USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=21 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= -3.85! C(o=-6.3!,f=-15!) USER MOD Set 1.2: B 55 GLN : amide:sc= -2.49 K(o=-6.3,f=-4) USER MOD Set 2.1: B 21 ASN : amide:sc= -1.3! C(o=-7.7!,f=-9!) USER MOD Set 2.2: B 52 ASN : amide:sc= -6.43! C(o=-7.7!,f=-15!) USER MOD Set 3.1: A 28 ASN : amide:sc= -2.86! C(o=-2.5!,f=-5.9!) USER MOD Set 3.2: B 10 SER OG : rot 178:sc= 0.383 USER MOD Set 4.1: A 32 GLN : amide:sc= -0.315 K(o=-0.16,f=-1.6) USER MOD Set 4.2: B 7 LYS NZ :NH3+ -168:sc= 0.151 (180deg=0.0854) USER MOD Set 5.1: A 23 ASN : amide:sc= 0.0418 K(o=0.057,f=-6.2!) USER MOD Set 5.2: A 26 GLN : amide:sc= 0.446 K(o=0.057,f=-11!) USER MOD Set 5.3: A 55 GLN : amide:sc= -0.432 K(o=0.057,f=-1.1) USER MOD Set 6.1: A 14 TYR OH : rot 180:sc= -0.946 USER MOD Set 6.2: A 18 HIS : no HD1:sc= -25.6! C(o=-27!,f=-24!) USER MOD Single : A 1 VAL N :NH3+ 166:sc= -0.35 (180deg=-0.78) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.946 X(o=-0.95,f=-0.92) USER MOD Single : A 7 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0143) USER MOD Single : A 9 GLN : amide:sc= -1.74! C(o=-1.7!,f=-3.5!) USER MOD Single : A 10 GLN : amide:sc= -1.52 K(o=-1.5,f=-9.9!) USER MOD Single : A 11 ASN : amide:sc= -0.832 K(o=-0.83,f=-2.8!) USER MOD Single : A 21 ASN : amide:sc= -0.265 K(o=-0.27,f=-0.92) USER MOD Single : A 33 SER OG : rot 10:sc= -0.108 USER MOD Single : A 35 LYS NZ :NH3+ 164:sc= 0.493 (180deg=0.304) USER MOD Single : A 39 SER OG : rot 59:sc= 0.0848 USER MOD Single : A 40 GLN : amide:sc= -0.59 K(o=-0.59,f=-3.6) USER MOD Single : A 41 SER OG : rot -96:sc= 0.489 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.19! C(o=-1.2!,f=-11!) USER MOD Single : A 58 LYS NZ :NH3+ 144:sc= -1.27 (180deg=-2.8!) USER MOD Single : B 1 VAL N :NH3+ 172:sc= -0.672 (180deg=-0.778) USER MOD Single : B 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 4 LYS NZ :NH3+ -150:sc= 0.0657 (180deg=0.0529) USER MOD Single : B 6 ASN : amide:sc= -3.82 K(o=-3.8,f=-11!) USER MOD Single : B 18 THR OG1 : rot -46:sc= 0.43 USER MOD Single : B 26 GLN : amide:sc= -3.4! C(o=-3.4!,f=-7.9!) USER MOD Single : B 27 LYS NZ :NH3+ -152:sc= 0.458 (180deg=0.143) USER MOD Single : B 28 LYS NZ :NH3+ -114:sc= 0.389 (180deg=-0.0623) USER MOD Single : B 33 SER OG : rot -21:sc= -1.6! USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= -0.847 K(o=-0.85,f=-0.31) USER MOD Single : B 41 SER OG : rot -150:sc= -0.87 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ -169:sc= 0.236 (180deg=0.177) USER MOD Single : B 50 LYS NZ :NH3+ -160:sc= 0.0251 (180deg=0.00101) USER MOD Single : B 58 LYS NZ :NH3+ 173:sc= -0.641 (180deg=-0.669) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -4.595 -19.006 2.237 1.00 0.00 N ATOM 2 CA VAL A 1 -4.410 -19.265 3.710 1.00 0.00 C ATOM 3 C VAL A 1 -3.522 -18.177 4.339 1.00 0.00 C ATOM 4 O VAL A 1 -2.409 -17.939 3.895 1.00 0.00 O ATOM 5 CB VAL A 1 -3.759 -20.668 3.868 1.00 0.00 C ATOM 6 CG1 VAL A 1 -4.808 -21.759 3.627 1.00 0.00 C ATOM 7 CG2 VAL A 1 -2.591 -20.867 2.883 1.00 0.00 C ATOM 0 H1 VAL A 1 -4.987 -19.855 1.782 1.00 0.00 H new ATOM 0 H2 VAL A 1 -5.249 -18.208 2.104 1.00 0.00 H new ATOM 0 H3 VAL A 1 -3.677 -18.776 1.807 1.00 0.00 H new ATOM 0 HA VAL A 1 -5.371 -19.239 4.224 1.00 0.00 H new ATOM 0 HB VAL A 1 -3.369 -20.737 4.883 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -4.345 -22.740 3.739 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -5.616 -21.654 4.351 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -5.210 -21.661 2.619 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -2.162 -21.859 3.024 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -2.957 -20.772 1.861 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -1.827 -20.112 3.067 1.00 0.00 H new ATOM 19 N ASP A 2 -4.013 -17.517 5.369 1.00 0.00 N ATOM 20 CA ASP A 2 -3.216 -16.439 6.042 1.00 0.00 C ATOM 21 C ASP A 2 -2.377 -17.039 7.183 1.00 0.00 C ATOM 22 O ASP A 2 -2.877 -17.291 8.268 1.00 0.00 O ATOM 23 CB ASP A 2 -4.250 -15.433 6.583 1.00 0.00 C ATOM 24 CG ASP A 2 -4.708 -14.481 5.465 1.00 0.00 C ATOM 25 OD1 ASP A 2 -5.330 -14.950 4.523 1.00 0.00 O ATOM 26 OD2 ASP A 2 -4.432 -13.298 5.576 1.00 0.00 O ATOM 0 H ASP A 2 -4.936 -17.682 5.772 1.00 0.00 H new ATOM 0 HA ASP A 2 -2.519 -15.955 5.358 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -5.109 -15.967 6.989 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -3.815 -14.860 7.402 1.00 0.00 H new ATOM 31 N ASN A 3 -1.104 -17.269 6.936 1.00 0.00 N ATOM 32 CA ASN A 3 -0.206 -17.851 7.993 1.00 0.00 C ATOM 33 C ASN A 3 0.609 -16.732 8.663 1.00 0.00 C ATOM 34 O ASN A 3 0.408 -16.432 9.827 1.00 0.00 O ATOM 35 CB ASN A 3 0.706 -18.850 7.258 1.00 0.00 C ATOM 36 CG ASN A 3 -0.113 -20.071 6.816 1.00 0.00 C ATOM 37 OD1 ASN A 3 -0.388 -20.949 7.608 1.00 0.00 O ATOM 38 ND2 ASN A 3 -0.524 -20.160 5.579 1.00 0.00 N ATOM 0 H ASN A 3 -0.647 -17.078 6.044 1.00 0.00 H new ATOM 0 HA ASN A 3 -0.766 -18.347 8.786 1.00 0.00 H new ATOM 0 HB2 ASN A 3 1.161 -18.372 6.390 1.00 0.00 H new ATOM 0 HB3 ASN A 3 1.520 -19.163 7.912 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -1.074 -20.966 5.281 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -0.295 -19.424 4.911 1.00 0.00 H new ATOM 45 N LYS A 4 1.515 -16.109 7.931 1.00 0.00 N ATOM 46 CA LYS A 4 2.346 -14.992 8.504 1.00 0.00 C ATOM 47 C LYS A 4 2.695 -13.952 7.421 1.00 0.00 C ATOM 48 O LYS A 4 2.566 -12.761 7.651 1.00 0.00 O ATOM 49 CB LYS A 4 3.616 -15.647 9.100 1.00 0.00 C ATOM 50 CG LYS A 4 4.420 -16.411 8.033 1.00 0.00 C ATOM 51 CD LYS A 4 5.596 -17.136 8.694 1.00 0.00 C ATOM 52 CE LYS A 4 6.470 -17.792 7.614 1.00 0.00 C ATOM 53 NZ LYS A 4 6.034 -19.220 7.553 1.00 0.00 N ATOM 0 H LYS A 4 1.714 -16.330 6.955 1.00 0.00 H new ATOM 0 HA LYS A 4 1.799 -14.450 9.276 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.245 -14.878 9.548 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.331 -16.331 9.899 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.777 -17.129 7.524 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.787 -15.719 7.275 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.189 -16.432 9.278 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.227 -17.893 9.387 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.336 -17.300 6.650 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.528 -17.716 7.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.592 -19.723 6.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.180 -19.667 8.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.026 -19.265 7.302 1.00 0.00 H new ATOM 67 N PHE A 5 3.135 -14.390 6.249 1.00 0.00 N ATOM 68 CA PHE A 5 3.497 -13.434 5.154 1.00 0.00 C ATOM 69 C PHE A 5 2.278 -12.640 4.659 1.00 0.00 C ATOM 70 O PHE A 5 2.440 -11.550 4.167 1.00 0.00 O ATOM 71 CB PHE A 5 4.090 -14.282 4.009 1.00 0.00 C ATOM 72 CG PHE A 5 5.437 -14.888 4.403 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.223 -14.319 5.424 1.00 0.00 C ATOM 74 CD2 PHE A 5 5.897 -16.025 3.730 1.00 0.00 C ATOM 75 CE1 PHE A 5 7.453 -14.890 5.762 1.00 0.00 C ATOM 76 CE2 PHE A 5 7.131 -16.595 4.072 1.00 0.00 C ATOM 77 CZ PHE A 5 7.906 -16.028 5.089 1.00 0.00 C ATOM 0 H PHE A 5 3.256 -15.375 6.012 1.00 0.00 H new ATOM 0 HA PHE A 5 4.212 -12.697 5.520 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.394 -15.079 3.746 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.214 -13.662 3.121 1.00 0.00 H new ATOM 0 HD1 PHE A 5 5.875 -13.440 5.946 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.300 -16.465 2.945 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.054 -14.451 6.544 1.00 0.00 H new ATOM 0 HE2 PHE A 5 7.484 -17.472 3.550 1.00 0.00 H new ATOM 0 HZ PHE A 5 8.855 -16.470 5.354 1.00 0.00 H new ATOM 87 N ASN A 6 1.067 -13.170 4.784 1.00 0.00 N ATOM 88 CA ASN A 6 -0.149 -12.413 4.307 1.00 0.00 C ATOM 89 C ASN A 6 -0.189 -11.009 4.944 1.00 0.00 C ATOM 90 O ASN A 6 -0.021 -10.022 4.251 1.00 0.00 O ATOM 91 CB ASN A 6 -1.366 -13.248 4.740 1.00 0.00 C ATOM 92 CG ASN A 6 -1.746 -14.229 3.626 1.00 0.00 C ATOM 93 OD1 ASN A 6 -2.751 -14.057 2.967 1.00 0.00 O ATOM 94 ND2 ASN A 6 -0.978 -15.258 3.379 1.00 0.00 N ATOM 0 H ASN A 6 0.874 -14.085 5.192 1.00 0.00 H new ATOM 0 HA ASN A 6 -0.136 -12.270 3.227 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -1.137 -13.794 5.655 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -2.208 -12.592 4.962 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -1.224 -15.912 2.636 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -0.132 -15.407 3.930 1.00 0.00 H new ATOM 101 N LYS A 7 -0.369 -10.919 6.255 1.00 0.00 N ATOM 102 CA LYS A 7 -0.379 -9.576 6.946 1.00 0.00 C ATOM 103 C LYS A 7 0.998 -8.898 6.869 1.00 0.00 C ATOM 104 O LYS A 7 1.074 -7.696 6.817 1.00 0.00 O ATOM 105 CB LYS A 7 -0.801 -9.841 8.389 1.00 0.00 C ATOM 106 CG LYS A 7 -0.819 -8.550 9.202 1.00 0.00 C ATOM 107 CD LYS A 7 -2.033 -7.741 8.782 1.00 0.00 C ATOM 108 CE LYS A 7 -3.318 -8.342 9.379 1.00 0.00 C ATOM 109 NZ LYS A 7 -4.325 -8.322 8.272 1.00 0.00 N ATOM 0 H LYS A 7 -0.509 -11.718 6.873 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.072 -8.888 6.462 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.791 -10.297 8.404 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.115 -10.553 8.847 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.861 -8.773 10.268 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.095 -7.981 9.031 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.921 -6.708 9.112 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.105 -7.722 7.695 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.147 -9.358 9.735 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.663 -7.759 10.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.208 -8.765 8.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.514 -7.338 7.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.954 -8.849 7.456 1.00 0.00 H new ATOM 123 N GLU A 8 2.068 -9.667 6.829 1.00 0.00 N ATOM 124 CA GLU A 8 3.453 -9.077 6.710 1.00 0.00 C ATOM 125 C GLU A 8 3.555 -8.316 5.393 1.00 0.00 C ATOM 126 O GLU A 8 4.070 -7.216 5.347 1.00 0.00 O ATOM 127 CB GLU A 8 4.424 -10.265 6.677 1.00 0.00 C ATOM 128 CG GLU A 8 4.981 -10.536 8.070 1.00 0.00 C ATOM 129 CD GLU A 8 5.851 -11.802 8.039 1.00 0.00 C ATOM 130 OE1 GLU A 8 6.958 -11.726 7.528 1.00 0.00 O ATOM 131 OE2 GLU A 8 5.398 -12.823 8.525 1.00 0.00 O ATOM 0 H GLU A 8 2.043 -10.686 6.874 1.00 0.00 H new ATOM 0 HA GLU A 8 3.675 -8.398 7.533 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.911 -11.152 6.305 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.241 -10.056 5.986 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.572 -9.685 8.409 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.165 -10.661 8.781 1.00 0.00 H new ATOM 138 N GLN A 9 3.043 -8.905 4.332 1.00 0.00 N ATOM 139 CA GLN A 9 3.063 -8.245 3.010 1.00 0.00 C ATOM 140 C GLN A 9 2.161 -7.013 3.047 1.00 0.00 C ATOM 141 O GLN A 9 2.587 -5.978 2.647 1.00 0.00 O ATOM 142 CB GLN A 9 2.554 -9.256 1.994 1.00 0.00 C ATOM 143 CG GLN A 9 3.580 -10.360 1.737 1.00 0.00 C ATOM 144 CD GLN A 9 2.931 -11.439 0.864 1.00 0.00 C ATOM 145 OE1 GLN A 9 2.348 -12.375 1.374 1.00 0.00 O ATOM 146 NE2 GLN A 9 2.996 -11.345 -0.436 1.00 0.00 N ATOM 0 H GLN A 9 2.609 -9.828 4.341 1.00 0.00 H new ATOM 0 HA GLN A 9 4.068 -7.919 2.741 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.625 -9.698 2.354 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.323 -8.748 1.058 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.460 -9.950 1.240 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.918 -10.789 2.680 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.485 -10.560 -0.867 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.558 -12.056 -1.021 1.00 0.00 H new ATOM 155 N GLN A 10 0.939 -7.103 3.574 1.00 0.00 N ATOM 156 CA GLN A 10 0.079 -5.848 3.672 1.00 0.00 C ATOM 157 C GLN A 10 0.713 -4.870 4.659 1.00 0.00 C ATOM 158 O GLN A 10 0.642 -3.682 4.455 1.00 0.00 O ATOM 159 CB GLN A 10 -1.382 -6.149 4.078 1.00 0.00 C ATOM 160 CG GLN A 10 -1.608 -7.471 4.829 1.00 0.00 C ATOM 161 CD GLN A 10 -2.537 -8.410 4.035 1.00 0.00 C ATOM 162 OE1 GLN A 10 -2.860 -8.159 2.896 1.00 0.00 O ATOM 163 NE2 GLN A 10 -2.997 -9.489 4.612 1.00 0.00 N ATOM 0 H GLN A 10 0.512 -7.959 3.929 1.00 0.00 H new ATOM 0 HA GLN A 10 0.039 -5.403 2.678 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -1.741 -5.332 4.703 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.996 -6.155 3.177 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -0.651 -7.963 5.002 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.043 -7.267 5.808 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.730 -9.708 5.572 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.623 -10.112 4.103 1.00 0.00 H new ATOM 172 N ASN A 11 1.371 -5.351 5.701 1.00 0.00 N ATOM 173 CA ASN A 11 2.060 -4.418 6.658 1.00 0.00 C ATOM 174 C ASN A 11 3.175 -3.697 5.889 1.00 0.00 C ATOM 175 O ASN A 11 3.296 -2.489 5.939 1.00 0.00 O ATOM 176 CB ASN A 11 2.672 -5.292 7.770 1.00 0.00 C ATOM 177 CG ASN A 11 1.793 -5.264 9.025 1.00 0.00 C ATOM 178 OD1 ASN A 11 0.668 -5.714 9.008 1.00 0.00 O ATOM 179 ND2 ASN A 11 2.271 -4.759 10.128 1.00 0.00 N ATOM 0 H ASN A 11 1.458 -6.342 5.925 1.00 0.00 H new ATOM 0 HA ASN A 11 1.378 -3.682 7.084 1.00 0.00 H new ATOM 0 HB2 ASN A 11 2.778 -6.318 7.417 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.672 -4.933 8.012 1.00 0.00 H new ATOM 0 HD21 ASN A 11 1.698 -4.744 10.972 1.00 0.00 H new ATOM 0 HD22 ASN A 11 3.217 -4.379 10.147 1.00 0.00 H new ATOM 186 N ALA A 12 3.957 -4.461 5.144 1.00 0.00 N ATOM 187 CA ALA A 12 5.054 -3.879 4.309 1.00 0.00 C ATOM 188 C ALA A 12 4.447 -3.077 3.152 1.00 0.00 C ATOM 189 O ALA A 12 4.870 -1.979 2.879 1.00 0.00 O ATOM 190 CB ALA A 12 5.832 -5.083 3.771 1.00 0.00 C ATOM 0 H ALA A 12 3.874 -5.476 5.084 1.00 0.00 H new ATOM 0 HA ALA A 12 5.696 -3.205 4.876 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.655 -4.735 3.147 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.228 -5.662 4.605 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.167 -5.710 3.177 1.00 0.00 H new ATOM 196 N PHE A 13 3.437 -3.630 2.500 1.00 0.00 N ATOM 197 CA PHE A 13 2.729 -2.940 1.370 1.00 0.00 C ATOM 198 C PHE A 13 2.232 -1.589 1.870 1.00 0.00 C ATOM 199 O PHE A 13 2.586 -0.556 1.337 1.00 0.00 O ATOM 200 CB PHE A 13 1.524 -3.868 1.024 1.00 0.00 C ATOM 201 CG PHE A 13 0.569 -3.192 0.075 1.00 0.00 C ATOM 202 CD1 PHE A 13 1.047 -2.581 -1.082 1.00 0.00 C ATOM 203 CD2 PHE A 13 -0.808 -3.224 0.331 1.00 0.00 C ATOM 204 CE1 PHE A 13 0.158 -2.007 -1.979 1.00 0.00 C ATOM 205 CE2 PHE A 13 -1.693 -2.639 -0.564 1.00 0.00 C ATOM 206 CZ PHE A 13 -1.214 -2.035 -1.717 1.00 0.00 C ATOM 0 H PHE A 13 3.069 -4.557 2.715 1.00 0.00 H new ATOM 0 HA PHE A 13 3.364 -2.770 0.500 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.890 -4.793 0.578 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.998 -4.142 1.939 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.108 -2.554 -1.280 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.181 -3.704 1.224 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.526 -1.539 -2.880 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.754 -2.654 -0.363 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.904 -1.585 -2.415 1.00 0.00 H new ATOM 216 N TYR A 14 1.441 -1.618 2.919 1.00 0.00 N ATOM 217 CA TYR A 14 0.901 -0.376 3.527 1.00 0.00 C ATOM 218 C TYR A 14 2.041 0.590 3.876 1.00 0.00 C ATOM 219 O TYR A 14 2.024 1.719 3.462 1.00 0.00 O ATOM 220 CB TYR A 14 0.214 -0.839 4.795 1.00 0.00 C ATOM 221 CG TYR A 14 -0.452 0.332 5.451 1.00 0.00 C ATOM 222 CD1 TYR A 14 -1.745 0.697 5.074 1.00 0.00 C ATOM 223 CD2 TYR A 14 0.219 1.043 6.452 1.00 0.00 C ATOM 224 CE1 TYR A 14 -2.363 1.755 5.692 1.00 0.00 C ATOM 225 CE2 TYR A 14 -0.409 2.118 7.080 1.00 0.00 C ATOM 226 CZ TYR A 14 -1.702 2.478 6.706 1.00 0.00 C ATOM 227 OH TYR A 14 -2.324 3.548 7.326 1.00 0.00 O ATOM 0 H TYR A 14 1.145 -2.476 3.384 1.00 0.00 H new ATOM 0 HA TYR A 14 0.228 0.152 2.852 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.522 -1.609 4.564 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.940 -1.287 5.474 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.258 0.148 4.298 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.221 0.760 6.738 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.364 2.036 5.399 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.105 2.669 7.853 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.724 3.929 8.000 1.00 0.00 H new ATOM 237 N GLU A 15 3.042 0.143 4.619 1.00 0.00 N ATOM 238 CA GLU A 15 4.180 1.060 4.969 1.00 0.00 C ATOM 239 C GLU A 15 4.859 1.562 3.692 1.00 0.00 C ATOM 240 O GLU A 15 5.134 2.733 3.583 1.00 0.00 O ATOM 241 CB GLU A 15 5.143 0.254 5.845 1.00 0.00 C ATOM 242 CG GLU A 15 4.534 0.024 7.242 1.00 0.00 C ATOM 243 CD GLU A 15 4.249 1.367 7.933 1.00 0.00 C ATOM 244 OE1 GLU A 15 5.188 2.120 8.152 1.00 0.00 O ATOM 245 OE2 GLU A 15 3.093 1.613 8.245 1.00 0.00 O ATOM 0 H GLU A 15 3.115 -0.804 4.991 1.00 0.00 H new ATOM 0 HA GLU A 15 3.836 1.942 5.509 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.358 -0.705 5.373 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.091 0.784 5.937 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.611 -0.549 7.153 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.218 -0.567 7.851 1.00 0.00 H new ATOM 252 N ILE A 16 5.069 0.704 2.700 1.00 0.00 N ATOM 253 CA ILE A 16 5.665 1.177 1.394 1.00 0.00 C ATOM 254 C ILE A 16 4.788 2.320 0.840 1.00 0.00 C ATOM 255 O ILE A 16 5.285 3.372 0.477 1.00 0.00 O ATOM 256 CB ILE A 16 5.671 -0.075 0.476 1.00 0.00 C ATOM 257 CG1 ILE A 16 7.005 -0.803 0.684 1.00 0.00 C ATOM 258 CG2 ILE A 16 5.503 0.297 -1.002 1.00 0.00 C ATOM 259 CD1 ILE A 16 6.792 -2.311 0.649 1.00 0.00 C ATOM 0 H ILE A 16 4.855 -0.292 2.741 1.00 0.00 H new ATOM 0 HA ILE A 16 6.675 1.576 1.485 1.00 0.00 H new ATOM 0 HB ILE A 16 4.829 -0.715 0.740 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.712 -0.510 -0.092 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.441 -0.512 1.640 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.513 -0.609 -1.609 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.555 0.817 -1.141 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.322 0.948 -1.309 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.746 -2.817 0.798 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.101 -2.599 1.441 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.376 -2.597 -0.317 1.00 0.00 H new ATOM 271 N LEU A 17 3.484 2.116 0.821 1.00 0.00 N ATOM 272 CA LEU A 17 2.532 3.187 0.344 1.00 0.00 C ATOM 273 C LEU A 17 2.511 4.395 1.313 1.00 0.00 C ATOM 274 O LEU A 17 2.398 5.523 0.891 1.00 0.00 O ATOM 275 CB LEU A 17 1.128 2.555 0.349 1.00 0.00 C ATOM 276 CG LEU A 17 1.013 1.412 -0.662 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.270 0.253 -0.052 1.00 0.00 C ATOM 278 CD2 LEU A 17 0.182 1.832 -1.840 1.00 0.00 C ATOM 0 H LEU A 17 3.035 1.249 1.117 1.00 0.00 H new ATOM 0 HA LEU A 17 2.839 3.541 -0.640 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.902 2.181 1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.385 3.319 0.119 1.00 0.00 H new ATOM 0 HG LEU A 17 2.028 1.144 -0.956 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.194 -0.554 -0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.807 -0.101 0.828 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.730 0.574 0.239 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.111 1.006 -2.548 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.817 2.106 -1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.648 2.689 -2.327 1.00 0.00 H new ATOM 290 N HIS A 18 2.577 4.147 2.610 1.00 0.00 N ATOM 291 CA HIS A 18 2.511 5.257 3.631 1.00 0.00 C ATOM 292 C HIS A 18 3.893 5.863 3.978 1.00 0.00 C ATOM 293 O HIS A 18 3.962 6.763 4.799 1.00 0.00 O ATOM 294 CB HIS A 18 1.874 4.610 4.884 1.00 0.00 C ATOM 295 CG HIS A 18 0.394 4.378 4.657 1.00 0.00 C ATOM 296 ND1 HIS A 18 -0.576 5.284 5.065 1.00 0.00 N ATOM 297 CD2 HIS A 18 -0.303 3.366 4.040 1.00 0.00 C ATOM 298 CE1 HIS A 18 -1.768 4.789 4.675 1.00 0.00 C ATOM 299 NE2 HIS A 18 -1.643 3.652 4.042 1.00 0.00 N ATOM 0 H HIS A 18 2.675 3.213 3.008 1.00 0.00 H new ATOM 0 HA HIS A 18 1.934 6.094 3.238 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.368 3.664 5.105 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.020 5.256 5.750 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.140 2.477 3.616 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.714 5.274 4.863 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.391 3.092 3.633 1.00 0.00 H new ATOM 307 N LEU A 19 4.985 5.406 3.374 1.00 0.00 N ATOM 308 CA LEU A 19 6.332 6.003 3.703 1.00 0.00 C ATOM 309 C LEU A 19 6.391 7.453 3.164 1.00 0.00 C ATOM 310 O LEU A 19 6.101 7.682 2.001 1.00 0.00 O ATOM 311 CB LEU A 19 7.394 5.108 3.030 1.00 0.00 C ATOM 312 CG LEU A 19 7.845 3.995 4.001 1.00 0.00 C ATOM 313 CD1 LEU A 19 8.736 2.985 3.267 1.00 0.00 C ATOM 314 CD2 LEU A 19 8.630 4.598 5.174 1.00 0.00 C ATOM 0 H LEU A 19 4.998 4.658 2.680 1.00 0.00 H new ATOM 0 HA LEU A 19 6.510 6.045 4.778 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.985 4.665 2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.252 5.710 2.732 1.00 0.00 H new ATOM 0 HG LEU A 19 6.957 3.490 4.382 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.049 2.204 3.960 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.178 2.538 2.445 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.616 3.494 2.874 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.942 3.802 5.851 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.510 5.117 4.794 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.996 5.304 5.711 1.00 0.00 H new ATOM 326 N PRO A 20 6.726 8.390 4.044 1.00 0.00 N ATOM 327 CA PRO A 20 6.772 9.842 3.669 1.00 0.00 C ATOM 328 C PRO A 20 7.829 10.196 2.597 1.00 0.00 C ATOM 329 O PRO A 20 7.701 11.226 1.956 1.00 0.00 O ATOM 330 CB PRO A 20 7.083 10.543 4.996 1.00 0.00 C ATOM 331 CG PRO A 20 7.750 9.502 5.827 1.00 0.00 C ATOM 332 CD PRO A 20 7.097 8.199 5.460 1.00 0.00 C ATOM 0 HA PRO A 20 5.835 10.150 3.206 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.732 11.405 4.845 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.174 10.908 5.473 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.821 9.471 5.628 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.629 9.714 6.889 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.779 7.358 5.587 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.224 7.998 6.081 1.00 0.00 H new ATOM 340 N ASN A 21 8.854 9.385 2.385 1.00 0.00 N ATOM 341 CA ASN A 21 9.877 9.735 1.342 1.00 0.00 C ATOM 342 C ASN A 21 9.877 8.720 0.183 1.00 0.00 C ATOM 343 O ASN A 21 10.724 8.795 -0.694 1.00 0.00 O ATOM 344 CB ASN A 21 11.220 9.758 2.082 1.00 0.00 C ATOM 345 CG ASN A 21 11.242 10.930 3.073 1.00 0.00 C ATOM 346 OD1 ASN A 21 11.413 12.067 2.682 1.00 0.00 O ATOM 347 ND2 ASN A 21 11.067 10.703 4.347 1.00 0.00 N ATOM 0 H ASN A 21 9.020 8.511 2.883 1.00 0.00 H new ATOM 0 HA ASN A 21 9.663 10.697 0.876 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.371 8.818 2.612 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.038 9.856 1.369 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.074 11.479 5.009 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.923 9.750 4.680 1.00 0.00 H new ATOM 354 N LEU A 22 8.914 7.805 0.133 1.00 0.00 N ATOM 355 CA LEU A 22 8.857 6.842 -1.010 1.00 0.00 C ATOM 356 C LEU A 22 8.045 7.465 -2.142 1.00 0.00 C ATOM 357 O LEU A 22 7.016 8.084 -1.917 1.00 0.00 O ATOM 358 CB LEU A 22 8.176 5.549 -0.506 1.00 0.00 C ATOM 359 CG LEU A 22 9.175 4.599 0.198 1.00 0.00 C ATOM 360 CD1 LEU A 22 8.708 3.154 0.024 1.00 0.00 C ATOM 361 CD2 LEU A 22 10.571 4.710 -0.409 1.00 0.00 C ATOM 0 H LEU A 22 8.179 7.694 0.832 1.00 0.00 H new ATOM 0 HA LEU A 22 9.855 6.612 -1.382 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.375 5.808 0.186 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.716 5.031 -1.347 1.00 0.00 H new ATOM 0 HG LEU A 22 9.214 4.881 1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.410 2.483 0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.719 3.035 0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.662 2.912 -1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.248 4.030 0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.530 4.447 -1.466 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.933 5.733 -0.303 1.00 0.00 H new ATOM 373 N ASN A 23 8.503 7.289 -3.352 1.00 0.00 N ATOM 374 CA ASN A 23 7.770 7.855 -4.536 1.00 0.00 C ATOM 375 C ASN A 23 7.024 6.743 -5.268 1.00 0.00 C ATOM 376 O ASN A 23 7.016 5.607 -4.835 1.00 0.00 O ATOM 377 CB ASN A 23 8.815 8.529 -5.457 1.00 0.00 C ATOM 378 CG ASN A 23 10.037 7.629 -5.684 1.00 0.00 C ATOM 379 OD1 ASN A 23 9.985 6.712 -6.472 1.00 0.00 O ATOM 380 ND2 ASN A 23 11.140 7.855 -5.018 1.00 0.00 N ATOM 0 H ASN A 23 9.355 6.777 -3.579 1.00 0.00 H new ATOM 0 HA ASN A 23 7.030 8.590 -4.221 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.355 8.767 -6.416 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.135 9.472 -5.015 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.955 7.259 -5.163 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.185 8.628 -4.354 1.00 0.00 H new ATOM 387 N GLU A 24 6.392 7.066 -6.367 1.00 0.00 N ATOM 388 CA GLU A 24 5.625 6.025 -7.130 1.00 0.00 C ATOM 389 C GLU A 24 6.566 4.921 -7.648 1.00 0.00 C ATOM 390 O GLU A 24 6.200 3.767 -7.654 1.00 0.00 O ATOM 391 CB GLU A 24 4.952 6.769 -8.295 1.00 0.00 C ATOM 392 CG GLU A 24 4.025 5.814 -9.061 1.00 0.00 C ATOM 393 CD GLU A 24 3.435 6.520 -10.286 1.00 0.00 C ATOM 394 OE1 GLU A 24 4.172 6.747 -11.232 1.00 0.00 O ATOM 395 OE2 GLU A 24 2.250 6.812 -10.260 1.00 0.00 O ATOM 0 H GLU A 24 6.371 8.002 -6.772 1.00 0.00 H new ATOM 0 HA GLU A 24 4.888 5.529 -6.499 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.381 7.616 -7.915 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.710 7.171 -8.967 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.580 4.930 -9.374 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.222 5.472 -8.407 1.00 0.00 H new ATOM 402 N GLU A 25 7.771 5.264 -8.067 1.00 0.00 N ATOM 403 CA GLU A 25 8.729 4.215 -8.572 1.00 0.00 C ATOM 404 C GLU A 25 9.168 3.289 -7.420 1.00 0.00 C ATOM 405 O GLU A 25 9.122 2.084 -7.549 1.00 0.00 O ATOM 406 CB GLU A 25 9.932 4.991 -9.134 1.00 0.00 C ATOM 407 CG GLU A 25 10.939 4.016 -9.761 1.00 0.00 C ATOM 408 CD GLU A 25 12.234 4.762 -10.108 1.00 0.00 C ATOM 409 OE1 GLU A 25 12.953 5.125 -9.188 1.00 0.00 O ATOM 410 OE2 GLU A 25 12.483 4.958 -11.286 1.00 0.00 O ATOM 0 H GLU A 25 8.130 6.219 -8.081 1.00 0.00 H new ATOM 0 HA GLU A 25 8.272 3.580 -9.331 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.595 5.709 -9.881 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.412 5.561 -8.338 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.151 3.202 -9.068 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.515 3.567 -10.659 1.00 0.00 H new ATOM 417 N GLN A 26 9.580 3.854 -6.298 1.00 0.00 N ATOM 418 CA GLN A 26 10.021 3.015 -5.122 1.00 0.00 C ATOM 419 C GLN A 26 8.828 2.288 -4.492 1.00 0.00 C ATOM 420 O GLN A 26 8.885 1.096 -4.261 1.00 0.00 O ATOM 421 CB GLN A 26 10.651 4.004 -4.124 1.00 0.00 C ATOM 422 CG GLN A 26 12.183 3.950 -4.237 1.00 0.00 C ATOM 423 CD GLN A 26 12.636 4.375 -5.641 1.00 0.00 C ATOM 424 OE1 GLN A 26 12.563 5.532 -5.995 1.00 0.00 O ATOM 425 NE2 GLN A 26 13.107 3.475 -6.463 1.00 0.00 N ATOM 0 H GLN A 26 9.630 4.861 -6.146 1.00 0.00 H new ATOM 0 HA GLN A 26 10.728 2.242 -5.422 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.297 5.015 -4.327 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.343 3.756 -3.108 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.632 4.605 -3.490 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.533 2.940 -4.026 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.171 2.500 -6.170 