USER MOD reduce.3.24.130724 H: found=0, std=0, add=950, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 945 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 TYR OH : rot 180:sc= 0.706 USER MOD Set 1.2: A 39 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 102 SER OG : rot -99:sc= 2.08 USER MOD Set 2.1: A 99 TYR OH : rot 30:sc= 0.86 USER MOD Set 2.2: A 114 THR OG1 : rot 147:sc= 1.96 USER MOD Set 3.1: A 85 TYR OH : rot -54:sc= 1.34 USER MOD Set 3.2: A 93 TYR OH : rot 165:sc= 1.05 USER MOD Set 4.1: A 46 LYS NZ :NH3+ -123:sc= -0.358 (180deg=0) USER MOD Set 4.2: A 48 ASN : amide:sc= -2.72 K(o=-3.1,f=-5.3!) USER MOD Set 5.1: A 40 GLN :FLIP amide:sc= -0.0404 F(o=-1.6,f=0.16) USER MOD Set 5.2: A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.3: A 73 THR OG1 : rot 138:sc= 0.203 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.0612 X(o=-0.061,f=-0.063) USER MOD Single : A 13 LYS NZ :NH3+ -138:sc= -0.281 (180deg=-2.07!) USER MOD Single : A 27 ASN : amide:sc= -0.0287 K(o=-0.029,f=-3!) USER MOD Single : A 36 TYR OH : rot -147:sc= 1.25 USER MOD Single : A 38 MET CE :methyl -158:sc= -2.51! (180deg=-3.8) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.039) USER MOD Single : A 57 SER OG : rot -61:sc= 0.872 USER MOD Single : A 59 SER OG : rot -40:sc= 0.437 USER MOD Single : A 64 LYS NZ :NH3+ 165:sc= -0.0906 (180deg=-0.438) USER MOD Single : A 72 GLN : amide:sc= -0.0169 K(o=-0.017,f=-0.67) USER MOD Single : A 75 TYR OH : rot -159:sc= 0.0165 USER MOD Single : A 76 HIS : no HE2:sc= -1.21 X(o=-1.2,f=-0.77) USER MOD Single : A 77 HIS : no HD1:sc= -0.785 X(o=-0.79,f=-0.91) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -2.11 K(o=-2.1,f=-7!) USER MOD Single : A 108 CYS SG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 ASN : amide:sc= -0.0661 K(o=-0.066,f=-0.77) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 50:sc= -1.28 USER MOD Single : A 125 HIS : no HD1:sc= -0.313 X(o=-0.31,f=-0.76) USER MOD Single : A 127 GLN : amide:sc= -0.0526 K(o=-0.053,f=-1.3) USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.958 -2.501 -2.484 1.00 61.30 N ATOM 2 CA MET A 1 1.139 -2.132 -1.335 1.00 64.11 C ATOM 3 C MET A 1 1.829 -1.059 -0.498 1.00 61.33 C ATOM 4 O MET A 1 3.002 -1.190 -0.149 1.00 33.34 O ATOM 5 CB MET A 1 0.850 -3.362 -0.472 1.00 4.54 C ATOM 6 CG MET A 1 -0.614 -3.770 -0.466 1.00 42.14 C ATOM 7 SD MET A 1 -0.847 -5.525 -0.809 1.00 44.21 S ATOM 8 CE MET A 1 -2.444 -5.502 -1.620 1.00 23.44 C ATOM 0 H1 MET A 1 1.469 -3.232 -3.039 1.00 61.30 H new ATOM 0 H2 MET A 1 2.118 -1.664 -3.080 1.00 61.30 H new ATOM 0 H3 MET A 1 2.872 -2.871 -2.154 1.00 61.30 H new ATOM 0 HA MET A 1 0.197 -1.728 -1.706 1.00 64.11 H new ATOM 0 HB2 MET A 1 1.450 -4.198 -0.832 1.00 4.54 H new ATOM 0 HB3 MET A 1 1.167 -3.160 0.551 1.00 4.54 H new ATOM 0 HG2 MET A 1 -1.049 -3.532 0.505 1.00 42.14 H new ATOM 0 HG3 MET A 1 -1.154 -3.184 -1.210 1.00 42.14 H new ATOM 0 HE1 MET A 1 -2.727 -6.518 -1.894 1.00 23.44 H new ATOM 0 HE2 MET A 1 -3.190 -5.088 -0.942 1.00 23.44 H new ATOM 0 HE3 MET A 1 -2.387 -4.886 -2.518 1.00 23.44 H new ATOM 18 N ALA A 2 1.094 0.001 -0.181 1.00 54.20 N ATOM 19 CA ALA A 2 1.635 1.095 0.616 1.00 55.21 C ATOM 20 C ALA A 2 0.518 1.909 1.261 1.00 53.25 C ATOM 21 O ALA A 2 -0.596 1.976 0.739 1.00 33.23 O ATOM 22 CB ALA A 2 2.514 1.991 -0.245 1.00 34.43 C ATOM 0 H ALA A 2 0.122 0.126 -0.464 1.00 54.20 H new ATOM 0 HA ALA A 2 2.243 0.665 1.413 1.00 55.21 H new ATOM 0 HB1 ALA A 2 2.911 2.804 0.363 1.00 34.43 H new ATOM 0 HB2 ALA A 2 3.339 1.407 -0.654 1.00 34.43 H new ATOM 0 HB3 ALA A 2 1.922 2.405 -1.062 1.00 34.43 H new ATOM 28 N LEU A 3 0.822 2.526 2.397 1.00 42.32 N ATOM 29 CA LEU A 3 -0.157 3.336 3.114 1.00 42.12 C ATOM 30 C LEU A 3 -0.651 4.488 2.245 1.00 11.52 C ATOM 31 O LEU A 3 0.085 5.439 1.980 1.00 51.01 O ATOM 32 CB LEU A 3 0.452 3.882 4.407 1.00 61.34 C ATOM 33 CG LEU A 3 1.217 2.874 5.266 1.00 41.24 C ATOM 34 CD1 LEU A 3 2.715 3.011 5.042 1.00 61.22 C ATOM 35 CD2 LEU A 3 0.877 3.061 6.737 1.00 74.30 C ATOM 0 H LEU A 3 1.739 2.481 2.842 1.00 42.32 H new ATOM 0 HA LEU A 3 -1.007 2.700 3.361 1.00 42.12 H new ATOM 0 HB2 LEU A 3 1.128 4.698 4.151 1.00 61.34 H new ATOM 0 HB3 LEU A 3 -0.349 4.309 5.010 1.00 61.34 H new ATOM 0 HG LEU A 3 0.916 1.869 4.969 1.00 41.24 H new ATOM 0 HD11 LEU A 3 3.243 2.286 5.661 1.00 61.22 H new ATOM 0 HD12 LEU A 3 2.944 2.827 3.992 1.00 61.22 H new ATOM 0 HD13 LEU A 3 3.033 4.018 5.312 1.00 61.22 H new ATOM 0 HD21 LEU A 3 1.430 2.335 7.333 1.00 74.30 H new ATOM 0 HD22 LEU A 3 1.149 4.070 7.048 1.00 74.30 H new ATOM 0 HD23 LEU A 3 -0.193 2.912 6.885 1.00 74.30 H new ATOM 47 N ASP A 4 -1.902 4.398 1.807 1.00 20.03 N ATOM 48 CA ASP A 4 -2.496 5.435 0.971 1.00 33.52 C ATOM 49 C ASP A 4 -3.114 6.535 1.828 1.00 52.44 C ATOM 50 O ASP A 4 -3.764 7.445 1.313 1.00 60.23 O ATOM 51 CB ASP A 4 -3.558 4.831 0.051 1.00 70.33 C ATOM 52 CG ASP A 4 -3.900 5.740 -1.113 1.00 70.02 C ATOM 53 OD1 ASP A 4 -2.963 6.233 -1.775 1.00 54.23 O ATOM 54 OD2 ASP A 4 -5.104 5.959 -1.361 1.00 54.15 O ATOM 0 H ASP A 4 -2.524 3.618 2.017 1.00 20.03 H new ATOM 0 HA ASP A 4 -1.706 5.874 0.362 1.00 33.52 H new ATOM 0 HB2 ASP A 4 -3.202 3.874 -0.331 1.00 70.33 H new ATOM 0 HB3 ASP A 4 -4.461 