 0 H TRP B 35 -4.373 -4.836 0.164 1.00 0.00 H new ATOM 0 HA TRP B 35 -2.607 -6.028 -1.792 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -2.124 -5.107 0.587 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -2.966 -6.501 1.234 1.00 0.00 H new ATOM 0 HD1 TRP B 35 -1.551 -8.628 1.539 1.00 0.00 H new ATOM 0 HE1 TRP B 35 0.732 -9.483 0.711 1.00 0.00 H new ATOM 0 HE3 TRP B 35 -0.431 -4.856 -1.677 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 2.783 -8.579 -1.105 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 1.681 -4.875 -2.949 1.00 0.00 H new ATOM 0 HH2 TRP B 35 3.292 -6.715 -2.654 1.00 0.00 H new ATOM 1506 N ASP B 36 -4.695 -8.064 -0.228 1.00 0.00 N ATOM 1507 CA ASP B 36 -5.255 -9.451 -0.276 1.00 0.00 C ATOM 1508 C ASP B 36 -6.018 -9.668 -1.582 1.00 0.00 C ATOM 1509 O ASP B 36 -5.888 -10.709 -2.204 1.00 0.00 O ATOM 1510 CB ASP B 36 -6.204 -9.558 0.929 1.00 0.00 C ATOM 1511 CG ASP B 36 -6.393 -11.030 1.304 1.00 0.00 C ATOM 1512 OD1 ASP B 36 -5.609 -11.522 2.101 1.00 0.00 O ATOM 1513 OD2 ASP B 36 -7.315 -11.641 0.788 1.00 0.00 O ATOM 0 H ASP B 36 -5.120 -7.457 0.472 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.471 -10.207 -0.235 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -5.797 -9.006 1.776 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -7.167 -9.107 0.688 1.00 0.00 H new ATOM 1518 N ASP B 37 -6.811 -8.697 -1.997 1.00 0.00 N ATOM 1519 CA ASP B 37 -7.583 -8.854 -3.256 1.00 0.00 C ATOM 1520 C ASP B 37 -7.497 -7.579 -4.118 1.00 0.00 C ATOM 1521 O ASP B 37 -8.419 -6.775 -4.120 1.00 0.00 O ATOM 1522 CB ASP B 37 -9.051 -9.143 -2.847 1.00 0.00 C ATOM 1523 CG ASP B 37 -9.121 -10.199 -1.731 1.00 0.00 C ATOM 1524 OD1 ASP B 37 -8.941 -11.368 -2.032 1.00 0.00 O ATOM 1525 OD2 ASP B 37 -9.359 -9.814 -0.597 1.00 0.00 O ATOM 0 H ASP B 37 -6.948 -7.810 -1.512 1.00 0.00 H new ATOM 0 HA ASP B 37 -7.179 -9.668 -3.858 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -9.525 -8.221 -2.509 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -9.611 -9.490 -3.715 1.00 0.00 H new ATOM 1530 N PRO B 38 -6.408 -7.443 -4.871 1.00 0.00 N ATOM 1531 CA PRO B 38 -6.262 -6.273 -5.782 1.00 0.00 C ATOM 1532 C PRO B 38 -7.282 -6.325 -6.944 1.00 0.00 C ATOM 1533 O PRO B 38 -7.382 -5.383 -7.704 1.00 0.00 O ATOM 1534 CB PRO B 38 -4.840 -6.370 -6.292 1.00 0.00 C ATOM 1535 CG PRO B 38 -4.491 -7.818 -6.158 1.00 0.00 C ATOM 1536 CD PRO B 38 -5.229 -8.322 -4.945 1.00 0.00 C ATOM 0 HA PRO B 38 -6.457 -5.329 -5.273 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -4.767 -6.038 -7.328 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -4.166 -5.744 -5.708 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -4.784 -8.372 -7.049 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -3.415 -7.949 -6.041 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -5.514 -9.368 -5.055 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -4.618 -8.251 -4.045 1.00 0.00 H new ATOM 1544 N SER B 39 -8.080 -7.387 -7.060 1.00 0.00 N ATOM 1545 CA SER B 39 -9.140 -7.425 -8.128 1.00 0.00 C ATOM 