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.411 3.747 -7.398 1.00 0.00 H new ATOM 434 N ARG A 27 7.757 3.002 -4.219 1.00 0.00 N ATOM 435 CA ARG A 27 6.541 2.376 -3.594 1.00 0.00 C ATOM 436 C ARG A 27 5.952 1.253 -4.491 1.00 0.00 C ATOM 437 O ARG A 27 5.645 0.177 -4.017 1.00 0.00 O ATOM 438 CB ARG A 27 5.532 3.533 -3.497 1.00 0.00 C ATOM 439 CG ARG A 27 4.300 3.141 -2.674 1.00 0.00 C ATOM 440 CD ARG A 27 3.008 3.289 -3.504 1.00 0.00 C ATOM 441 NE ARG A 27 3.102 4.621 -4.196 1.00 0.00 N ATOM 442 CZ ARG A 27 2.851 4.723 -5.482 1.00 0.00 C ATOM 443 NH1 ARG A 27 3.343 3.844 -6.317 1.00 0.00 N ATOM 444 NH2 ARG A 27 2.123 5.716 -5.934 1.00 0.00 N ATOM 0 H ARG A 27 7.672 4.001 -4.404 1.00 0.00 H new ATOM 0 HA ARG A 27 6.775 1.916 -2.634 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.013 4.399 -3.042 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.221 3.830 -4.499 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.400 2.111 -2.332 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.238 3.768 -1.784 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.916 2.480 -4.229 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.127 3.245 -2.864 1.00 0.00 H new ATOM 0 HE ARG A 27 3.362 5.451 -3.663 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.922 3.079 -5.970 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.148 3.924 -7.315 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.750 6.411 -5.287 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.929 5.793 -6.932 1.00 0.00 H new ATOM 458 N ASN A 28 5.791 1.517 -5.781 1.00 0.00 N ATOM 459 CA ASN A 28 5.211 0.495 -6.734 1.00 0.00 C ATOM 460 C ASN A 28 6.170 -0.684 -6.926 1.00 0.00 C ATOM 461 O ASN A 28 5.747 -1.823 -6.908 1.00 0.00 O ATOM 462 CB ASN A 28 5.011 1.251 -8.049 1.00 0.00 C ATOM 463 CG ASN A 28 4.221 0.428 -9.083 1.00 0.00 C ATOM 464 OD1 ASN A 28 3.946 -0.742 -8.896 1.00 0.00 O ATOM 465 ND2 ASN A 28 3.839 1.016 -10.182 1.00 0.00 N ATOM 0 H ASN A 28 6.040 2.406 -6.216 1.00 0.00 H new ATOM 0 HA ASN A 28 4.280 0.071 -6.358 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.484 2.185 -7.852 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.983 1.515 -8.465 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.311 0.495 -10.882 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.068 1.997 -10.342 1.00 0.00 H new ATOM 472 N ALA A 29 7.455 -0.414 -7.085 1.00 0.00 N ATOM 473 CA ALA A 29 8.461 -1.522 -7.247 1.00 0.00 C ATOM 474 C ALA A 29 8.381 -2.458 -6.049 1.00 0.00 C ATOM 475 O ALA A 29 8.464 -3.664 -6.187 1.00 0.00 O ATOM 476 CB ALA A 29 9.814 -0.845 -7.243 1.00 0.00 C ATOM 0 H ALA A 29 7.847 0.527 -7.109 1.00 0.00 H new ATOM 0 HA ALA A 29 8.285 -2.098 -8.156 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.597 -1.595 -7.358 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.868 -0.135 -8.068 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.954 -0.316 -6.300 1.00 0.00 H new ATOM 482 N PHE A 30 8.197 -1.890 -4.877 1.00 0.00 N ATOM 483 CA PHE A 30 8.069 -2.707 -3.644 1.00 0.00 C ATOM 484 C PHE A 30 6.841 -3.564 -3.721 1.00 0.00 C ATOM 485 O PHE A 30 6.893 -4.725 -3.423 1.00 0.00 O ATOM 486 CB PHE A 30 7.948 -1.709 -2.505 1.00 0.00 C ATOM 487 CG PHE A 30 9.326 -1.239 -2.124 1.00 0.00 C ATOM 488 CD1 PHE A 30 10.417 -2.113 -2.231 1.00 0.00 C ATOM 489 CD2 PHE A 30 9.512 0.049 -1.640 1.00 0.00 C ATOM 490 CE1 PHE A 30 11.671 -1.703 -1.863 1.00 0.00 C ATOM 491 CE2 PHE A 30 10.781 0.458 -1.260 1.00 0.00 C ATOM 492 CZ PHE A 30 11.861 -0.429 -1.372 1.00 0.00 C ATOM 0 H PHE A 30 8.131 -0.883 -4.730 1.00 0.00 H new ATOM 0 HA PHE A 30 8.920 -3.373 -3.506 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.331 -0.863 -2.808 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.457 -2.171 -1.649 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.268 -3.115 -2.606 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.675 0.727 -1.560 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.510 -2.377 -1.957 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.937 1.456 -0.879 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.849 -0.112 -1.071 1.00 0.00 H new ATOM 502 N ILE A 31 5.758 -3.004 -4.164 1.00 0.00 N ATOM 503 CA ILE A 31 4.515 -3.796 -4.322 1.00 0.00 C ATOM 504 C ILE A 31 4.743 -4.871 -5.403 1.00 0.00 C ATOM 505 O ILE A 31 4.191 -5.944 -5.308 1.00 0.00 O ATOM 506 CB ILE A 31 3.454 -2.765 -4.690 1.00 0.00 C ATOM 507 CG1 ILE A 31 3.280 -1.821 -3.496 1.00 0.00 C ATOM 508 CG2 ILE A 31 2.143 -3.461 -4.977 1.00 0.00 C ATOM 509 CD1 ILE A 31 2.609 -0.533 -3.928 1.00 0.00 C ATOM 0 H ILE A 31 5.680 -2.021 -4.426 1.00 0.00 H new ATOM 0 HA ILE A 31 4.206 -4.343 -3.431 1.00 0.00 H new ATOM 0 HB ILE A 31 3.758 -2.209 -5.577 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.683 -2.308 -2.725 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.252 -1.601 -3.055 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.388 -2.720 -5.240 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.274 -4.156 -5.807 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.821 -4.010 -4.092 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.494 0.124 -3.066 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.221 -0.039 -4.682 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.628 -0.757 -4.347 1.00 0.00 H new ATOM 521 N GLN A 32 5.599 -4.617 -6.390 1.00 0.00 N ATOM 522 CA GLN A 32 5.901 -5.668 -7.421 1.00 0.00 C ATOM 523 C GLN A 32 6.752 -6.786 -6.772 1.00 0.00 C ATOM 524 O GLN A 32 6.435 -7.952 -6.893 1.00 0.00 O ATOM 525 CB GLN A 32 6.658 -4.942 -8.550 1.00 0.00 C ATOM 526 CG GLN A 32 5.687 -4.015 -9.300 1.00 0.00 C ATOM 527 CD GLN A 32 6.437 -3.204 -10.359 1.00 0.00 C ATOM 528 OE1 GLN A 32 6.895 -2.110 -10.089 1.00 0.00 O ATOM 529 NE2 GLN A 32 6.581 -3.688 -11.563 1.00 0.00 N ATOM 0 H GLN A 32 6.092 -3.733 -6.517 1.00 0.00 H new ATOM 0 HA GLN A 32 5.005 -6.146 -7.818 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.484 -4.364 -8.136 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.091 -5.668 -9.239 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.902 -4.605 -9.773 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.199 -3.342 -8.595 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.198 -4.605 -11.793 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.076 -3.149 -12.273 1.00 0.00 H new ATOM 538 N SER A 33 7.791 -6.420 -6.032 1.00 0.00 N ATOM 539 CA SER A 33 8.643 -7.439 -5.308 1.00 0.00 C ATOM 540 C SER A 33 7.869 -8.072 -4.127 1.00 0.00 C ATOM 541 O SER A 33 8.120 -9.197 -3.746 1.00 0.00 O ATOM 542 CB SER A 33 9.873 -6.664 -4.810 1.00 0.00 C ATOM 543 OG SER A 33 9.460 -5.503 -4.103 1.00 0.00 O ATOM 0 H SER A 33 8.085 -5.452 -5.899 1.00 0.00 H new ATOM 0 HA SER A 33 8.925 -8.264 -5.961 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.476 -7.300 -4.162 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.502 -6.382 -5.654 1.00 0.00 H new ATOM 0 HG SER A 33 8.491 -5.534 -3.961 1.00 0.00 H new ATOM 549 N LEU A 34 6.942 -7.334 -3.549 1.00 0.00 N ATOM 550 CA LEU A 34 6.132 -7.826 -2.385 1.00 0.00 C ATOM 551 C LEU A 34 4.967 -8.729 -2.857 1.00 0.00 C ATOM 552 O LEU A 34 4.745 -9.784 -2.290 1.00 0.00 O ATOM 553 CB LEU A 34 5.625 -6.524 -1.733 1.00 0.00 C ATOM 554 CG LEU A 34 4.888 -6.787 -0.423 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.880 -7.043 0.689 1.00 0.00 C ATOM 556 CD2 LEU A 34 4.065 -5.558 -0.054 1.00 0.00 C ATOM 0 H LEU A 34 6.710 -6.386 -3.846 1.00 0.00 H new ATOM 0 HA LEU A 34 6.702 -8.446 -1.693 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.469 -5.860 -1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.960 -6.008 -2.425 1.00 0.00 H new ATOM 0 HG LEU A 34 4.244 -7.657 -0.551 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.344 -7.229 1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.489 -7.912 0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.524 -6.172 0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.537 -5.741 0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.726 -4.700 0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.343 -5.353 -0.844 1.00 0.00 H new ATOM 568 N LYS A 35 4.229 -8.324 -3.887 1.00 0.00 N ATOM 569 CA LYS A 35 3.076 -9.162 -4.395 1.00 0.00 C ATOM 570 C LYS A 35 3.601 -10.489 -4.976 1.00 0.00 C ATOM 571 O LYS A 35 2.955 -11.513 -4.847 1.00 0.00 O ATOM 572 CB LYS A 35 2.336 -8.308 -5.463 1.00 0.00 C ATOM 573 CG LYS A 35 1.209 -7.508 -4.816 1.00 0.00 C ATOM 574 CD LYS A 35 -0.073 -7.656 -5.644 1.00 0.00 C ATOM 575 CE LYS A 35 -1.292 -7.662 -4.705 1.00 0.00 C ATOM 576 NZ LYS A 35 -1.768 -9.078 -4.673 1.00 0.00 N ATOM 0 H LYS A 35 4.378 -7.451 -4.393 1.00 0.00 H new ATOM 0 HA LYS A 35 2.386 -9.428 -3.594 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.039 -7.631 -5.948 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.931 -8.957 -6.240 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.039 -7.860 -3.798 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.489 -6.457 -4.747 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.154 -6.836 -6.358 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.041 -8.580 -6.222 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.020 -7.317 -3.707 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.072 -6.994 -5.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.408 -9.211 -3.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.276 -9.294 -5.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.952 -9.716 -4.578 1.00 0.00 H new ATOM 590 N ASP A 36 4.775 -10.479 -5.585 1.00 0.00 N ATOM 591 CA ASP A 36 5.360 -11.745 -6.145 1.00 0.00 C ATOM 592 C ASP A 36 6.178 -12.511 -5.074 1.00 0.00 C ATOM 593 O ASP A 36 6.204 -13.729 -5.088 1.00 0.00 O ATOM 594 CB ASP A 36 6.255 -11.307 -7.323 1.00 0.00 C ATOM 595 CG ASP A 36 5.399 -10.739 -8.476 1.00 0.00 C ATOM 596 OD1 ASP A 36 4.393 -11.345 -8.815 1.00 0.00 O ATOM 597 OD2 ASP A 36 5.779 -9.714 -9.016 1.00 0.00 O ATOM 0 H ASP A 36 5.350 -9.647 -5.716 1.00 0.00 H new ATOM 0 HA ASP A 36 4.579 -12.432 -6.471 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.966 -10.553 -6.985 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.837 -12.157 -7.680 1.00 0.00 H new ATOM 602 N ASP A 37 6.836 -11.814 -4.151 1.00 0.00 N ATOM 603 CA ASP A 37 7.643 -12.519 -3.088 1.00 0.00 C ATOM 604 C ASP A 37 7.097 -12.198 -1.676 1.00 0.00 C ATOM 605 O ASP A 37 7.368 -11.135 -1.137 1.00 0.00 O ATOM 606 CB ASP A 37 9.086 -12.011 -3.243 1.00 0.00 C ATOM 607 CG ASP A 37 10.065 -13.052 -2.680 1.00 0.00 C ATOM 608 OD1 ASP A 37 10.041 -13.281 -1.478 1.00 0.00 O ATOM 609 OD2 ASP A 37 10.823 -13.603 -3.458 1.00 0.00 O ATOM 0 H ASP A 37 6.845 -10.796 -4.093 1.00 0.00 H new ATOM 0 HA ASP A 37 7.588 -13.601 -3.204 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.305 -11.823 -4.294 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.206 -11.063 -2.718 1.00 0.00 H new ATOM 614 N PRO A 38 6.341 -13.136 -1.120 1.00 0.00 N ATOM 615 CA PRO A 38 5.754 -12.955 0.245 1.00 0.00 C ATOM 616 C PRO A 38 6.827 -12.974 1.360 1.00 0.00 C ATOM 617 O PRO A 38 6.728 -12.229 2.315 1.00 0.00 O ATOM 618 CB PRO A 38 4.811 -14.153 0.380 1.00 0.00 C ATOM 619 CG PRO A 38 5.364 -15.184 -0.540 1.00 0.00 C ATOM 620 CD PRO A 38 5.951 -14.435 -1.699 1.00 0.00 C ATOM 0 HA PRO A 38 5.259 -11.990 0.354 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.779 -14.517 1.407 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.791 -13.885 0.105 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.123 -15.786 -0.040 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.583 -15.868 -0.873 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.809 -14.959 -2.120 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.226 -14.312 -2.504 1.00 0.00 H new ATOM 628 N SER A 39 7.831 -13.830 1.249 1.00 0.00 N ATOM 629 CA SER A 39 8.903 -13.913 2.309 1.00 0.00 C ATOM 630 C SER A 39 9.752 -12.628 2.380 1.00 0.00 C ATOM 631 O SER A 39 10.166 -12.226 3.453 1.00 0.00 O ATOM 632 CB SER A 39 9.775 -15.112 1.917 1.00 0.00 C ATOM 633 OG SER A 39 10.652 -15.430 2.993 1.00 0.00 O ATOM 0 H SER A 39 7.953 -14.475 0.468 1.00 0.00 H new ATOM 0 HA SER A 39 8.459 -14.029 3.298 1.00 0.00 H new ATOM 0 HB2 SER A 39 9.147 -15.970 1.679 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.350 -14.880 1.021 1.00 0.00 H new ATOM 0 HG SER A 39 10.126 -15.642 3.792 1.00 0.00 H new ATOM 639 N GLN A 40 10.008 -11.981 1.256 1.00 0.00 N ATOM 640 CA GLN A 40 10.829 -10.720 1.272 1.00 0.00 C ATOM 641 C GLN A 40 10.004 -9.508 1.755 1.00 0.00 C ATOM 642 O GLN A 40 10.529 -8.426 1.824 1.00 0.00 O ATOM 643 CB GLN A 40 11.263 -10.497 -0.191 1.00 0.00 C ATOM 644 CG GLN A 40 12.488 -9.575 -0.242 1.00 0.00 C ATOM 645 CD GLN A 40 12.784 -9.199 -1.698 1.00 0.00 C ATOM 646 OE1 GLN A 40 12.056 -8.433 -2.299 1.00 0.00 O ATOM 647 NE2 GLN A 40 13.826 -9.707 -2.298 1.00 0.00 N ATOM 0 H GLN A 40 9.684 -12.273 0.334 1.00 0.00 H new ATOM 0 HA GLN A 40 11.673 -10.817 1.955 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.498 -11.453 -0.659 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.443 -10.057 -0.759 1.00 0.00 H new ATOM 0 HG2 GLN A 40 12.305 -8.676 0.347 1.00 0.00 H new ATOM 0 HG3 GLN A 40 13.351 -10.074 0.199 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.440 -10.350 -1.798 1.00 0.00 H new ATOM 0 HE22 GLN A 40 14.027 -9.461 -3.267 1.00 0.00 H new ATOM 656 N SER A 41 8.720 -9.668 2.046 1.00 0.00 N ATOM 657 CA SER A 41 7.871 -8.492 2.462 1.00 0.00 C ATOM 658 C SER A 41 8.468 -7.672 3.615 1.00 0.00 C ATOM 659 O SER A 41 8.567 -6.466 3.491 1.00 0.00 O ATOM 660 CB SER A 41 6.505 -9.076 2.857 1.00 0.00 C ATOM 661 OG SER A 41 6.643 -9.932 3.989 1.00 0.00 O ATOM 0 H SER A 41 8.228 -10.561 2.012 1.00 0.00 H new ATOM 0 HA SER A 41 7.800 -7.786 1.635 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.809 -8.269 3.085 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.084 -9.633 2.020 1.00 0.00 H new ATOM 0 HG SER A 41 6.715 -10.862 3.689 1.00 0.00 H new ATOM 667 N ALA A 42 8.868 -8.277 4.720 1.00 0.00 N ATOM 668 CA ALA A 42 9.469 -7.449 5.828 1.00 0.00 C ATOM 669 C ALA A 42 10.712 -6.728 5.308 1.00 0.00 C ATOM 670 O ALA A 42 10.847 -5.533 5.476 1.00 0.00 O ATOM 671 CB ALA A 42 9.901 -8.411 6.897 1.00 0.00 C ATOM 0 H ALA A 42 8.807 -9.279 4.900 1.00 0.00 H new ATOM 0 HA ALA A 42 8.752 -6.716 6.199 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.345 -7.859 7.726 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.036 -8.970 7.255 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.636 -9.104 6.488 1.00 0.00 H new ATOM 677 N ASN A 43 11.595 -7.457 4.640 1.00 0.00 N ATOM 678 CA ASN A 43 12.820 -6.837 4.040 1.00 0.00 C ATOM 679 C ASN A 43 12.398 -5.736 3.087 1.00 0.00 C ATOM 680 O ASN A 43 13.029 -4.719 3.022 1.00 0.00 O ATOM 681 CB ASN A 43 13.496 -7.930 3.227 1.00 0.00 C ATOM 682 CG ASN A 43 14.564 -8.633 4.068 1.00 0.00 C ATOM 683 OD1 ASN A 43 14.410 -9.784 4.425 1.00 0.00 O ATOM 684 ND2 ASN A 43 15.652 -7.989 4.403 1.00 0.00 N ATOM 0 H ASN A 43 11.510 -8.462 4.489 1.00 0.00 H new ATOM 0 HA ASN A 43 13.476 -6.428 4.808 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.754 -8.654 2.890 1.00 0.00 H new ATOM 0 HB3 ASN A 43 13.951 -7.500 2.334 1.00 0.00 H new ATOM 0 HD21 ASN A 43 16.368 -8.453 4.962 1.00 0.00 H new ATOM 0 HD22 ASN A 43 15.785 -7.023 4.105 1.00 0.00 H new ATOM 691 N LEU A 44 11.318 -5.955 2.356 1.00 0.00 N ATOM 692 CA LEU A 44 10.803 -4.933 1.401 1.00 0.00 C ATOM 693 C LEU A 44 10.372 -3.716 2.139 1.00 0.00 C ATOM 694 O LEU A 44 10.701 -2.617 1.739 1.00 0.00 O ATOM 695 CB LEU A 44 9.630 -5.563 0.687 1.00 0.00 C ATOM 696 CG LEU A 44 10.184 -6.460 -0.388 1.00 0.00 C ATOM 697 CD1 LEU A 44 9.028 -7.161 -1.071 1.00 0.00 C ATOM 698 CD2 LEU A 44 10.985 -5.594 -1.359 1.00 0.00 C ATOM 0 H LEU A 44 10.771 -6.815 2.389 1.00 0.00 H new ATOM 0 HA LEU A 44 11.573 -4.629 0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.018 -6.134 1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.988 -4.796 0.253 1.00 0.00 H new ATOM 0 HG LEU A 44 10.847 -7.224 0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.411 -7.816 -1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.478 -7.753 -0.339 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.362 -6.419 -1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.398 -6.221 -2.149 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.332 -4.840 -1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.797 -5.103 -0.823 1.00 0.00 H new ATOM 710 N LEU A 45 9.694 -3.884 3.245 1.00 0.00 N ATOM 711 CA LEU A 45 9.349 -2.681 4.016 1.00 0.00 C ATOM 712 C LEU A 45 10.651 -2.105 4.558 1.00 0.00 C ATOM 713 O LEU A 45 10.882 -0.953 4.409 1.00 0.00 O ATOM 714 CB LEU A 45 8.412 -3.101 5.129 1.00 0.00 C ATOM 715 CG LEU A 45 8.284 -1.967 6.153 1.00 0.00 C ATOM 716 CD1 LEU A 45 8.001 -0.638 5.433 1.00 0.00 C ATOM 717 CD2 LEU A 45 7.145 -2.306 7.107 1.00 0.00 C ATOM 0 H LEU A 45 9.379 -4.775 3.628 1.00 0.00 H new ATOM 0 HA LEU A 45 8.850 -1.920 3.416 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.432 -3.346 4.719 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.789 -4.001 5.614 1.00 0.00 H new ATOM 0 HG LEU A 45 9.214 -1.860 6.712 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.912 0.162 6.168 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.820 -0.413 4.749 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.071 -0.720 4.871 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.038 -1.510 7.844 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.217 -2.406 6.544 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.364 -3.245 7.616 1.00 0.00 H new ATOM 729 N ALA A 46 11.514 -2.916 5.139 1.00 0.00 N ATOM 730 CA ALA A 46 12.831 -2.385 5.653 1.00 0.00 C ATOM 731 C ALA A 46 13.594 -1.644 4.554 1.00 0.00 C ATOM 732 O ALA A 46 14.119 -0.588 4.798 1.00 0.00 O ATOM 733 CB ALA A 46 13.655 -3.607 6.019 1.00 0.00 C ATOM 0 H ALA A 46 11.367 -3.915 5.280 1.00 0.00 H new ATOM 0 HA ALA A 46 12.659 -1.702 6.485 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.626 -3.290 6.400 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.134 -4.181 6.785 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.797 -4.228 5.135 1.00 0.00 H new ATOM 739 N GLU A 47 13.654 -2.187 3.349 1.00 0.00 N ATOM 740 CA GLU A 47 14.367 -1.472 2.247 1.00 0.00 C ATOM 741 C GLU A 47 13.539 -0.243 1.869 1.00 0.00 C ATOM 742 O GLU A 47 14.097 0.800 1.610 1.00 0.00 O ATOM 743 CB GLU A 47 14.613 -2.455 1.089 1.00 0.00 C ATOM 744 CG GLU A 47 13.351 -3.069 0.556 1.00 0.00 C ATOM 745 CD GLU A 47 13.728 -4.265 -0.330 1.00 0.00 C ATOM 746 OE1 GLU A 47 13.931 -4.068 -1.516 1.00 0.00 O ATOM 747 OE2 GLU A 47 13.827 -5.362 0.200 1.00 0.00 O ATOM 0 H GLU A 47 13.242 -3.084 3.092 1.00 0.00 H new ATOM 0 HA GLU A 47 15.351 -1.113 2.548 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.125 -1.933 0.281 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.279 -3.248 1.429 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.711 -3.393 1.377 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.786 -2.335 -0.019 1.00 0.00 H new ATOM 754 N ALA A 48 12.214 -0.323 1.918 1.00 0.00 N ATOM 755 CA ALA A 48 11.391 0.894 1.677 1.00 0.00 C ATOM 756 C ALA A 48 11.634 1.903 2.829 1.00 0.00 C ATOM 757 O ALA A 48 11.741 3.089 2.602 1.00 0.00 O ATOM 758 CB ALA A 48 9.964 0.376 1.699 1.00 0.00 C ATOM 0 H ALA A 48 11.687 -1.174 2.113 1.00 0.00 H new ATOM 0 HA ALA A 48 11.625 1.409 0.745 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.274 1.203 1.529 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.836 -0.370 0.915 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.756 -0.077 2.668 1.00 0.00 H new ATOM 764 N LYS A 49 11.787 1.400 4.054 1.00 0.00 N ATOM 765 CA LYS A 49 12.106 2.255 5.249 1.00 0.00 C ATOM 766 C LYS A 49 13.509 2.834 5.032 1.00 0.00 C ATOM 767 O LYS A 49 13.779 3.994 5.270 1.00 0.00 O ATOM 768 CB LYS A 49 12.128 1.269 6.443 1.00 0.00 C ATOM 769 CG LYS A 49 10.726 0.788 6.814 1.00 0.00 C ATOM 770 CD LYS A 49 9.828 1.969 7.133 1.00 0.00 C ATOM 771 CE LYS A 49 8.588 1.457 7.866 1.00 0.00 C ATOM 772 NZ LYS A 49 8.410 2.351 9.051 1.00 0.00 N ATOM 0 H LYS A 49 11.700 0.407 4.268 1.00 0.00 H new ATOM 0 HA LYS A 49 11.400 3.070 5.412 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.751 0.411 6.193 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.585 1.754 7.306 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.302 0.213 5.991 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.779 0.121 7.674 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.360 2.693 7.750 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.540 2.483 6.216 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.712 1.488 7.219 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.718 0.420 8.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.575 2.048 9.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.253 2.296 9.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.278 3.331 8.730 1.00 0.00 H new ATOM 786 N LYS A 50 14.377 1.986 4.523 1.00 0.00 N ATOM 787 CA LYS A 50 15.783 2.350 4.183 1.00 0.00 C ATOM 788 C LYS A 50 15.758 3.427 3.084 1.00 0.00 C ATOM 789 O LYS A 50 16.512 4.382 3.128 1.00 0.00 O ATOM 790 CB LYS A 50 16.363 1.002 3.700 1.00 0.00 C ATOM 791 CG LYS A 50 17.579 1.160 2.779 1.00 0.00 C ATOM 792 CD LYS A 50 17.623 -0.053 1.828 1.00 0.00 C ATOM 793 CE LYS A 50 18.037 -1.313 2.605 1.00 0.00 C ATOM 794 NZ LYS A 50 18.245 -2.369 1.569 1.00 0.00 N ATOM 0 H LYS A 50 14.149 1.012 4.323 1.00 0.00 H new ATOM 0 HA LYS A 50 16.375 2.773 4.994 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.647 0.405 4.567 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.586 0.448 3.173 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.507 2.087 2.210 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.496 1.217 3.366 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.645 -0.203 1.370 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.329 0.134 1.019 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.948 -1.140 3.177 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.265 -1.607 3.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.530 -3.257 2.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.360 -2.520 1.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 18.991 -2.067 0.910 1.00 0.00 H new ATOM 808 N LEU A 51 14.858 3.283 2.124 1.00 0.00 N ATOM 809 CA LEU A 51 14.721 4.297 1.031 1.00 0.00 C ATOM 810 C LEU A 51 14.096 5.575 1.596 1.00 0.00 C ATOM 811 O LEU A 51 14.445 6.663 1.203 1.00 0.00 O ATOM 812 CB LEU A 51 13.774 3.662 0.000 1.00 0.00 C ATOM 813 CG LEU A 51 14.547 3.025 -1.165 1.00 0.00 C ATOM 814 CD1 LEU A 51 15.867 2.406 -0.696 1.00 0.00 C ATOM 815 CD2 LEU A 51 13.691 1.927 -1.780 1.00 0.00 C ATOM 0 H LEU A 51 14.211 2.497 2.058 1.00 0.00 H new ATOM 0 HA LEU A 51 15.682 4.560 0.590 1.00 0.00 H new ATOM 0 HB2 LEU A 51 13.161 2.904 0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 51 13.094 4.422 -0.386 1.00 0.00 H new ATOM 0 HG LEU A 51 14.771 3.807 -1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.385 1.965 -1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.493 3.179 -0.250 1.00 0.00 H new ATOM 0 HD13 LEU A 51 15.663 1.632 0.044 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.229 1.467 -2.609 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.472 1.171 -1.026 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.758 2.355 -2.147 1.00 0.00 H new ATOM 827 N ASN A 52 13.178 5.429 2.529 1.00 0.00 N ATOM 828 CA ASN A 52 12.510 6.605 3.161 1.00 0.00 C ATOM 829 C ASN A 52 13.555 7.534 3.799 1.00 0.00 C ATOM 830 O ASN A 52 13.466 8.737 3.677 1.00 0.00 O ATOM 831 CB ASN A 52 11.592 6.003 4.234 1.00 0.00 C ATOM 832 CG ASN A 52 10.720 7.095 4.847 1.00 0.00 C ATOM 833 OD1 ASN A 52 9.787 7.557 4.227 1.00 0.00 O ATOM 834 ND2 ASN A 52 10.991 7.532 6.044 1.00 0.00 N ATOM 0 H ASN A 52 12.862 4.525 2.881 1.00 0.00 H new ATOM 0 HA ASN A 52 11.957 7.206 2.439 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.964 5.229 3.794 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.190 5.525 5.010 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.417 8.265 6.461 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.777 7.141 6.564 1.00 0.00 H new ATOM 841 N ASP A 53 14.549 6.977 4.462 1.00 0.00 N ATOM 842 CA ASP A 53 15.613 7.830 5.096 1.00 0.00 C ATOM 843 C ASP A 53 16.703 8.217 4.080 1.00 0.00 C ATOM 844 O ASP A 53 17.191 9.334 4.099 1.00 0.00 O ATOM 845 CB ASP A 53 16.212 6.992 6.229 1.00 0.00 C ATOM 846 CG ASP A 53 15.158 6.753 7.321 1.00 0.00 C ATOM 847 OD1 ASP A 53 14.769 7.714 7.968 1.00 0.00 O ATOM 848 OD2 ASP A 53 14.759 5.615 7.490 1.00 0.00 O ATOM 0 H ASP A 53 14.668 5.972 4.591 1.00 0.00 H new ATOM 0 HA ASP A 53 15.189 8.764 5.466 1.00 0.00 H new ATOM 0 HB2 ASP A 53 16.566 6.038 5.839 1.00 0.00 H new ATOM 0 HB3 ASP A 53 17.077 7.503 6.652 1.00 0.00 H new ATOM 853 N ALA A 54 17.084 7.304 3.201 1.00 0.00 N ATOM 854 CA ALA A 54 18.144 7.618 2.177 1.00 0.00 C ATOM 855 C ALA A 54 17.616 8.663 1.178 1.00 0.00 C ATOM 856 O ALA A 54 18.250 9.678 0.947 1.00 0.00 O ATOM 857 CB ALA A 54 18.434 6.287 1.474 1.00 0.00 C ATOM 0 H ALA A 54 16.706 6.358 3.151 1.00 0.00 H new ATOM 0 HA ALA A 54 19.045 8.036 2.627 1.00 0.00 H new ATOM 0 HB1 ALA A 54 19.199 6.437 0.712 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.787 5.559 2.204 1.00 0.00 H new ATOM 0 HB3 ALA A 54 17.522 5.917 1.005 1.00 0.00 H new ATOM 863 N GLN A 55 16.440 8.431 0.621 1.00 0.00 N ATOM 864 CA GLN A 55 15.821 9.415 -0.336 1.00 0.00 C ATOM 865 C GLN A 55 15.391 10.696 0.414 1.00 0.00 C ATOM 866 O GLN A 55 15.273 11.748 -0.190 1.00 0.00 O ATOM 867 CB GLN A 55 14.592 8.721 -0.941 1.00 0.00 C ATOM 868 CG GLN A 55 15.021 7.495 -1.766 1.00 0.00 C ATOM 869 CD GLN A 55 13.812 6.949 -2.529 1.00 0.00 C ATOM 870 OE1 GLN A 55 13.868 6.774 -3.728 1.00 0.00 O ATOM 871 NE2 GLN A 55 12.712 6.677 -1.882 1.00 0.00 N ATOM 0 H GLN A 55 15.881 7.595 0.791 1.00 0.00 H new ATOM 0 HA GLN A 55 16.531 9.709 -1.109 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.912 8.413 -0.146 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.046 9.421 -1.574 1.00 0.00 H new ATOM 0 HG2 GLN A 55 15.811 7.771 -2.464 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.429 6.726 -1.110 1.00 0.00 H new ATOM 0 HE21 GLN A 55 12.664 6.824 -0.874 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.900 6.318 -2.384 1.00 0.00 H new ATOM 880 N ALA A 56 15.143 10.604 1.721 1.00 0.00 N ATOM 881 CA ALA A 56 14.705 11.803 2.524 1.00 0.00 C ATOM 882 C ALA A 56 15.708 12.964 2.428 1.00 0.00 C ATOM 883 O ALA A 56 16.870 12.761 2.115 1.00 0.00 O ATOM 884 CB ALA A 56 14.625 11.344 3.981 1.00 0.00 C ATOM 0 H ALA A 56 15.228 9.742 2.260 1.00 0.00 H new ATOM 0 HA ALA A 56 13.752 12.167 2.141 1.00 0.00 H new ATOM 0 HB1 ALA A 56 14.311 12.178 4.608 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.903 10.532 4.068 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.605 10.994 4.307 1.00 0.00 H new ATOM 890 N PRO A 57 15.205 14.153 2.707 1.00 0.00 N ATOM 891 CA PRO A 57 16.045 15.381 2.660 1.00 0.00 C ATOM 892 C PRO A 57 16.946 15.504 3.915 1.00 0.00 C ATOM 893 O PRO A 57 16.805 16.421 4.713 1.00 0.00 O ATOM 894 CB PRO A 57 15.012 16.506 2.608 1.00 0.00 C ATOM 895 CG PRO A 57 13.796 15.948 3.274 1.00 0.00 C ATOM 896 CD PRO A 57 13.812 14.461 3.076 1.00 0.00 C ATOM 0 HA PRO A 57 16.734 15.391 1.816 1.00 0.00 H new ATOM 0 HB2 PRO A 57 15.372 17.396 3.125 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.799 16.799 1.580 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.795 16.193 4.336 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.892 16.382 2.846 1.00 0.00 H new ATOM 0 HD2 PRO A 57 13.517 13.936 3.985 1.00 0.00 H new ATOM 0 HD3 PRO A 57 13.117 14.157 2.293 1.00 0.00 H new ATOM 904 N LYS A 58 17.878 14.592 4.082 1.00 0.00 N ATOM 905 CA LYS A 58 18.812 14.642 5.261 1.00 0.00 C ATOM 906 C LYS A 58 20.168 15.240 4.847 1.00 0.00 C ATOM 907 O LYS A 58 20.600 16.172 5.504 1.00 0.00 O ATOM 908 CB LYS A 58 18.978 13.189 5.735 1.00 0.00 C ATOM 909 CG LYS A 58 17.736 12.745 6.517 1.00 0.00 C ATOM 910 CD LYS A 58 17.975 11.346 7.099 1.00 0.00 C ATOM 911 CE LYS A 58 16.767 10.911 7.947 1.00 0.00 C ATOM 912 NZ LYS A 58 15.651 10.648 6.985 1.00 0.00 N ATOM 913 OXT LYS A 58 20.750 14.760 3.884 1.00 0.00 O ATOM 0 H LYS A 58 18.034 13.808 3.448 1.00 0.00 H new ATOM 0 HA LYS A 58 18.418 15.273 6.057 1.00 0.00 H new ATOM 0 HB2 LYS A 58 19.131 12.534 4.877 1.00 0.00 H new ATOM 0 HB3 LYS A 58 19.864 13.102 6.364 1.00 0.00 H new ATOM 0 HG2 LYS A 58 17.524 13.453 7.318 1.00 0.00 H new ATOM 0 HG3 LYS A 58 16.865 12.735 5.862 1.00 0.00 H new ATOM 0 HD2 LYS A 58 18.139 10.631 6.292 1.00 0.00 H new ATOM 0 HD3 LYS A 58 18.877 11.348 7.711 1.00 0.00 H new ATOM 0 HE2 LYS A 58 17.000 10.017 8.526 1.00 0.00 H new ATOM 0 HE3 LYS A 58 16.491 11.689 8.