1546 C SER B 39 -10.093 -6.241 -7.871 1.00 0.00 C ATOM 1547 O SER B 39 -10.552 -5.586 -8.788 1.00 0.00 O ATOM 1548 CB SER B 39 -9.875 -8.755 -7.939 1.00 0.00 C ATOM 1549 OG SER B 39 -10.252 -9.270 -9.210 1.00 0.00 O ATOM 0 H SER B 39 -8.036 -8.214 -6.464 1.00 0.00 H new ATOM 0 HA SER B 39 -8.741 -7.349 -9.140 1.00 0.00 H new ATOM 0 HB2 SER B 39 -9.233 -9.468 -7.421 1.00 0.00 H new ATOM 0 HB3 SER B 39 -10.758 -8.610 -7.316 1.00 0.00 H new ATOM 0 HG SER B 39 -10.721 -10.122 -9.092 1.00 0.00 H new ATOM 1555 N GLN B 40 -10.331 -5.947 -6.597 1.00 0.00 N ATOM 1556 CA GLN B 40 -11.189 -4.776 -6.204 1.00 0.00 C ATOM 1557 C GLN B 40 -10.306 -3.515 -6.006 1.00 0.00 C ATOM 1558 O GLN B 40 -10.751 -2.566 -5.415 1.00 0.00 O ATOM 1559 CB GLN B 40 -11.834 -5.119 -4.835 1.00 0.00 C ATOM 1560 CG GLN B 40 -12.269 -6.588 -4.720 1.00 0.00 C ATOM 1561 CD GLN B 40 -13.192 -6.991 -5.880 1.00 0.00 C ATOM 1562 OE1 GLN B 40 -14.065 -6.244 -6.278 1.00 0.00 O ATOM 1563 NE2 GLN B 40 -13.037 -8.163 -6.435 1.00 0.00 N ATOM 0 H GLN B 40 -9.959 -6.480 -5.811 1.00 0.00 H new ATOM 0 HA GLN B 40 -11.935 -4.583 -6.975 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -11.123 -4.894 -4.040 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -12.701 -4.477 -4.678 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.388 -7.230 -4.713 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -12.784 -6.744 -3.772 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -12.306 -8.792 -6.103 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -13.647 -8.450 -7.200 1.00 0.00 H new ATOM 1572 N SER B 41 -9.055 -3.517 -6.457 1.00 0.00 N ATOM 1573 CA SER B 41 -8.137 -2.332 -6.255 1.00 0.00 C ATOM 1574 C SER B 41 -8.735 -1.039 -6.826 1.00 0.00 C ATOM 1575 O SER B 41 -8.736 -0.018 -6.158 1.00 0.00 O ATOM 1576 CB SER B 41 -6.859 -2.701 -6.985 1.00 0.00 C ATOM 1577 OG SER B 41 -5.952 -1.610 -6.976 1.00 0.00 O ATOM 0 H SER B 41 -8.632 -4.297 -6.960 1.00 0.00 H new ATOM 0 HA SER B 41 -7.971 -2.134 -5.196 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.399 -3.568 -6.511 1.00 0.00 H new ATOM 0 HB3 SER B 41 -7.088 -2.983 -8.013 1.00 0.00 H new ATOM 0 HG SER B 41 -6.105 -1.051 -7.766 1.00 0.00 H new ATOM 1583 N ALA B 42 -9.270 -1.081 -8.037 1.00 0.00 N ATOM 1584 CA ALA B 42 -9.907 0.147 -8.626 1.00 0.00 C ATOM 1585 C ALA B 42 -11.104 0.540 -7.744 1.00 0.00 C ATOM 1586 O ALA B 42 -11.278 1.696 -7.397 1.00 0.00 O ATOM 1587 CB ALA B 42 -10.368 -0.252 -10.033 1.00 0.00 C ATOM 0 H ALA B 42 -9.291 -1.908 -8.634 1.00 0.00 H new ATOM 0 HA ALA B 42 -9.228 0.998 -8.675 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -10.842 0.602 -10.516 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -9.507 -0.570 -10.621 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -11.083 -1.072 -9.963 1.00 0.00 H new ATOM 1593 N ASN B 43 -11.893 -0.445 -7.340 1.00 0.00 N ATOM 1594 CA ASN B 43 -13.052 -0.191 -6.435 1.00 0.00 C ATOM 1595 C ASN B 43 -12.562 0.269 -5.046 1.00 0.00 C ATOM 1596 O ASN B 43 -13.233 1.037 -4.398 1.00 0.00 O ATOM 1597 CB ASN B 43 -13.797 -1.533 -6.327 1.00 0.00 C ATOM 1598 CG ASN B 43 -15.109 -1.339 -5.553 1.00 0.00 C ATOM 1599 OD1 ASN B 43 -15.193 -1.676 -4.388 1.00 0.00 O ATOM 1600 ND2 ASN B 43 -16.140 -0.803 -6.151 1.00 0.00 N ATOM 0 H ASN B 43 -11.772 -1.421 -7.609 1.00 0.00 H new ATOM 0 HA ASN B 43 -13.698 0.598 -6.821 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -14.006 -1.925 -7.323 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -13.171 -2.267 -5.821 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -17.013 -0.668 -5.640 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -16.072 -0.519 -7.128 1.00 0.00 H new ATOM 1607 N LEU B 44 -11.403 -0.199 -4.593 1.00 0.00 N ATOM 1608 CA LEU B 44 -10.867 0.207 -3.245 1.00 0.00 C ATOM 1609 C LEU B 44 -10.514 1.685 -3.243 1.00 0.00 C ATOM 1610 O LEU B 44 -10.944 2.431 -2.391 1.00 0.00 O ATOM 1611 CB LEU B 44 -9.619 -0.655 -3.038 1.00 0.00 C ATOM 1612 CG LEU B 44 -9.992 -1.880 -2.211 1.00 0.00 C ATOM 1613 CD1 LEU B 44 -9.225 -3.107 -2.715 1.00 0.00 C ATOM 1614 CD2 LEU B 44 -9.646 -1.590 -0.748 1.00 0.00 C ATOM 0 H LEU B 44 -10.808 -0.848 -5.108 1.00 0.00 H new ATOM 0 HA LEU B 44 -11.595 0.060 -2.447 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.209 -0.961 -4.001 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -8.844 -0.080 -2.530 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.057 -2.091 -2.303 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -9.498 -3.977 -2.118 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.477 -3.290 -3.760 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.153 -2.928 -2.626 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -9.904 -2.453 -0.135 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.578 -1.389 -0.660 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -10.209 -0.721 -0.406 1.00 0.00 H new ATOM 1626 N LEU B 45 -9.764 2.100 -4.222 1.00 0.00 N ATOM 1627 CA LEU B 45 -9.387 3.542 -4.365 1.00 0.00 C ATOM 1628 C LEU B 45 -10.665 4.393 -4.400 1.00 0.00 C ATOM 1629 O LEU B 45 -10.771 5.394 -3.710 1.00 0.00 O ATOM 1630 CB LEU B 45 -8.630 3.621 -5.706 1.00 0.00 C ATOM 1631 CG LEU B 45 -8.423 5.080 -6.134 1.00 0.00 C ATOM 1632 CD1 LEU B 45 -7.940 5.918 -4.948 1.00 0.00 C ATOM 1633 CD2 LEU B 45 -7.385 5.129 -7.255 1.00 0.00 C ATOM 0 H LEU B 45 -9.386 1.491 -4.948 1.00 0.00 H new ATOM 0 HA LEU B 45 -8.775 3.911 -3.542 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -7.664 3.125 -5.612 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -9.189 3.088 -6.475 1.00 0.00 H new ATOM 0 HG LEU B 45 -9.370 5.489 -6.487 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -7.797 6.951 -5.266 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -8.683 5.883 -4.151 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -6.995 5.518 -4.581 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -7.232 6.163 -7.565 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -6.443 4.715 -6.897 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -7.739 4.544 -8.104 1.00 0.00 H new ATOM 1645 N ALA B 46 -11.644 3.965 -5.168 1.00 0.00 N ATOM 1646 CA ALA B 46 -12.942 4.700 -5.231 1.00 0.00 C ATOM 1647 C ALA B 46 -13.636 4.621 -3.861 1.00 0.00 C ATOM 1648 O ALA B 46 -14.135 5.606 -3.361 1.00 0.00 O ATOM 1649 CB ALA B 46 -13.758 3.957 -6.282 1.00 0.00 C ATOM 0 H ALA B 46 -11.594 3.133 -5.755 1.00 0.00 H new ATOM 0 HA ALA B 46 -12.822 5.754 -5.480 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -14.732 4.435 -6.391 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -13.232 3.983 -7.236 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -13.895 2.921 -5.971 1.00 0.00 H new ATOM 1655 N GLU B 47 -13.634 3.441 -3.252 1.00 0.00 N ATOM 1656 CA GLU B 47 -14.248 3.247 -1.899 1.00 0.00 C ATOM 1657 C GLU B 47 -13.558 4.172 -0.882 1.00 0.00 C ATOM 1658 O GLU B 47 -14.192 4.690 0.015 1.00 0.00 O ATOM 1659 CB GLU B 47 -13.992 1.769 -1.537 1.00 0.00 C ATOM 1660 CG GLU B 47 -14.957 1.328 -0.422 1.00 0.00 C ATOM 1661 CD GLU B 47 -16.399 1.224 -0.957 1.00 0.00 C ATOM 1662 OE1 GLU B 47 -16.590 0.681 -2.040 1.00 0.00 O ATOM 1663 OE2 GLU B 47 -17.292 1.677 -0.264 1.00 0.00 O ATOM 0 H GLU B 47 -13.223 2.597 -3.651 1.00 0.00 H new ATOM 0 HA GLU B 47 -15.312 3.483 -1.892 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -14.128 1.141 -2.417 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -12.960 1.639 -1.210 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -14.642 0.364 -0.022 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -14.920 2.042 0.401 1.00 0.00 H new ATOM 1670 N ALA B 48 -12.262 4.390 -1.050 1.00 0.00 N ATOM 1671 CA ALA B 48 -11.500 5.301 -0.132 1.00 0.00 C ATOM 1672 C ALA B 48 -12.018 6.734 -0.321 1.00 0.00 C ATOM 1673 O ALA B 48 -12.362 7.400 0.634 1.00 0.00 O ATOM 1674 CB ALA B 48 -10.019 5.180 -0.553 1.00 0.00 C ATOM 0 H ALA B 48 -11.702 3.969 -1.791 1.00 0.00 H new ATOM 0 HA ALA B 48 -11.619 5.042 0.920 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.407 5.822 0.080 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -9.693 4.146 -0.443 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -9.910 5.486 -1.593 1.00 0.00 H new ATOM 1680 N LYS B 49 -12.110 7.184 -1.564 1.00 0.00 N ATOM 1681 CA LYS B 49 -12.643 8.563 -1.858 1.00 0.00 C ATOM 1682 C LYS B 49 -14.112 8.674 -1.406 1.00 0.00 C ATOM 1683 O LYS B 49 -14.498 9.644 -0.794 1.00 0.00 O ATOM 1684 CB LYS B 49 -12.540 8.730 -3.385 1.00 0.00 C ATOM 1685 CG LYS B 49 -11.067 8.711 -3.820 1.00 0.00 C ATOM 1686 CD LYS B 49 -10.972 8.922 -5.336 1.00 0.00 C ATOM 1687 CE LYS B 49 -9.537 8.635 -5.805 1.00 0.00 C ATOM 1688 NZ LYS B 49 -9.317 9.505 -7.000 1.00 0.00 N ATOM 0 H LYS B 49 -11.836 6.650 -2.389 1.00 0.00 H new ATOM 0 HA LYS B 49 -12.083 9.334 -1.329 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -13.085 7.929 -3.884 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -13.005 9.668 -3.688 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -10.514 9.493 -3.299 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.609 7.760 -3.546 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -11.672 8.264 -5.850 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -11.251 9.945 -5.590 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -8.816 8.861 -5.019 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -9.412 7.582 -6.059 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -8.321 9.445 -7.295 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -9.928 9.186 -7.779 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -9.548 10.490 -6.759 1.00 0.00 H new ATOM 1702 N LYS B 50 -14.921 7.669 -1.690 1.00 0.00 N ATOM 1703 CA LYS B 50 -16.369 7.691 -1.262 1.00 0.00 C ATOM 1704 C LYS B 50 -16.474 7.727 0.275 1.00 0.00 C ATOM 1705 O LYS B 50 -17.259 8.478 0.827 1.00 0.00 O ATOM 1706 CB LYS B 50 -16.980 6.393 -1.813 1.00 0.00 C ATOM 1707 CG LYS B 50 -17.128 6.492 -3.340 1.00 0.00 C ATOM 1708 CD LYS B 50 -17.243 5.084 -3.947 1.00 0.00 C ATOM 1709 CE LYS B 50 -18.596 4.455 -3.583 1.00 0.00 C ATOM 1710 NZ LYS B 50 -18.273 3.279 -2.719 1.00 0.00 N ATOM 0 H LYS B 50 -14.640 6.832 -2.201 1.00 0.00 H new ATOM 0 HA LYS B 50 -16.889 8.573 -1.637 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -16.347 5.544 -1.554 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -17.953 6.216 -1.355 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -18.011 7.079 -3.591 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -16.269 7.011 -3.764 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -17.139 5.138 -5.031 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -16.432 4.455 -3.580 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -19.230 5.167 -3.055 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -19.138 4.147 -4.477 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -19.154 2.804 -2.435 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -17.676 2.613 -3.249 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -17.764 3.601 -1.871 1.00 0.00 H new ATOM 1724 N LEU B 51 -15.668 6.932 0.958 1.00 0.00 N ATOM 1725 CA LEU B 51 -15.680 6.913 2.463 1.00 0.00 C ATOM 1726 C LEU B 51 -15.148 8.246 3.028 1.00 0.00 C ATOM 1727 O LEU B 51 -15.641 8.724 4.035 1.00 0.00 O ATOM 1728 CB LEU B 51 -14.795 5.714 2.855 1.00 0.00 C ATOM 1729 CG LEU B 51 -14.705 5.560 4.385 1.00 0.00 C ATOM 1730 CD1 LEU B 51 -16.097 5.629 5.031 1.00 0.00 C ATOM 1731 CD2 LEU B 51 -14.073 4.201 4.705 1.00 0.00 C ATOM 0 H LEU B 51 -14.999 6.292 0.531 1.00 0.00 H new ATOM 0 HA LEU B 51 -16.684 6.806 2.874 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -15.202 4.801 2.419 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -13.795 5.847 2.441 1.00 0.00 H new ATOM 0 HG LEU B 51 -14.099 6.374 4.784 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -16.003 5.517 6.111 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -16.556 6.591 4.804 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -16.721 4.827 4.637 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -14.003 4.078 5.786 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -14.691 3.405 4.288 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -13.075 4.152 4.269 