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.084 9.844 7.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 15.048 11.492 6.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 16.045 10.424 6.049 1.00 0.00 H new TER 927 LYS A 58 ATOM 928 N VAL B 1 3.638 -2.096 -19.376 1.00 0.00 N ATOM 929 CA VAL B 1 4.568 -3.271 -19.564 1.00 0.00 C ATOM 930 C VAL B 1 4.305 -4.378 -18.514 1.00 0.00 C ATOM 931 O VAL B 1 4.323 -5.550 -18.849 1.00 0.00 O ATOM 932 CB VAL B 1 6.030 -2.748 -19.468 1.00 0.00 C ATOM 933 CG1 VAL B 1 6.363 -1.902 -20.701 1.00 0.00 C ATOM 934 CG2 VAL B 1 6.257 -1.902 -18.200 1.00 0.00 C ATOM 0 H1 VAL B 1 3.928 -1.320 -20.004 1.00 0.00 H new ATOM 0 H2 VAL B 1 2.665 -2.383 -19.606 1.00 0.00 H new ATOM 0 H3 VAL B 1 3.679 -1.775 -18.388 1.00 0.00 H new ATOM 0 HA VAL B 1 4.394 -3.722 -20.541 1.00 0.00 H new ATOM 0 HB VAL B 1 6.684 -3.618 -19.418 1.00 0.00 H new ATOM 0 HG11 VAL B 1 7.388 -1.539 -20.627 1.00 0.00 H new ATOM 0 HG12 VAL B 1 6.257 -2.511 -21.599 1.00 0.00 H new ATOM 0 HG13 VAL B 1 5.681 -1.054 -20.755 1.00 0.00 H new ATOM 0 HG21 VAL B 1 7.291 -1.557 -18.173 1.00 0.00 H new ATOM 0 HG22 VAL B 1 5.588 -1.042 -18.212 1.00 0.00 H new ATOM 0 HG23 VAL B 1 6.053 -2.508 -17.317 1.00 0.00 H new ATOM 946 N ASP B 2 4.063 -4.024 -17.262 1.00 0.00 N ATOM 947 CA ASP B 2 3.801 -5.065 -16.207 1.00 0.00 C ATOM 948 C ASP B 2 2.351 -5.566 -16.292 1.00 0.00 C ATOM 949 O ASP B 2 1.424 -4.782 -16.420 1.00 0.00 O ATOM 950 CB ASP B 2 4.043 -4.368 -14.854 1.00 0.00 C ATOM 951 CG ASP B 2 5.518 -3.965 -14.719 1.00 0.00 C ATOM 952 OD1 ASP B 2 6.337 -4.844 -14.501 1.00 0.00 O ATOM 953 OD2 ASP B 2 5.801 -2.786 -14.828 1.00 0.00 O ATOM 0 H ASP B 2 4.036 -3.060 -16.930 1.00 0.00 H new ATOM 0 HA ASP B 2 4.450 -5.931 -16.336 1.00 0.00 H new ATOM 0 HB2 ASP B 2 3.409 -3.485 -14.773 1.00 0.00 H new ATOM 0 HB3 ASP B 2 3.765 -5.036 -14.038 1.00 0.00 H new ATOM 958 N ASN B 3 2.155 -6.867 -16.207 1.00 0.00 N ATOM 959 CA ASN B 3 0.768 -7.444 -16.266 1.00 0.00 C ATOM 960 C ASN B 3 0.408 -8.074 -14.903 1.00 0.00 C ATOM 961 O ASN B 3 -0.071 -9.195 -14.824 1.00 0.00 O ATOM 962 CB ASN B 3 0.827 -8.497 -17.386 1.00 0.00 C ATOM 963 CG ASN B 3 -0.592 -8.828 -17.869 1.00 0.00 C ATOM 964 OD1 ASN B 3 -1.241 -8.008 -18.487 1.00 0.00 O ATOM 965 ND2 ASN B 3 -1.104 -10.002 -17.613 1.00 0.00 N ATOM 0 H ASN B 3 2.900 -7.555 -16.099 1.00 0.00 H new ATOM 0 HA ASN B 3 0.001 -6.697 -16.470 1.00 0.00 H new ATOM 0 HB2 ASN B 3 1.425 -8.123 -18.217 1.00 0.00 H new ATOM 0 HB3 ASN B 3 1.316 -9.400 -17.022 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -2.046 -10.228 -17.932 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -0.562 -10.693 -17.094 1.00 0.00 H new ATOM 972 N LYS B 4 0.641 -7.343 -13.830 1.00 0.00 N ATOM 973 CA LYS B 4 0.330 -7.858 -12.452 1.00 0.00 C ATOM 974 C LYS B 4 -0.426 -6.794 -11.638 1.00 0.00 C ATOM 975 O LYS B 4 -0.309 -5.605 -11.892 1.00 0.00 O ATOM 976 CB LYS B 4 1.691 -8.166 -11.811 1.00 0.00 C ATOM 977 CG LYS B 4 2.366 -9.333 -12.548 1.00 0.00 C ATOM 978 CD LYS B 4 3.664 -9.718 -11.830 1.00 0.00 C ATOM 979 CE LYS B 4 4.400 -10.791 -12.641 1.00 0.00 C ATOM 980 NZ LYS B 4 5.490 -11.293 -11.751 1.00 0.00 N ATOM 0 H LYS B 4 1.037 -6.403 -13.852 1.00 0.00 H new ATOM 0 HA LYS B 4 -0.308 -8.741 -12.484 1.00 0.00 H new ATOM 0 HB2 LYS B 4 2.329 -7.283 -11.850 1.00 0.00 H new ATOM 0 HB3 LYS B 4 1.558 -8.418 -10.759 1.00 0.00 H new ATOM 0 HG2 LYS B 4 1.693 -10.189 -12.586 1.00 0.00 H new ATOM 0 HG3 LYS B 4 2.580 -9.050 -13.579 1.00 0.00 H new ATOM 0 HD2 LYS B 4 4.299 -8.840 -11.708 1.00 0.00 H new ATOM 0 HD3 LYS B 4 3.442 -10.092 -10.830 1.00 0.00 H new ATOM 0 HE2 LYS B 4 3.725 -11.598 -12.927 1.00 0.00 H new ATOM 0 HE3 LYS B 4 4.807 -10.375 -13.562 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 6.295 -11.605 -12.330 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 5.796 -10.531 -11.114 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 5.138 -12.094 -11.189 1.00 0.00 H new ATOM 994 N PHE B 5 -1.204 -7.221 -10.658 1.00 0.00 N ATOM 995 CA PHE B 5 -1.985 -6.258 -9.808 1.00 0.00 C ATOM 996 C PHE B 5 -1.089 -5.340 -8.958 1.00 0.00 C ATOM 997 O PHE B 5 -1.548 -4.318 -8.484 1.00 0.00 O ATOM 998 CB PHE B 5 -2.864 -7.124 -8.905 1.00 0.00 C ATOM 999 CG PHE B 5 -4.170 -7.446 -9.603 1.00 0.00 C ATOM 1000 CD1 PHE B 5 -5.149 -6.453 -9.747 1.00 0.00 C ATOM 1001 CD2 PHE B 5 -4.405 -8.733 -10.098 1.00 0.00 C ATOM 1002 CE1 PHE B 5 -6.357 -6.748 -10.384 1.00 0.00 C ATOM 1003 CE2 PHE B 5 -5.614 -9.028 -10.737 1.00 0.00 C ATOM 1004 CZ PHE B 5 -6.591 -8.036 -10.878 1.00 0.00 C ATOM 0 H PHE B 5 -1.329 -8.203 -10.412 1.00 0.00 H new ATOM 0 HA PHE B 5 -2.564 -5.587 -10.443 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -2.341 -8.046 -8.652 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -3.062 -6.602 -7.969 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -4.969 -5.459 -9.365 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -3.652 -9.500 -9.987 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -7.110 -5.982 -10.495 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -5.793 -10.021 -11.121 1.00 0.00 H new ATOM 0 HZ PHE B 5 -7.526 -8.265 -11.368 1.00 0.00 H new ATOM 1014 N ASN B 6 0.172 -5.683 -8.760 1.00 0.00 N ATOM 1015 CA ASN B 6 1.089 -4.800 -7.939 1.00 0.00 C ATOM 1016 C ASN B 6 1.154 -3.373 -8.522 1.00 0.00 C ATOM 1017 O ASN B 6 1.210 -2.401 -7.789 1.00 0.00 O ATOM 1018 CB ASN B 6 2.490 -5.460 -7.901 1.00 0.00 C ATOM 1019 CG ASN B 6 2.922 -6.042 -9.263 1.00 0.00 C ATOM 1020 OD1 ASN B 6 2.747 -5.425 -10.297 1.00 0.00 O ATOM 1021 ND2 ASN B 6 3.492 -7.215 -9.300 1.00 0.00 N ATOM 0 H ASN B 6 0.606 -6.530 -9.128 1.00 0.00 H new ATOM 0 HA ASN B 6 0.702 -4.705 -6.924 1.00 0.00 H new ATOM 0 HB2 ASN B 6 3.224 -4.722 -7.579 1.00 0.00 H new ATOM 0 HB3 ASN B 6 2.490 -6.256 -7.156 1.00 0.00 H new ATOM 0 HD21 ASN B 6 3.788 -7.610 -10.192 1.00 0.00 H new ATOM 0 HD22 ASN B 6 3.641 -7.737 -8.436 1.00 0.00 H new ATOM 1028 N LYS B 7 1.103 -3.249 -9.828 1.00 0.00 N ATOM 1029 CA LYS B 7 1.110 -1.892 -10.478 1.00 0.00 C ATOM 1030 C LYS B 7 -0.164 -1.127 -10.081 1.00 0.00 C ATOM 1031 O LYS B 7 -0.139 0.074 -9.879 1.00 0.00 O ATOM 1032 CB LYS B 7 1.142 -2.164 -11.991 1.00 0.00 C ATOM 1033 CG LYS B 7 1.948 -1.077 -12.707 1.00 0.00 C ATOM 1034 CD LYS B 7 3.443 -1.419 -12.628 1.00 0.00 C ATOM 1035 CE LYS B 7 4.265 -0.315 -13.305 1.00 0.00 C ATOM 1036 NZ LYS B 7 5.661 -0.490 -12.797 1.00 0.00 N ATOM 0 H LYS B 7 1.056 -4.033 -10.478 1.00 0.00 H new ATOM 0 HA LYS B 7 1.960 -1.283 -10.170 1.00 0.00 H new ATOM 0 HB2 LYS B 7 1.585 -3.141 -12.183 1.00 0.00 H new ATOM 0 HB3 LYS B 7 0.126 -2.192 -12.384 1.00 0.00 H new ATOM 0 HG2 LYS B 7 1.635 -1.002 -13.748 1.00 0.00 H new ATOM 0 HG3 LYS B 7 1.760 -0.107 -12.247 1.00 0.00 H new ATOM 0 HD2 LYS B 7 3.747 -1.524 -11.587 1.00 0.00 H new ATOM 0 HD3 LYS B 7 3.633 -2.376 -13.114 1.00 0.00 H new ATOM 0 HE2 LYS B 7 4.228 -0.407 -14.390 1.00 0.00 H new ATOM 0 HE3 LYS B 7 3.877 0.673 -13.055 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 6.230 0.342 -13.053 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 5.644 -0.593 -11.762 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 6.081 -1.341 -13.222 1.00 0.00 H new ATOM 1050 N GLU B 8 -1.258 -1.838 -9.937 1.00 0.00 N ATOM 1051 CA GLU B 8 -2.550 -1.208 -9.510 1.00 0.00 C ATOM 1052 C GLU B 8 -2.481 -0.759 -8.052 1.00 0.00 C ATOM 1053 O GLU B 8 -3.087 0.227 -7.695 1.00 0.00 O ATOM 1054 CB GLU B 8 -3.622 -2.290 -9.686 1.00 0.00 C ATOM 1055 CG GLU B 8 -4.433 -2.026 -10.954 1.00 0.00 C ATOM 1056 CD GLU B 8 -5.420 -3.178 -11.175 1.00 0.00 C ATOM 1057 OE1 GLU B 8 -6.462 -3.178 -10.536 1.00 0.00 O ATOM 1058 OE2 GLU B 8 -5.116 -4.046 -11.978 1.00 0.00 O ATOM 0 H GLU B 8 -1.311 -2.844 -10.100 1.00 0.00 H new ATOM 0 HA GLU B 8 -2.772 -0.320 -10.102 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -3.152 -3.272 -9.743 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -4.282 -2.303 -8.819 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -4.972 -1.083 -10.865 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -3.767 -1.933 -11.812 1.00 0.00 H new ATOM 1065 N LEU B 9 -1.729 -1.448 -7.216 1.00 0.00 N ATOM 1066 CA LEU B 9 -1.615 -1.011 -5.781 1.00 0.00 C ATOM 1067 C LEU B 9 -0.804 0.278 -5.697 1.00 0.00 C ATOM 1068 O LEU B 9 -0.947 1.034 -4.757 1.00 0.00 O ATOM 1069 CB LEU B 9 -0.909 -2.097 -4.966 1.00 0.00 C ATOM 1070 CG LEU B 9 -1.475 -3.499 -5.241 1.00 0.00 C ATOM 1071 CD1 LEU B 9 -0.555 -4.550 -4.598 1.00 0.00 C ATOM 1072 CD2 LEU B 9 -2.882 -3.590 -4.629 1.00 0.00 C ATOM 0 H LEU B 9 -1.196 -2.283 -7.461 1.00 0.00 H new ATOM 0 HA LEU B 9 -2.615 -0.842 -5.382 1.00 0.00 H new ATOM 0 HB2 LEU B 9 0.156 -2.086 -5.198 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.006 -1.871 -3.904 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.530 -3.682 -6.314 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -0.952 -5.547 -4.790 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.445 -4.469 -5.025 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.505 -4.380 -3.522 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.297 -4.580 -4.816 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -2.823 -3.419 -3.554 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -3.525 -2.836 -5.082 1.00 0.00 H new ATOM 1084 N SER B 10 0.032 0.554 -6.680 1.00 0.00 N ATOM 1085 CA SER B 10 0.806 1.823 -6.651 1.00 0.00 C ATOM 1086 C SER B 10 -0.198 2.989 -6.757 1.00 0.00 C ATOM 1087 O SER B 10 -0.169 3.920 -5.974 1.00 0.00 O ATOM 1088 CB SER B 10 1.739 1.752 -7.874 1.00 0.00 C ATOM 1089 OG SER B 10 1.837 3.021 -8.520 1.00 0.00 O ATOM 0 H SER B 10 0.203 -0.044 -7.488 1.00 0.00 H new ATOM 0 HA SER B 10 1.389 1.971 -5.742 1.00 0.00 H new ATOM 0 HB2 SER B 10 2.730 1.422 -7.561 1.00 0.00 H new ATOM 0 HB3 SER B 10 1.364 1.010 -8.579 1.00 0.00 H new ATOM 0 HG SER B 10 2.464 2.958 -9.271 1.00 0.00 H new ATOM 1095 N VAL B 11 -1.107 2.903 -7.717 1.00 0.00 N ATOM 1096 CA VAL B 11 -2.136 3.979 -7.911 1.00 0.00 C ATOM 1097 C VAL B 11 -3.284 3.819 -6.898 1.00 0.00 C ATOM 1098 O VAL B 11 -3.569 4.722 -6.136 1.00 0.00 O ATOM 1099 CB VAL B 11 -2.646 3.793 -9.359 1.00 0.00 C ATOM 1100 CG1 VAL B 11 -3.550 4.966 -9.750 1.00 0.00 C ATOM 1101 CG2 VAL B 11 -1.456 3.722 -10.336 1.00 0.00 C ATOM 0 H VAL B 11 -1.175 2.126 -8.375 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.723 4.975 -7.753 1.00 0.00 H new ATOM 0 HB VAL B 11 -3.212 2.863 -9.411 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -3.905 4.827 -10.771 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -4.403 5.010 -9.072 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -2.987 5.897 -9.685 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -1.827 3.591 -11.352 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -0.880 4.646 -10.276 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -0.818 2.879 -10.071 1.00 0.00 H new ATOM 1111 N ALA B 12 -3.933 2.671 -6.894 1.00 0.00 N ATOM 1112 CA ALA B 12 -5.073 2.420 -5.947 1.00 0.00 C ATOM 1113 C ALA B 12 -4.618 2.432 -4.493 1.00 0.00 C ATOM 1114 O ALA B 12 -5.243 3.045 -3.658 1.00 0.00 O ATOM 1115 CB ALA B 12 -5.607 1.030 -6.308 1.00 0.00 C ATOM 0 H ALA B 12 -3.717 1.890 -7.514 1.00 0.00 H new ATOM 0 HA ALA B 12 -5.828 3.200 -6.042 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -6.443 0.780 -5.655 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -5.943 1.027 -7.345 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -4.815 0.292 -6.182 1.00 0.00 H new ATOM 1121 N GLY B 13 -3.542 1.759 -4.205 1.00 0.00 N ATOM 1122 CA GLY B 13 -3.016 1.683 -2.815 1.00 0.00 C ATOM 1123 C GLY B 13 -2.626 3.060 -2.306 1.00 0.00 C ATOM 1124 O GLY B 13 -3.113 3.490 -1.282 1.00 0.00 O ATOM 0 H GLY B 13 -2.991 1.245 -4.893 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -3.771 1.249 -2.160 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -2.150 1.021 -2.785 1.00 0.00 H new ATOM 1128 N ARG B 14 -1.725 3.733 -2.990 1.00 0.00 N ATOM 1129 CA ARG B 14 -1.272 5.080 -2.497 1.00 0.00 C ATOM 1130 C ARG B 14 -2.442 6.087 -2.411 1.00 0.00 C ATOM 1131 O ARG B 14 -2.522 6.844 -1.461 1.00 0.00 O ATOM 1132 CB ARG B 14 -0.188 5.576 -3.459 1.00 0.00 C ATOM 1133 CG ARG B 14 0.992 6.144 -2.659 1.00 0.00 C ATOM 1134 CD ARG B 14 0.521 7.224 -1.682 1.00 0.00 C ATOM 1135 NE ARG B 14 1.693 7.460 -0.802 1.00 0.00 N ATOM 1136 CZ ARG B 14 2.051 8.675 -0.481 1.00 0.00 C ATOM 1137 NH1 ARG B 14 2.950 9.301 -1.200 1.00 0.00 N ATOM 1138 NH2 ARG B 14 1.513 9.260 0.563 1.00 0.00 N ATOM 0 H ARG B 14 -1.289 3.415 -3.855 1.00 0.00 H new ATOM 0 HA ARG B 14 -0.878 4.990 -1.485 1.00 0.00 H new ATOM 0 HB2 ARG B 14 0.151 4.757 -4.094 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -0.596 6.343 -4.118 1.00 0.00 H new ATOM 0 HG2 ARG B 14 1.484 5.341 -2.110 1.00 0.00 H new ATOM 0 HG3 ARG B 14 1.731 6.563 -3.342 1.00 0.00 H new ATOM 0 HD2 ARG B 14 0.228 8.134 -2.206 1.00 0.00 H new ATOM 0 HD3 ARG B 14 -0.345 6.892 -1.110 1.00 0.00 H new ATOM 0 HE ARG B 14 2.224 6.666 -0.444 1.00 0.00 H new ATOM 0 HH11 ARG B 14 3.368 8.840 -2.008 1.00 0.00 H new ATOM 0 HH12 ARG B 14 3.231 10.249 -0.952 1.00 0.00 H new ATOM 0 HH21 ARG B 14 0.817 8.766 1.122 1.00 0.00 H new ATOM 0 HH22 ARG B 14 1.791 10.208 0.816 1.00 0.00 H new ATOM 1152 N GLU B 15 -3.370 6.088 -3.361 1.00 0.00 N ATOM 1153 CA GLU B 15 -4.546 7.035 -3.251 1.00 0.00 C ATOM 1154 C GLU B 15 -5.362 6.644 -2.004 1.00 0.00 C ATOM 1155 O GLU B 15 -5.740 7.489 -1.216 1.00 0.00 O ATOM 1156 CB GLU B 15 -5.377 6.856 -4.520 1.00 0.00 C ATOM 1157 CG GLU B 15 -4.701 7.557 -5.705 1.00 0.00 C ATOM 1158 CD GLU B 15 -5.600 7.442 -6.941 1.00 0.00 C ATOM 1159 OE1 GLU B 15 -5.522 6.429 -7.617 1.00 0.00 O ATOM 1160 OE2 GLU B 15 -6.360 8.365 -7.184 1.00 0.00 O ATOM 0 H GLU B 15 -3.365 5.489 -4.187 1.00 0.00 H new ATOM 0 HA GLU B 15 -4.236 8.075 -3.153 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -5.497 5.795 -4.737 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -6.376 7.265 -4.369 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -4.522 8.606 -5.468 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -3.730 7.104 -5.904 1.00 0.00 H new ATOM 1167 N ILE B 16 -5.557 5.347 -1.804 1.00 0.00 N ATOM 1168 CA ILE B 16 -6.262 4.824 -0.582 1.00 0.00 C ATOM 1169 C ILE B 16 -5.430 5.186 0.687 1.00 0.00 C ATOM 1170 O ILE B 16 -5.969 5.340 1.765 1.00 0.00 O ATOM 1171 CB ILE B 16 -6.351 3.286 -0.804 1.00 0.00 C ATOM 1172 CG1 ILE B 16 -7.427 2.968 -1.860 1.00 0.00 C ATOM 1173 CG2 ILE B 16 -6.712 2.568 0.494 1.00 0.00 C ATOM 1174 CD1 ILE B 16 -7.317 1.500 -2.297 1.00 0.00 C ATOM 0 H ILE B 16 -5.249 4.622 -2.452 1.00 0.00 H new ATOM 0 HA ILE B 16 -7.253 5.253 -0.434 1.00 0.00 H new ATOM 0 HB ILE B 16 -5.376 2.940 -1.146 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -8.418 3.161 -1.450 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -7.306 3.623 -2.723 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -6.768 1.495 0.313 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -5.949 2.770 1.246 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -7.677 2.926 0.852 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -8.081 1.284 -3.043 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -6.331 1.321 -2.725 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -7.461 0.851 -1.433 1.00 0.00 H new ATOM 1186 N VAL B 17 -4.118 5.324 0.538 1.00 0.00 N ATOM 1187 CA VAL B 17 -3.207 5.684 1.684 1.00 0.00 C ATOM 1188 C VAL B 17 -3.301 7.179 2.052 1.00 0.00 C ATOM 1189 O VAL B 17 -3.207 7.526 3.215 1.00 0.00 O ATOM 1190 CB VAL B 17 -1.771 5.368 1.174 1.00 0.00 C ATOM 1191 CG1 VAL B 17 -0.696 6.122 1.972 1.00 0.00 C ATOM 1192 CG2 VAL B 17 -1.498 3.879 1.286 1.00 0.00 C ATOM 0 H VAL B 17 -3.636 5.198 -0.352 1.00 0.00 H new ATOM 0 HA VAL B 17 -3.479 5.127 2.581 1.00 0.00 H new ATOM 0 HB VAL B 17 -1.722 5.692 0.134 1.00 0.00 H new ATOM 0 HG11 VAL B 17 0.290 5.871 1.581 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -0.860 7.196 1.880 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -0.754 5.835 3.022 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -0.491 3.666 0.927 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -1.585 3.571 2.328 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -2.222 3.330 0.684 1.00 0.00 H new ATOM 1202 N THR B 18 -3.397 8.067 1.072 1.00 0.00 N ATOM 1203 CA THR B 18 -3.386 9.531 1.394 1.00 0.00 C ATOM 1204 C THR B 18 -4.535 10.347 0.751 1.00 0.00 C ATOM 1205 O THR B 18 -4.352 11.522 0.472 1.00 0.00 O ATOM 1206 CB THR B 18 -1.994 10.002 0.907 1.00 0.00 C ATOM 1207 OG1 THR B 18 -1.722 11.314 1.399 1.00 0.00 O ATOM 1208 CG2 THR B 18 -1.912 9.995 -0.630 1.00 0.00 C ATOM 0 H THR B 18 -3.481 7.838 0.082 1.00 0.00 H new ATOM 0 HA THR B 18 -3.555 9.695 2.458 1.00 0.00 H new ATOM 0 HB THR B 18 -1.248 9.307 1.293 1.00 0.00 H new ATOM 0 HG1 THR B 18 -2.505 11.886 1.255 1.00 0.00 H new ATOM 0 HG21 THR B 18 -0.923 10.330 -0.943 1.00 0.00 H new ATOM 0 HG22 THR B 18 -2.086 8.984 -0.999 1.00 0.00 H new ATOM 0 HG23 THR B 18 -2.668 10.665 -1.038 1.00 0.00 H new ATOM 1216 N LEU B 19 -5.722 9.779 0.549 1.00 0.00 N ATOM 1217 CA LEU B 19 -6.851 10.615 -0.031 1.00 0.00 C ATOM 1218 C LEU B 19 -7.139 11.841 0.902 1.00 0.00 C ATOM 1219 O LEU B 19 -6.680 11.876 2.034 1.00 0.00 O ATOM 1220 CB LEU B 19 -8.067 9.691 -0.212 1.00 0.00 C ATOM 1221 CG LEU B 19 -8.315 8.826 1.022 1.00 0.00 C ATOM 1222 CD1 LEU B 19 -9.773 8.953 1.399 1.00 0.00 C ATOM 1223 CD2 LEU B 19 -7.991 7.362 0.700 1.00 0.00 C ATOM 0 H LEU B 19 -5.952 8.806 0.753 1.00 0.00 H new ATOM 0 HA LEU B 19 -6.589 11.032 -1.003 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -8.952 10.293 -0.417 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -7.909 9.050 -1.079 1.00 0.00 H new ATOM 0 HG LEU B 19 -7.681 9.152 1.846 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -9.976 8.343 2.279 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -10.002 9.996 1.619 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -10.394 8.612 0.571 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -8.169 6.747 1.582 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -8.628 7.019 -0.115 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -6.945 7.277 0.404 1.00 0.00 H new ATOM 1235 N PRO B 20 -7.801 12.852 0.354 1.00 0.00 N ATOM 1236 CA PRO B 20 -8.030 14.159 1.083 1.00 0.00 C ATOM 1237 C PRO B 20 -8.785 14.113 2.437 1.00 0.00 C ATOM 1238 O PRO B 20 -8.560 14.989 3.255 1.00 0.00 O ATOM 1239 CB PRO B 20 -8.807 14.994 0.060 1.00 0.00 C ATOM 1240 CG PRO B 20 -9.435 13.992 -0.847 1.00 0.00 C ATOM 1241 CD PRO B 20 -8.426 12.888 -0.980 1.00 0.00 C ATOM 0 HA PRO B 20 -7.066 14.557 1.399 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -9.560 15.615 0.546 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -8.145 15.665 -0.488 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -10.372 13.620 -0.433 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -9.667 14.431 -1.817 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -8.897 11.938 -1.231 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -7.697 13.099 -1.762 1.00 0.00 H new ATOM 1249 N ASN B 21 -9.683 13.177 2.690 1.00 0.00 N ATOM 1250 CA ASN B 21 -10.437 13.213 4.012 1.00 0.00 C ATOM 1251 C ASN B 21 -10.349 11.897 4.799 1.00 0.00 C ATOM 1252 O ASN B 21 -11.303 11.521 5.471 1.00 0.00 O ATOM 1253 CB ASN B 21 -11.896 13.441 3.624 1.00 0.00 C ATOM 1254 CG ASN B 21 -12.129 14.820 2.997 1.00 0.00 C ATOM 1255 OD1 ASN B 21 -11.352 15.739 3.163 1.00 0.00 O ATOM 1256 ND2 ASN B 21 -13.202 14.996 2.283 1.00 0.00 N ATOM 0 H ASN B 21 -9.926 12.409 2.064 1.00 0.00 H new ATOM 0 HA ASN B 21 -10.012 13.984 4.655 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -12.206 12.669 2.920 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -12.524 13.337 4.509 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -13.391 15.906 1.862 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -13.854 14.224 2.144 1.00 0.00 H new ATOM 1263 N LEU B 22 -9.255 11.185 4.730 1.00 0.00 N ATOM 1264 CA LEU B 22 -9.184 9.890 5.476 1.00 0.00 C ATOM 1265 C LEU B 22 -8.147 9.902 6.594 1.00 0.00 C ATOM 1266 O LEU B 22 -7.198 10.668 6.586 1.00 0.00 O ATOM 1267 CB LEU B 22 -8.785 8.863 4.438 1.00 0.00 C ATOM 1268 CG LEU B 22 -9.415 7.510 4.763 1.00 0.00 C ATOM 1269 CD1 LEU B 22 -10.888 7.487 4.334 1.00 0.00 C ATOM 1270 CD2 LEU B 22 -8.647 6.427 4.018 1.00 0.00 C ATOM 0 H LEU B 22 -8.420 11.436 4.200 1.00 0.00 H new ATOM 0 HA LEU B 22 -10.140 9.682 5.957 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -9.104 9.192 3.449 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -7.699 8.769 4.408 1.00 0.00 H new ATOM 0 HG LEU B 22 -9.368 7.335 5.838 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -11.321 6.516 4.573 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -11.433 8.268 4.864 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -10.957 7.661 3.260 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -9.084 5.453 4.239 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -8.702 6.614 2.946 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -7.604 6.437 4.335 1.00 0.00 H new ATOM 1282 N ASN B 23 -8.325 9.004 7.531 1.00 0.00 N ATOM 1283 CA ASN B 23 -7.349 8.865 8.672 1.00 0.00 C ATOM 1284 C ASN B 23 -6.680 7.463 8.640 1.00 0.00 C ATOM 1285 O ASN B 23 -7.117 6.576 7.925 1.00 0.00 O ATOM 1286 CB ASN B 23 -8.142 9.138 9.975 1.00 0.00 C ATOM 1287 CG ASN B 23 -9.223 8.079 10.247 1.00 0.00 C ATOM 1288 OD1 ASN B 23 -9.592 7.328 9.381 1.00 0.00 O ATOM 1289 ND2 ASN B 23 -9.754 7.998 11.437 1.00 0.00 N ATOM 0 H ASN B 23 -9.110 8.353 7.560 1.00 0.00 H new ATOM 0 HA ASN B 23 -6.529 9.579 8.600 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -7.450 9.169 10.817 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -8.610 10.120 9.911 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -10.475 7.303 11.627 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -9.447 8.630 12.176 1.00 0.00 H new ATOM 1296 N ASP B 24 -5.585 7.297 9.368 1.00 0.00 N ATOM 1297 CA ASP B 24 -4.790 6.001 9.362 1.00 0.00 C ATOM 1298 C ASP B 24 -5.604 4.672 9.474 1.00 0.00 C ATOM 1299 O ASP B 24 -5.231 3.728 8.795 1.00 0.00 O ATOM 1300 CB ASP B 24 -3.719 6.123 10.477 1.00 0.00 C ATOM 1301 CG ASP B 24 -4.341 6.237 11.875 1.00 0.00 C ATOM 1302 OD1 ASP B 24 -4.747 7.331 12.239 1.00 0.00 O ATOM 1303 OD2 ASP B 24 -4.383 5.231 12.565 1.00 0.00 O ATOM 0 H ASP B 24 -5.200 8.018 9.978 1.00 0.00 H new ATOM 0 HA ASP B 24 -4.349 5.901 8.370 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -3.063 5.253 10.444 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -3.098 6.998 10.286 1.00 0.00 H new ATOM 1308 N PRO B 25 -6.655 4.582 10.296 1.00 0.00 N ATOM 1309 CA PRO B 25 -7.405 3.286 10.397 1.00 0.00 C ATOM 1310 C PRO B 25 -8.163 2.936 9.093 1.00 0.00 C ATOM 1311 O PRO B 25 -8.232 1.777 8.726 1.00 0.00 O ATOM 1312 CB PRO B 25 -8.380 3.520 11.549 1.00 0.00 C ATOM 1313 CG PRO B 25 -8.561 5.000 11.600 1.00 0.00 C ATOM 1314 CD PRO B 25 -7.250 5.604 11.180 1.00 0.00 C ATOM 0 HA PRO B 25 -6.735 2.442 10.563 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -9.328 3.011 11.374 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -7.981 3.138 12.489 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -9.365 5.316 10.935 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -8.833 5.323 12.605 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -7.395 6.549 10.657 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -6.611 5.810 12.039 1.00 0.00 H new ATOM 1322 N GLN B 26 -8.735 3.916 8.403 1.00 0.00 N ATOM 1323 CA GLN B 26 -9.494 3.612 7.135 1.00 0.00 C ATOM 1324 C GLN B 26 -8.525 3.144 6.042 1.00 0.00 C ATOM 1325 O GLN B 26 -8.681 2.060 5.513 1.00 0.00 O ATOM 1326 CB GLN B 26 -10.175 4.924 6.710 1.00 0.00 C ATOM 1327 CG GLN B 26 -11.007 5.506 7.859 1.00 0.00 C ATOM 1328 CD GLN B 26 -12.353 4.802 7.997 1.00 0.00 C ATOM 1329 OE1 GLN B 26 -12.455 3.596 7.887 1.00 0.00 O ATOM 1330 NE2 GLN B 26 -13.394 5.525 8.261 1.00 0.00 N ATOM 0 H GLN B 26 -8.707 4.902 8.664 1.00 0.00 H new ATOM 0 HA GLN B 26 -10.226 2.820 7.292 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -9.420 5.647 6.400 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -10.816 4.743 5.847 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -10.452 5.415 8.792 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -11.169 6.570 7.688 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -13.302 6.537 8.352 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -14.306 5.083 8.378 1.00 0.00 H new ATOM 1339 N LYS B 27 -7.520 3.956 5.710 1.00 0.00 N ATOM 1340 CA LYS B 27 -6.515 3.565 4.647 1.00 0.00 C ATOM 1341 C LYS B 27 -5.945 2.179 4.934 1.00 0.00 C ATOM 1342 O LYS B 27 -5.803 1.371 4.036 1.00 0.00 O ATOM 1343 CB LYS B 27 -5.384 4.617 4.627 1.00 0.00 C ATOM 1344 CG LYS B 27 -4.962 5.092 6.031 1.00 0.00 C ATOM 1345 CD LYS B 27 -4.410 6.523 5.941 1.00 0.00 C ATOM 1346 CE LYS B 27 -5.492 7.494 5.437 1.00 0.00 C ATOM 1347 NZ LYS B 27 -4.984 8.860 5.766 1.00 0.00 N ATOM 0 H LYS B 27 -7.358 4.870 6.133 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.005 3.531 3.674 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -4.516 4.197 4.118 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -5.710 5.478 4.043 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -5.815 5.061 6.709 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -4.205 4.423 6.441 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -4.055 6.843 6.921 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -3.553 6.545 5.268 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -5.652 7.382 4.365 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -6.449 7.303 5.923 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -5.788 9.505 5.905 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -4.418 8.819 6.637 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -4.392 9.208 4.985 1.00 0.00 H new ATOM 1361 N LYS B 28 -5.659 1.894 6.186 1.00 0.00 N ATOM 1362 CA LYS B 28 -5.136 0.542 6.563 1.00 0.00 C ATOM 1363 C LYS B 28 -6.155 -0.549 6.163 1.00 0.00 C ATOM 1364 O LYS B 28 -5.794 -1.586 5.636 1.00 0.00 O ATOM 1365 CB LYS B 28 -5.056 0.556 8.103 1.00 0.00 C ATOM 1366 CG LYS B 28 -3.635 0.799 8.575 1.00 0.00 C ATOM 1367 CD LYS B 28 -2.988 -0.537 8.939 1.00 0.00 C ATOM 1368 CE LYS B 28 -1.494 -0.504 8.608 1.00 0.00 C ATOM 1369 NZ LYS B 28 -0.840 0.282 9.701 1.00 0.00 N ATOM 0 H LYS B 28 -5.767 2.544 6.964 1.00 0.00 H new ATOM 0 HA LYS B 28 -4.182 0.337 6.076 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.711 1.333 8.497 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -5.416 -0.394 8.497 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -3.059 1.294 7.793 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -3.635 1.463 9.439 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -3.129 -0.741 10.000 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -3.472 -1.346 8.392 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -1.085 -1.513 8.556 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -1.321 -0.039 7.637 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -0.454 1.165 9.310 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -1.542 0.505 10.436 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -0.069 -0.278 10.118 1.00 0.00 H new ATOM 1383 N ALA B 29 -7.428 -0.305 