1.00 0.00 H new ATOM 1743 N ASN B 52 -14.167 8.857 2.376 1.00 0.00 N ATOM 1744 CA ASN B 52 -13.623 10.179 2.850 1.00 0.00 C ATOM 1745 C ASN B 52 -14.763 11.221 2.923 1.00 0.00 C ATOM 1746 O ASN B 52 -14.746 12.106 3.757 1.00 0.00 O ATOM 1747 CB ASN B 52 -12.510 10.545 1.814 1.00 0.00 C ATOM 1748 CG ASN B 52 -12.856 11.688 0.812 1.00 0.00 C ATOM 1749 OD1 ASN B 52 -13.974 11.897 0.414 1.00 0.00 O ATOM 1750 ND2 ASN B 52 -11.896 12.429 0.344 1.00 0.00 N ATOM 0 H ASN B 52 -13.722 8.491 1.534 1.00 0.00 H new ATOM 0 HA ASN B 52 -13.205 10.146 3.856 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -11.611 10.829 2.362 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -12.265 9.650 1.242 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -12.102 13.159 -0.338 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -10.937 12.280 0.659 1.00 0.00 H new ATOM 1757 N ASP B 53 -15.747 11.111 2.042 1.00 0.00 N ATOM 1758 CA ASP B 53 -16.884 12.078 2.019 1.00 0.00 C ATOM 1759 C ASP B 53 -17.755 11.947 3.283 1.00 0.00 C ATOM 1760 O ASP B 53 -18.302 12.926 3.762 1.00 0.00 O ATOM 1761 CB ASP B 53 -17.706 11.717 0.778 1.00 0.00 C ATOM 1762 CG ASP B 53 -18.682 12.851 0.447 1.00 0.00 C ATOM 1763 OD1 ASP B 53 -18.273 13.783 -0.227 1.00 0.00 O ATOM 1764 OD2 ASP B 53 -19.822 12.771 0.875 1.00 0.00 O ATOM 0 H ASP B 53 -15.800 10.379 1.334 1.00 0.00 H new ATOM 0 HA ASP B 53 -16.523 13.106 1.992 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -17.043 11.539 -0.068 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -18.256 10.792 0.952 1.00 0.00 H new ATOM 1769 N ALA B 54 -17.887 10.742 3.811 1.00 0.00 N ATOM 1770 CA ALA B 54 -18.725 10.525 5.041 1.00 0.00 C ATOM 1771 C ALA B 54 -18.119 11.262 6.248 1.00 0.00 C ATOM 1772 O ALA B 54 -18.836 11.780 7.086 1.00 0.00 O ATOM 1773 CB ALA B 54 -18.710 9.009 5.260 1.00 0.00 C ATOM 0 H ALA B 54 -17.448 9.900 3.439 1.00 0.00 H new ATOM 0 HA ALA B 54 -19.738 10.911 4.925 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -19.301 8.763 6.142 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -19.135 8.511 4.388 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -17.683 8.673 5.406 1.00 0.00 H new ATOM 1779 N GLN B 55 -16.806 11.320 6.322 1.00 0.00 N ATOM 1780 CA GLN B 55 -16.116 12.031 7.446 1.00 0.00 C ATOM 1781 C GLN B 55 -15.983 13.532 7.132 1.00 0.00 C ATOM 1782 O GLN B 55 -16.085 14.365 8.017 1.00 0.00 O ATOM 1783 CB GLN B 55 -14.740 11.360 7.521 1.00 0.00 C ATOM 1784 CG GLN B 55 -14.888 9.941 8.084 1.00 0.00 C ATOM 1785 CD GLN B 55 -13.560 9.210 7.924 1.00 0.00 C ATOM 1786 OE1 GLN B 55 -12.998 8.718 8.880 1.00 0.00 O ATOM 1787 NE2 GLN B 55 -13.029 9.131 6.741 1.00 0.00 N ATOM 0 H GLN B 55 -16.177 10.898 5.639 1.00 0.00 H new ATOM 0 HA GLN B 55 -16.661 11.966 8.388 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -14.288 11.323 6.530 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -14.073 11.945 8.154 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -15.174 9.980 9.135 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -15.679 9.407 7.558 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -13.505 9.546 5.940 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -12.136 8.654 6.613 1.00 0.00 H new ATOM 1796 N ALA B 56 -15.736 13.872 5.878 1.00 0.00 N ATOM 1797 CA ALA B 56 -15.570 15.307 5.474 1.00 0.00 C ATOM 1798 C ALA B 56 -16.050 15.526 4.027 1.00 0.00 C ATOM 1799 O ALA B 56 -16.015 14.611 3.238 1.00 0.00 O ATOM 1800 CB ALA B 56 -14.068 15.536 5.565 1.00 0.00 C ATOM 0 H ALA B 56 -15.642 13.204 5.113 1.00 0.00 H new ATOM 0 HA ALA B 56 -16.148 15.987 6.099 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -13.839 16.565 5.287 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -13.733 15.353 6.586 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -13.554 14.854 4.887 1.00 0.00 H new ATOM 1806 N PRO B 57 -16.464 16.742 3.712 1.00 0.00 N ATOM 1807 CA PRO B 57 -16.936 17.052 2.330 1.00 0.00 C ATOM 1808 C PRO B 57 -15.748 17.082 1.349 1.00 0.00 C ATOM 1809 O PRO B 57 -14.665 17.532 1.689 1.00 0.00 O ATOM 1810 CB PRO B 57 -17.569 18.435 2.463 1.00 0.00 C ATOM 1811 CG PRO B 57 -16.896 19.049 3.646 1.00 0.00 C ATOM 1812 CD PRO B 57 -16.530 17.926 4.583 1.00 0.00 C ATOM 0 HA PRO B 57 -17.632 16.309 1.941 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -17.411 19.031 1.564 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -18.646 18.364 2.613 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -16.007 19.600 3.340 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -17.558 19.761 4.139 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -15.576 18.112 5.076 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -17.276 17.803 5.368 1.00 0.00 H new ATOM 1820 N LYS B 58 -15.952 16.610 0.138 1.00 0.00 N ATOM 1821 CA LYS B 58 -14.844 16.608 -0.885 1.00 0.00 C ATOM 1822 C LYS B 58 -14.571 18.036 -1.392 1.00 0.00 C ATOM 1823 O LYS B 58 -13.421 18.439 -1.358 1.00 0.00 O ATOM 1824 CB LYS B 58 -15.323 15.707 -2.037 1.00 0.00 C ATOM 1825 CG LYS B 58 -15.301 14.236 -1.604 1.00 0.00 C ATOM 1826 CD LYS B 58 -15.718 13.355 -2.789 1.00 0.00 C ATOM 1827 CE LYS B 58 -15.865 11.896 -2.327 1.00 0.00 C ATOM 1828 NZ LYS B 58 -17.300 11.542 -2.551 1.00 0.00 N ATOM 1829 OXT LYS B 58 -15.514 18.703 -1.799 1.00 0.00 O ATOM 0 H LYS B 58 -16.838 16.225 -0.189 1.00 0.00 H new ATOM 0 HA LYS B 58 -13.912 16.240 -0.456 1.00 0.00 H new ATOM 0 HB2 LYS B 58 -16.332 15.991 -2.335 1.00 0.00 H new ATOM 0 HB3 LYS B 58 -14.683 15.847 -2.908 1.00 0.00 H new ATOM 0 HG2 LYS B 58 -14.303 13.960 -1.263 1.00 0.00 H new ATOM 0 HG3 LYS B 58 -15.979 14.081 -0.764 1.00 0.00 H new ATOM 0 HD2 LYS B 58 -16.661 13.711 -3.205 1.00 0.00 H new ATOM 0 HD3 LYS B 58 -14.974 13.421 -3.583 1.00 0.00 H new ATOM 0 HE2 LYS B 58 -15.207 11.238 -2.894 1.00 0.00 H new ATOM 0 HE3 LYS B 58 -15.595 11.789 -1.276 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 -17.485 10.589 -2.178 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 -17.908 12.229 -2.061 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 -17.507 11.561 -3.570 1.00 0.00 H new TER 1843 LYS B 58