6.459 1.00 0.00 N ATOM 1384 CA ALA B 29 -8.518 -1.296 6.163 1.00 0.00 C ATOM 1385 C ALA B 29 -8.606 -1.643 4.670 1.00 0.00 C ATOM 1386 O ALA B 29 -8.601 -2.815 4.328 1.00 0.00 O ATOM 1387 CB ALA B 29 -9.819 -0.630 6.633 1.00 0.00 C ATOM 0 H ALA B 29 -7.753 0.556 6.900 1.00 0.00 H new ATOM 0 HA ALA B 29 -8.323 -2.239 6.673 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -10.659 -1.300 6.447 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -9.754 -0.418 7.700 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -9.969 0.301 6.086 1.00 0.00 H new ATOM 1393 N PHE B 30 -8.673 -0.665 3.771 1.00 0.00 N ATOM 1394 CA PHE B 30 -8.749 -1.048 2.313 1.00 0.00 C ATOM 1395 C PHE B 30 -7.363 -1.429 1.767 1.00 0.00 C ATOM 1396 O PHE B 30 -7.292 -2.216 0.859 1.00 0.00 O ATOM 1397 CB PHE B 30 -9.363 0.068 1.413 1.00 0.00 C ATOM 1398 CG PHE B 30 -9.843 1.313 2.116 1.00 0.00 C ATOM 1399 CD1 PHE B 30 -8.922 2.265 2.515 1.00 0.00 C ATOM 1400 CD2 PHE B 30 -11.215 1.553 2.273 1.00 0.00 C ATOM 1401 CE1 PHE B 30 -9.359 3.462 3.076 1.00 0.00 C ATOM 1402 CE2 PHE B 30 -11.649 2.742 2.847 1.00 0.00 C ATOM 1403 CZ PHE B 30 -10.721 3.703 3.245 1.00 0.00 C ATOM 0 H PHE B 30 -8.678 0.334 3.975 1.00 0.00 H new ATOM 0 HA PHE B 30 -9.415 -1.910 2.273 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -8.616 0.360 0.675 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -10.203 -0.359 0.865 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -7.865 2.080 2.391 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -11.934 0.815 1.948 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -8.639 4.207 3.382 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -12.705 2.921 2.985 1.00 0.00 H new ATOM 0 HZ PHE B 30 -11.057 4.631 3.683 1.00 0.00 H new ATOM 1413 N ILE B 31 -6.262 -0.899 2.288 1.00 0.00 N ATOM 1414 CA ILE B 31 -4.918 -1.310 1.729 1.00 0.00 C ATOM 1415 C ILE B 31 -4.663 -2.795 1.994 1.00 0.00 C ATOM 1416 O ILE B 31 -4.280 -3.524 1.101 1.00 0.00 O ATOM 1417 CB ILE B 31 -3.837 -0.452 2.398 1.00 0.00 C ATOM 1418 CG1 ILE B 31 -3.799 0.903 1.656 1.00 0.00 C ATOM 1419 CG2 ILE B 31 -2.456 -1.170 2.306 1.00 0.00 C ATOM 1420 CD1 ILE B 31 -2.385 1.261 1.274 1.00 0.00 C ATOM 0 H ILE B 31 -6.236 -0.222 3.051 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.899 -1.156 0.650 1.00 0.00 H new ATOM 0 HB ILE B 31 -4.059 -0.297 3.454 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -4.421 0.852 0.762 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -4.218 1.683 2.291 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -1.693 -0.555 2.783 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -2.513 -2.134 2.811 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -2.195 -1.324 1.259 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -2.380 2.218 0.753 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.773 1.334 2.173 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.978 0.490 0.620 1.00 0.00 H new ATOM 1432 N PHE B 32 -4.862 -3.236 3.216 1.00 0.00 N ATOM 1433 CA PHE B 32 -4.624 -4.674 3.542 1.00 0.00 C ATOM 1434 C PHE B 32 -5.566 -5.560 2.692 1.00 0.00 C ATOM 1435 O PHE B 32 -5.144 -6.584 2.186 1.00 0.00 O ATOM 1436 CB PHE B 32 -4.838 -4.793 5.066 1.00 0.00 C ATOM 1437 CG PHE B 32 -3.547 -4.410 5.789 1.00 0.00 C ATOM 1438 CD1 PHE B 32 -2.950 -3.114 5.637 1.00 0.00 C ATOM 1439 CD2 PHE B 32 -2.892 -5.372 6.594 1.00 0.00 C ATOM 1440 CE1 PHE B 32 -1.762 -2.834 6.283 1.00 0.00 C ATOM 1441 CE2 PHE B 32 -1.698 -5.061 7.211 1.00 0.00 C ATOM 1442 CZ PHE B 32 -1.140 -3.804 7.063 1.00 0.00 C ATOM 0 H PHE B 32 -5.178 -2.661 3.997 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.620 -5.021 3.299 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -5.653 -4.141 5.382 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -5.125 -5.812 5.326 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -3.426 -2.364 5.023 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -3.328 -6.351 6.726 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -1.313 -1.857 6.182 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.196 -5.804 7.813 1.00 0.00 H new ATOM 0 HZ PHE B 32 -0.209 -3.572 7.559 1.00 0.00 H new ATOM 1452 N SER B 33 -6.805 -5.130 2.452 1.00 0.00 N ATOM 1453 CA SER B 33 -7.718 -5.922 1.545 1.00 0.00 C ATOM 1454 C SER B 33 -7.279 -5.719 0.067 1.00 0.00 C ATOM 1455 O SER B 33 -7.347 -6.636 -0.727 1.00 0.00 O ATOM 1456 CB SER B 33 -9.145 -5.407 1.794 1.00 0.00 C ATOM 1457 OG SER B 33 -9.254 -4.049 1.405 1.00 0.00 O ATOM 0 H SER B 33 -7.211 -4.279 2.841 1.00 0.00 H new ATOM 0 HA SER B 33 -7.673 -6.992 1.748 1.00 0.00 H new ATOM 0 HB2 SER B 33 -9.859 -6.011 1.234 1.00 0.00 H new ATOM 0 HB3 SER B 33 -9.397 -5.511 2.849 1.00 0.00 H new ATOM 0 HG SER B 33 -8.362 -3.643 1.381 1.00 0.00 H new ATOM 1463 N LEU B 34 -6.773 -4.530 -0.276 1.00 0.00 N ATOM 1464 CA LEU B 34 -6.248 -4.249 -1.669 1.00 0.00 C ATOM 1465 C LEU B 34 -5.089 -5.211 -1.941 1.00 0.00 C ATOM 1466 O LEU B 34 -4.951 -5.743 -3.027 1.00 0.00 O ATOM 1467 CB LEU B 34 -5.747 -2.777 -1.634 1.00 0.00 C ATOM 1468 CG LEU B 34 -5.180 -2.327 -2.988 1.00 0.00 C ATOM 1469 CD1 LEU B 34 -6.307 -1.828 -3.899 1.00 0.00 C ATOM 1470 CD2 LEU B 34 -4.165 -1.189 -2.770 1.00 0.00 C ATOM 0 H LEU B 34 -6.704 -3.738 0.364 1.00 0.00 H new ATOM 0 HA LEU B 34 -6.997 -4.384 -2.450 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.570 -2.121 -1.350 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -4.979 -2.674 -0.868 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.689 -3.177 -3.461 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.889 -1.512 -4.855 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -7.024 -2.632 -4.064 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -6.810 -0.984 -3.427 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.763 -0.871 -3.732 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.661 -0.347 -2.287 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.352 -1.543 -2.137 1.00 0.00 H new ATOM 1482 N TRP B 35 -4.272 -5.443 -0.931 1.00 0.00 N ATOM 1483 CA TRP B 35 -3.129 -6.382 -1.065 1.00 0.00 C ATOM 1484 C TRP B 35 -3.615 -7.835 -1.277 1.00 0.00 C ATOM 1485 O TRP B 35 -3.110 -8.534 -2.138 1.00 0.00 O ATOM 1486 CB TRP B 35 -2.363 -6.290 0.250 1.00 0.00 C ATOM 1487 CG TRP B 35 -1.132 -7.085 0.064 1.00 0.00 C ATOM 1488 CD1 TRP B 35 -0.879 -8.283 0.621 1.00 0.00 C ATOM 1489 CD2 TRP B 35 -0.018 -6.783 -0.799 1.00 0.00 C ATOM 1490 NE1 TRP B 35 0.333 -8.728 0.157 1.00 0.00 N ATOM 1491 CE2 TRP B 35 0.910 -7.830 -0.711 1.00 0.00 C ATOM 1492 CE3 TRP B 35 0.277 -5.701 -1.633 1.00 0.00 C ATOM 1493 CZ2 TRP B 35 2.093 -7.806 -1.425 1.00 0.00 C ATOM 1494 CZ3 TRP B 35 1.468 -5.672 -2.353 1.00 0.00 C ATOM 1495 CH2 TRP B 35 2.370 -6.717 -2.249 1.00 0.00 C ATOM 0 H TRP B 35 -4.360 -5.010 -0.012 1.00 0.00 H new ATOM 0 HA TRP B 35 -2.515 -6.121 -1.927 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -2.125 -5.254 0.491 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -2.958 -6.680 1.076 1.00 0.00 H new ATOM 0 HD1 TRP B 35 -1.521 -8.805 1.315 1.00 0.00 H new ATOM 0 HE1 TRP B 35 0.755 -9.617 0.423 1.00 0.00 H new ATOM 0 HE3 TRP B 35 -0.423 -4.883 -1.719 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 2.795 -8.623 -1.345 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 1.689 -4.832 -2.995 1.00 0.00 H new ATOM 0 HH2 TRP B 35 3.293 -6.688 -2.809 1.00 0.00 H new ATOM 1506 N ASP B 36 -4.575 -8.288 -0.482 1.00 0.00 N ATOM 1507 CA ASP B 36 -5.084 -9.696 -0.614 1.00 0.00 C ATOM 1508 C ASP B 36 -5.871 -9.869 -1.908 1.00 0.00 C ATOM 1509 O ASP B 36 -5.677 -10.837 -2.622 1.00 0.00 O ATOM 1510 CB ASP B 36 -6.004 -9.941 0.601 1.00 0.00 C ATOM 1511 CG ASP B 36 -5.196 -9.992 1.910 1.00 0.00 C ATOM 1512 OD1 ASP B 36 -4.182 -10.681 1.949 1.00 0.00 O ATOM 1513 OD2 ASP B 36 -5.618 -9.360 2.863 1.00 0.00 O ATOM 0 H ASP B 36 -5.024 -7.738 0.250 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.257 -10.406 -0.642 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -6.750 -9.148 0.662 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -6.545 -10.878 0.468 1.00 0.00 H new ATOM 1518 N ASP B 37 -6.758 -8.940 -2.214 1.00 0.00 N ATOM 1519 CA ASP B 37 -7.558 -9.057 -3.460 1.00 0.00 C ATOM 1520 C ASP B 37 -7.581 -7.725 -4.230 1.00 0.00 C ATOM 1521 O ASP B 37 -8.570 -7.006 -4.191 1.00 0.00 O ATOM 1522 CB ASP B 37 -8.981 -9.478 -3.025 1.00 0.00 C ATOM 1523 CG ASP B 37 -8.931 -10.778 -2.209 1.00 0.00 C ATOM 1524 OD1 ASP B 37 -8.812 -11.830 -2.815 1.00 0.00 O ATOM 1525 OD2 ASP B 37 -9.012 -10.695 -0.995 1.00 0.00 O ATOM 0 H ASP B 37 -6.953 -8.113 -1.649 1.00 0.00 H new ATOM 0 HA ASP B 37 -7.124 -9.792 -4.138 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -9.435 -8.686 -2.430 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -9.610 -9.617 -3.904 1.00 0.00 H new ATOM 1530 N PRO B 38 -6.500 -7.450 -4.951 1.00 0.00 N ATOM 1531 CA PRO B 38 -6.433 -6.214 -5.786 1.00 0.00 C ATOM 1532 C PRO B 38 -7.434 -6.265 -6.964 1.00 0.00 C ATOM 1533 O PRO B 38 -7.580 -5.291 -7.673 1.00 0.00 O ATOM 1534 CB PRO B 38 -5.002 -6.184 -6.283 1.00 0.00 C ATOM 1535 CG PRO B 38 -4.560 -7.610 -6.236 1.00 0.00 C ATOM 1536 CD PRO B 38 -5.253 -8.226 -5.054 1.00 0.00 C ATOM 0 HA PRO B 38 -6.701 -5.320 -5.222 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -4.942 -5.783 -7.295 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -4.376 -5.553 -5.652 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -4.825 -8.130 -7.157 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -3.477 -7.678 -6.131 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -5.451 -9.286 -5.211 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -4.652 -8.145 -4.148 1.00 0.00 H new ATOM 1544 N SER B 39 -8.155 -7.369 -7.158 1.00 0.00 N ATOM 1545 CA SER B 39 -9.188 -7.420 -8.254 1.00 0.00 C ATOM 1546 C SER B 39 -10.230 -6.320 -7.969 1.00 0.00 C ATOM 1547 O SER B 39 -10.742 -5.685 -8.874 1.00 0.00 O ATOM 1548 CB SER B 39 -9.831 -8.808 -8.160 1.00 0.00 C ATOM 1549 OG SER B 39 -10.037 -9.321 -9.470 1.00 0.00 O ATOM 0 H SER B 39 -8.068 -8.223 -6.607 1.00 0.00 H new ATOM 0 HA SER B 39 -8.770 -7.258 -9.247 1.00 0.00 H new ATOM 0 HB2 SER B 39 -9.190 -9.481 -7.591 1.00 0.00 H new ATOM 0 HB3 SER B 39 -10.780 -8.746 -7.628 1.00 0.00 H new ATOM 0 HG SER B 39 -10.447 -10.209 -9.413 1.00 0.00 H new ATOM 1555 N GLN B 40 -10.488 -6.067 -6.690 1.00 0.00 N ATOM 1556 CA GLN B 40 -11.438 -4.976 -6.275 1.00 0.00 C ATOM 1557 C GLN B 40 -10.664 -3.638 -6.114 1.00 0.00 C ATOM 1558 O GLN B 40 -11.138 -2.747 -5.449 1.00 0.00 O ATOM 1559 CB GLN B 40 -12.014 -5.376 -4.889 1.00 0.00 C ATOM 1560 CG GLN B 40 -12.319 -6.881 -4.769 1.00 0.00 C ATOM 1561 CD GLN B 40 -13.187 -7.375 -5.935 1.00 0.00 C ATOM 1562 OE1 GLN B 40 -14.125 -6.720 -6.343 1.00 0.00 O ATOM 1563 NE2 GLN B 40 -12.912 -8.530 -6.481 1.00 0.00 N ATOM 0 H GLN B 40 -10.072 -6.581 -5.913 1.00 0.00 H new ATOM 0 HA GLN B 40 -12.223 -4.850 -7.021 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -11.304 -5.093 -4.112 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -12.928 -4.811 -4.706 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.385 -7.442 -4.747 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -12.830 -7.076 -3.826 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -12.125 -9.081 -6.139 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -13.485 -8.880 -7.249 1.00 0.00 H new ATOM 1572 N SER B 41 -9.472 -3.508 -6.689 1.00 0.00 N ATOM 1573 CA SER B 41 -8.648 -2.249 -6.542 1.00 0.00 C ATOM 1574 C SER B 41 -9.438 -0.996 -6.956 1.00 0.00 C ATOM 1575 O SER B 41 -9.391 0.002 -6.266 1.00 0.00 O ATOM 1576 CB SER B 41 -7.458 -2.462 -7.460 1.00 0.00 C ATOM 1577 OG SER B 41 -6.685 -1.276 -7.557 1.00 0.00 O ATOM 0 H SER B 41 -9.035 -4.232 -7.259 1.00 0.00 H new ATOM 0 HA SER B 41 -8.355 -2.080 -5.506 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.840 -3.276 -7.081 1.00 0.00 H new ATOM 0 HB3 SER B 41 -7.804 -2.759 -8.450 1.00 0.00 H new ATOM 0 HG SER B 41 -6.253 -1.238 -8.436 1.00 0.00 H new ATOM 1583 N ALA B 42 -10.183 -1.053 -8.050 1.00 0.00 N ATOM 1584 CA ALA B 42 -11.008 0.137 -8.463 1.00 0.00 C ATOM 1585 C ALA B 42 -12.063 0.391 -7.373 1.00 0.00 C ATOM 1586 O ALA B 42 -12.261 1.514 -6.947 1.00 0.00 O ATOM 1587 CB ALA B 42 -11.673 -0.249 -9.791 1.00 0.00 C ATOM 0 H ALA B 42 -10.252 -1.864 -8.665 1.00 0.00 H new ATOM 0 HA ALA B 42 -10.417 1.044 -8.585 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -12.289 0.579 -10.144 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -10.905 -0.471 -10.532 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -12.299 -1.129 -9.642 1.00 0.00 H new ATOM 1593 N ASN B 43 -12.690 -0.671 -6.886 1.00 0.00 N ATOM 1594 CA ASN B 43 -13.687 -0.546 -5.781 1.00 0.00 C ATOM 1595 C ASN B 43 -12.988 -0.062 -4.492 1.00 0.00 C ATOM 1596 O ASN B 43 -13.574 0.660 -3.717 1.00 0.00 O ATOM 1597 CB ASN B 43 -14.274 -1.953 -5.586 1.00 0.00 C ATOM 1598 CG ASN B 43 -15.446 -1.897 -4.598 1.00 0.00 C ATOM 1599 OD1 ASN B 43 -15.303 -2.273 -3.451 1.00 0.00 O ATOM 1600 ND2 ASN B 43 -16.605 -1.438 -4.991 1.00 0.00 N ATOM 0 H ASN B 43 -12.543 -1.624 -7.219 1.00 0.00 H new ATOM 0 HA ASN B 43 -14.467 0.178 -6.015 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -14.612 -2.351 -6.543 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -13.505 -2.629 -5.213 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -17.386 -1.396 -4.336 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -16.729 -1.122 -5.953 1.00 0.00 H new ATOM 1607 N LEU B 44 -11.737 -0.457 -4.270 1.00 0.00 N ATOM 1608 CA LEU B 44 -10.980 -0.019 -3.042 1.00 0.00 C ATOM 1609 C LEU B 44 -10.610 1.455 -3.147 1.00 0.00 C ATOM 1610 O LEU B 44 -10.822 2.228 -2.237 1.00 0.00 O ATOM 1611 CB LEU B 44 -9.727 -0.887 -3.035 1.00 0.00 C ATOM 1612 CG LEU B 44 -10.038 -2.194 -2.326 1.00 0.00 C ATOM 1613 CD1 LEU B 44 -9.258 -3.340 -2.977 1.00 0.00 C ATOM 1614 CD2 LEU B 44 -9.646 -2.038 -0.858 1.00 0.00 C ATOM 0 H LEU B 44 -11.211 -1.068 -4.895 1.00 0.00 H new ATOM 0 HA LEU B 44 -11.565 -0.131 -2.129 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.397 -1.081 -4.056 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -8.912 -0.369 -2.530 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.100 -2.428 -2.402 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -9.486 -4.274 -2.463 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.543 -3.424 -4.026 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.189 -3.139 -2.906 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -9.859 -2.964 -0.324 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.581 -1.815 -0.787 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -10.217 -1.223 -0.413 1.00 0.00 H new ATOM 1626 N LEU B 45 -10.089 1.824 -4.285 1.00 0.00 N ATOM 1627 CA LEU B 45 -9.713 3.245 -4.580 1.00 0.00 C ATOM 1628 C LEU B 45 -10.969 4.117 -4.404 1.00 0.00 C ATOM 1629 O LEU B 45 -10.924 5.177 -3.801 1.00 0.00 O ATOM 1630 CB LEU B 45 -9.245 3.195 -6.056 1.00 0.00 C ATOM 1631 CG LEU B 45 -8.550 4.486 -6.510 1.00 0.00 C ATOM 1632 CD1 LEU B 45 -9.592 5.467 -7.043 1.00 0.00 C ATOM 1633 CD2 LEU B 45 -7.761 5.119 -5.360 1.00 0.00 C ATOM 0 H LEU B 45 -9.900 1.179 -5.052 1.00 0.00 H new ATOM 0 HA LEU B 45 -8.942 3.662 -3.933 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -8.561 2.356 -6.186 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -10.106 3.007 -6.698 1.00 0.00 H new ATOM 0 HG LEU B 45 -7.844 4.242 -7.304 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -9.098 6.383 -7.365 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -10.114 5.020 -7.889 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -10.309 5.699 -6.256 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -7.279 6.032 -5.709 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -8.440 5.357 -4.541 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -7.002 4.419 -5.010 1.00 0.00 H new ATOM 1645 N ALA B 46 -12.101 3.623 -4.884 1.00 0.00 N ATOM 1646 CA ALA B 46 -13.401 4.340 -4.714 1.00 0.00 C ATOM 1647 C ALA B 46 -13.807 4.296 -3.237 1.00 0.00 C ATOM 1648 O ALA B 46 -14.150 5.304 -2.667 1.00 0.00 O ATOM 1649 CB ALA B 46 -14.401 3.548 -5.556 1.00 0.00 C ATOM 0 H ALA B 46 -12.168 2.741 -5.392 1.00 0.00 H new ATOM 0 HA ALA B 46 -13.351 5.385 -5.019 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -15.385 4.012 -5.484 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -14.077 3.543 -6.597 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -14.455 2.523 -5.188 1.00 0.00 H new ATOM 1655 N GLU B 47 -13.738 3.122 -2.614 1.00 0.00 N ATOM 1656 CA GLU B 47 -14.094 2.979 -1.162 1.00 0.00 C ATOM 1657 C GLU B 47 -13.253 3.933 -0.311 1.00 0.00 C ATOM 1658 O GLU B 47 -13.726 4.474 0.665 1.00 0.00 O ATOM 1659 CB GLU B 47 -13.774 1.516 -0.789 1.00 0.00 C ATOM 1660 CG GLU B 47 -14.334 1.199 0.610 1.00 0.00 C ATOM 1661 CD GLU B 47 -15.849 1.460 0.650 1.00 0.00 C ATOM 1662 OE1 GLU B 47 -16.582 0.726 0.003 1.00 0.00 O ATOM 1663 OE2 GLU B 47 -16.247 2.404 1.316 1.00 0.00 O ATOM 0 H GLU B 47 -13.446 2.254 -3.064 1.00 0.00 H new ATOM 0 HA GLU B 47 -15.142 3.221 -0.984 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -14.208 0.840 -1.526 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -12.696 1.355 -0.804 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -14.131 0.159 0.863 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -13.832 1.813 1.358 1.00 0.00 H new ATOM 1670 N ALA B 48 -12.017 4.148 -0.703 1.00 0.00 N ATOM 1671 CA ALA B 48 -11.118 5.079 0.040 1.00 0.00 C ATOM 1672 C ALA B 48 -11.670 6.507 -0.069 1.00 0.00 C ATOM 1673 O ALA B 48 -11.912 7.158 0.931 1.00 0.00 O ATOM 1674 CB ALA B 48 -9.746 4.955 -0.652 1.00 0.00 C ATOM 0 H ALA B 48 -11.591 3.709 -1.519 1.00 0.00 H new ATOM 0 HA ALA B 48 -11.043 4.843 1.102 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.029 5.613 -0.160 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -9.397 3.924 -0.586 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -9.840 5.240 -1.700 1.00 0.00 H new ATOM 1680 N LYS B 49 -11.897 6.976 -1.284 1.00 0.00 N ATOM 1681 CA LYS B 49 -12.455 8.361 -1.497 1.00 0.00 C ATOM 1682 C LYS B 49 -13.881 8.479 -0.918 1.00 0.00 C ATOM 1683 O LYS B 49 -14.198 9.440 -0.247 1.00 0.00 O ATOM 1684 CB LYS B 49 -12.466 8.561 -3.022 1.00 0.00 C ATOM 1685 CG LYS B 49 -11.022 8.513 -3.554 1.00 0.00 C ATOM 1686 CD LYS B 49 -11.009 8.758 -5.066 1.00 0.00 C ATOM 1687 CE LYS B 49 -9.662 8.301 -5.655 1.00 0.00 C ATOM 1688 NZ LYS B 49 -8.667 9.360 -5.300 1.00 0.00 N ATOM 0 H LYS B 49 -11.718 6.454 -2.142 1.00 0.00 H new ATOM 0 HA LYS B 49 -11.857 9.119 -0.991 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -13.066 7.785 -3.497 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -12.926 9.517 -3.271 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -10.416 9.266 -3.051 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.576 7.544 -3.331 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -11.827 8.214 -5.539 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -11.167 9.816 -5.274 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -9.366 7.336 -5.244 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -9.732 8.180 -6.736 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -7.785 9.199 -5.827 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -9.052 10.294 -5.546 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -8.471 9.324 -4.279 1.00 0.00 H new ATOM 1702 N LYS B 50 -14.729 7.494 -1.157 1.00 0.00 N ATOM 1703 CA LYS B 50 -16.134 7.525 -0.605 1.00 0.00 C ATOM 1704 C LYS B 50 -16.103 7.516 0.933 1.00 0.00 C ATOM 1705 O LYS B 50 -16.854 8.233 1.571 1.00 0.00 O ATOM 1706 CB LYS B 50 -16.832 6.262 -1.133 1.00 0.00 C ATOM 1707 CG LYS B 50 -17.008 6.360 -2.657 1.00 0.00 C ATOM 1708 CD LYS B 50 -17.826 5.168 -3.178 1.00 0.00 C ATOM 1709 CE LYS B 50 -17.089 3.843 -2.901 1.00 0.00 C ATOM 1710 NZ LYS B 50 -17.907 3.122 -1.877 1.00 0.00 N ATOM 0 H LYS B 50 -14.507 6.668 -1.712 1.00 0.00 H new ATOM 0 HA LYS B 50 -16.662 8.427 -0.914 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -16.244 5.379 -0.882 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -17.803 6.145 -0.653 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -17.510 7.293 -2.913 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -16.032 6.380 -3.142 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -18.804 5.154 -2.698 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -17.998 5.278 -4.249 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -16.994 3.252 -3.812 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -16.079 4.028 -2.534 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -17.319 2.407 -1.404 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -18.259 3.802 -1.173 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -18.712 2.656 -2.341 1.00 0.00 H new ATOM 1724 N LEU B 51 -15.217 6.731 1.526 1.00 0.00 N ATOM 1725 CA LEU B 51 -15.102 6.697 3.023 1.00 0.00 C ATOM 1726 C LEU B 51 -14.602 8.068 3.531 1.00 0.00 C ATOM 1727 O LEU B 51 -15.059 8.549 4.555 1.00 0.00 O ATOM 1728 CB LEU B 51 -14.130 5.541 3.339 1.00 0.00 C ATOM 1729 CG LEU B 51 -14.045 5.264 4.856 1.00 0.00 C ATOM 1730 CD1 LEU B 51 -15.432 5.370 5.514 1.00 0.00 C ATOM 1731 CD2 LEU B 51 -13.510 3.842 5.076 1.00 0.00 C ATOM 0 H LEU B 51 -14.571 6.115 1.032 1.00 0.00 H new ATOM 0 HA LEU B 51 -16.053 6.523 3.526 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -14.457 4.639 2.822 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -13.138 5.785 2.958 1.00 0.00 H new ATOM 0 HG LEU B 51 -13.382 6.004 5.305 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -15.344 5.171 6.582 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -15.830 6.373 5.364 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -16.105 4.641 5.063 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -13.447 3.638 6.145 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -14.184 3.124 4.609 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -12.519 3.753 4.631 1.00 0.00 H new ATOM 1743 N ASN B 52 -13.713 8.723 2.789 1.00 0.00 N ATOM 1744 CA ASN B 52 -13.238 10.098 3.181 1.00 0.00 C ATOM 1745 C ASN B 52 -14.436 11.052 3.205 1.00 0.00 C ATOM 1746 O ASN B 52 -14.507 11.937 4.034 1.00 0.00 O ATOM 1747 CB ASN B 52 -12.170 10.478 2.108 1.00 0.00 C ATOM 1748 CG ASN B 52 -12.613 11.503 1.010 1.00 0.00 C ATOM 1749 OD1 ASN B 52 -13.461 12.350 1.190 1.00 0.00 O ATOM 1750 ND2 ASN B 52 -12.012 11.488 -0.140 1.00 0.00 N ATOM 0 H ASN B 52 -13.301 8.358 1.930 1.00 0.00 H new ATOM 0 HA ASN B 52 -12.797 10.147 4.176 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -11.300 10.885 2.623 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -11.847 9.564 1.610 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -12.259 12.174 -0.854 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -11.292 10.791 -0.330 1.00 0.00 H new ATOM 1757 N ASP B 53 -15.371 10.868 2.280 1.00 0.00 N ATOM 1758 CA ASP B 53 -16.569 11.753 2.207 1.00 0.00 C ATOM 1759 C ASP B 53 -17.422 11.622 3.484 1.00 0.00 C ATOM 1760 O ASP B 53 -18.040 12.579 3.919 1.00 0.00 O ATOM 1761 CB ASP B 53 -17.365 11.276 0.987 1.00 0.00 C ATOM 1762 CG ASP B 53 -18.392 12.342 0.588 1.00 0.00 C ATOM 1763 OD1 ASP B 53 -18.030 13.242 -0.154 1.00 0.00 O ATOM 1764 OD2 ASP B 53 -19.525 12.240 1.029 1.00 0.00 O ATOM 0 H ASP B 53 -15.342 10.133 1.574 1.00 0.00 H new ATOM 0 HA ASP B 53 -16.284 12.801 2.121 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -16.689 11.079 0.155 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -17.871 10.338 1.215 1.00 0.00 H new ATOM 1769 N ALA B 54 -17.450 10.440 4.083 1.00 0.00 N ATOM 1770 CA ALA B 54 -18.251 10.226 5.335 1.00 0.00 C ATOM 1771 C ALA B 54 -17.628 11.005 6.505 1.00 0.00 C ATOM 1772 O ALA B 54 -18.331 11.579 7.319 1.00 0.00 O ATOM 1773 CB ALA B 54 -18.189 8.715 5.586 1.00 0.00 C ATOM 0 H ALA B 54 -16.948 9.616 3.752 1.00 0.00 H new ATOM 0 HA ALA B 54 -19.278 10.579 5.240 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -18.752 8.472 6.487 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -18.620 8.187 4.736 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -17.150 8.410 5.714 1.00 0.00 H new ATOM 1779 N GLN B 55 -16.311 11.042 6.571 1.00 0.00 N ATOM 1780 CA GLN B 55 -15.600 11.795 7.653 1.00 0.00 C ATOM 1781 C GLN B 55 -15.562 13.299 7.324 1.00 0.00 C ATOM 1782 O GLN B 55 -15.604 14.132 8.213 1.00 0.00 O ATOM 1783 CB GLN B 55 -14.187 11.192 7.664 1.00 0.00 C ATOM 1784 CG GLN B 55 -14.235 9.782 8.267 1.00 0.00 C ATOM 1785 CD GLN B 55 -12.876 9.108 8.083 1.00 0.00 C ATOM 1786 OE1 GLN B 55 -12.273 8.648 9.032 1.00 0.00 O ATOM 1787 NE2 GLN B 55 -12.365 9.032 6.889 1.00 0.00 N ATOM 0 H GLN B 55 -15.694 10.573 5.908 1.00 0.00 H new ATOM 0 HA GLN B 55 -16.090 11.710 8.623 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -13.790 11.152 6.650 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -13.515 11.824 8.244 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -14.487 9.835 9.326 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -15.014 9.193 7.783 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -12.871 9.418 6.092 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -11.458 8.586 6.750 1.00 0.00 H new ATOM 1796 N ALA B 56 -15.467 13.641 6.049 1.00 0.00 N ATOM 1797 CA ALA B 56 -15.404 15.077 5.626 1.00 0.00 C ATOM 1798 C ALA B 56 -15.938 15.244 4.189 1.00 0.00 C ATOM 1799 O ALA B 56 -15.825 14.334 3.398 1.00 0.00 O ATOM 1800 CB ALA B 56 -13.916 15.398 5.665 1.00 0.00 C ATOM 0 H ALA B 56 -15.431 12.972 5.280 1.00 0.00 H new ATOM 0 HA ALA B 56 -16.004 15.728 6.262 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -13.760 16.435 5.369 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -13.538 15.248 6.676 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -13.384 14.741 4.977 1.00 0.00 H new ATOM 1806 N PRO B 57 -16.485 16.407 3.883 1.00 0.00 N ATOM 1807 CA PRO B 57 -17.014 16.662 2.511 1.00 0.00 C ATOM 1808 C PRO B 57 -15.856 16.829 1.510 1.00 0.00 C ATOM 1809 O PRO B 57 -14.832 17.416 1.832 1.00 0.00 O ATOM 1810 CB PRO B 57 -17.800 17.961 2.660 1.00 0.00 C ATOM 1811 CG PRO B 57 -17.178 18.650 3.830 1.00 0.00 C ATOM 1812 CD PRO B 57 -16.655 17.580 4.754 1.00 0.00 C ATOM 0 HA PRO B 57 -17.627 15.844 2.131 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -17.731 18.571 1.759 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -18.858 17.766 2.833 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -16.370 19.306 3.505 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -17.910 19.275 4.341 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -15.712 17.876 5.213 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -17.354 17.377 5.565 1.00 0.00 H new ATOM 1820 N LYS B 58 -16.014 16.326 0.307 1.00 0.00 N ATOM 1821 CA LYS B 58 -14.924 16.454 -0.728 1.00 0.00 C ATOM 1822 C LYS B 58 -14.870 17.891 -1.280 1.00 0.00 C ATOM 1823 O LYS B 58 -13.792 18.462 -1.270 1.00 0.00 O ATOM 1824 CB LYS B 58 -15.274 15.458 -1.847 1.00 0.00 C ATOM 1825 CG LYS B 58 -15.069 14.018 -1.364 1.00 0.00 C ATOM 1826 CD LYS B 58 -15.336 13.054 -2.526 1.00 0.00 C ATOM 1827 CE LYS B 58 -15.376 11.607 -2.011 1.00 0.00 C ATOM 1828 NZ LYS B 58 -16.752 11.108 -2.319 1.00 0.00 N ATOM 1829 OXT LYS B 58 -15.903 18.399 -1.697 1.00 0.00 O ATOM 0 H LYS B 58 -16.849 15.832 -0.007 1.00 0.00 H new ATOM 0 HA LYS B 58 -13.945 16.239 -0.300 1.00 0.00 H new ATOM 0 HB2 LYS B 58 -16.309 15.600 -2.158 1.00 0.00 H new ATOM 0 HB3 LYS B 58 -14.650 15.648 -2.720 1.00 0.00 H new ATOM 0 HG2 LYS B 58 -14.052 13.887 -0.994 1.00 0.00 H new ATOM 0 HG3 LYS B 58 -15.741 13.801 -0.534 1.00 0.00 H new ATOM 0 HD2 LYS B 58 -16.282 13.304 -3.006 1.00 0.00 H new ATOM 0 HD3 LYS B 58 -14.557 13.158 -3.282 1.00 0.00 H new ATOM 0 HE2 LYS B 58 -14.618 10.995 -2.501 1.00 0.00 H new ATOM 0 HE3 LYS B 58 -15.175 11.566 -0.941 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 -16.810 10.092 -2.102 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 -17.446 11.625 -1.742 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 -16.959 11.259 -3.327 1.00 0.00 H new TER 1843 LYS B 58