4.628 0.627 1.00 70.33 H new ATOM 59 N ALA A 5 -2.908 6.445 3.137 1.00 2.43 N ATOM 60 CA ALA A 5 -3.444 7.434 4.065 1.00 63.21 C ATOM 61 C ALA A 5 -4.925 7.684 3.805 1.00 74.10 C ATOM 62 O ALA A 5 -5.578 6.920 3.096 1.00 72.25 O ATOM 63 CB ALA A 5 -2.661 8.734 3.961 1.00 42.32 C ATOM 0 H ALA A 5 -2.374 5.697 3.580 1.00 2.43 H new ATOM 0 HA ALA A 5 -3.341 7.041 5.076 1.00 63.21 H new ATOM 0 HB1 ALA A 5 -3.072 9.463 4.659 1.00 42.32 H new ATOM 0 HB2 ALA A 5 -1.615 8.549 4.204 1.00 42.32 H new ATOM 0 HB3 ALA A 5 -2.735 9.123 2.945 1.00 42.32 H new ATOM 69 N ASN A 6 -5.450 8.759 4.385 1.00 70.40 N ATOM 70 CA ASN A 6 -6.856 9.108 4.217 1.00 42.44 C ATOM 71 C ASN A 6 -7.754 8.121 4.955 1.00 13.13 C ATOM 72 O ASN A 6 -8.976 8.147 4.806 1.00 32.43 O ATOM 73 CB ASN A 6 -7.222 9.136 2.731 1.00 22.52 C ATOM 74 CG ASN A 6 -8.460 9.966 2.456 1.00 35.10 C ATOM 75 OD1 ASN A 6 -9.543 9.428 2.222 1.00 22.23 O ATOM 76 ND2 ASN A 6 -8.306 11.285 2.482 1.00 34.43 N ATOM 0 H ASN A 6 -4.923 9.403 4.975 1.00 70.40 H new ATOM 0 HA ASN A 6 -7.011 10.100 4.642 1.00 42.44 H new ATOM 0 HB2 ASN A 6 -6.384 9.538 2.161 1.00 22.52 H new ATOM 0 HB3 ASN A 6 -7.386 8.117 2.381 1.00 22.52 H new ATOM 0 HD21 ASN A 6 -9.104 11.895 2.304 1.00 34.43 H new ATOM 0 HD22 ASN A 6 -7.390 11.688 2.680 1.00 34.43 H new ATOM 83 N ASP A 7 -7.141 7.253 5.752 1.00 44.11 N ATOM 84 CA ASP A 7 -7.884 6.258 6.516 1.00 54.14 C ATOM 85 C ASP A 7 -8.479 5.198 5.593 1.00 14.54 C ATOM 86 O ASP A 7 -9.196 4.302 6.041 1.00 24.20 O ATOM 87 CB ASP A 7 -8.995 6.930 7.324 1.00 53.30 C ATOM 88 CG ASP A 7 -10.376 6.458 6.915 1.00 74.35 C ATOM 89 OD1 ASP A 7 -10.939 7.027 5.956 1.00 44.25 O ATOM 90 OD2 ASP A 7 -10.895 5.518 7.552 1.00 23.24 O ATOM 0 H ASP A 7 -6.130 7.218 5.886 1.00 44.11 H new ATOM 0 HA ASP A 7 -7.191 5.770 7.202 1.00 54.14 H new ATOM 0 HB2 ASP A 7 -8.844 6.726 8.384 1.00 53.30 H new ATOM 0 HB3 ASP A 7 -8.931 8.010 7.195 1.00 53.30 H new ATOM 95 N LEU A 8 -8.179 5.308 4.304 1.00 53.00 N ATOM 96 CA LEU A 8 -8.685 4.360 3.317 1.00 32.15 C ATOM 97 C LEU A 8 -8.280 2.934 3.675 1.00 23.41 C ATOM 98 O LEU A 8 -8.905 1.969 3.231 1.00 4.24 O ATOM 99 CB LEU A 8 -8.164 4.716 1.924 1.00 2.33 C ATOM 100 CG LEU A 8 -8.281 3.621 0.863 1.00 1.44 C ATOM 101 CD1 LEU A 8 -8.686 4.217 -0.476 1.00 43.11 C ATOM 102 CD2 LEU A 8 -6.970 2.860 0.736 1.00 64.20 C ATOM 0 H LEU A 8 -7.588 6.044 3.917 1.00 53.00 H new ATOM 0 HA LEU A 8 -9.773 4.420 3.317 1.00 32.15 H new ATOM 0 HB2 LEU A 8 -8.702 5.595 1.571 1.00 2.33 H new ATOM 0 HB3 LEU A 8 -7.115 4.998 2.012 1.00 2.33 H new ATOM 0 HG LEU A 8 -9.056 2.920 1.175 1.00 1.44 H new ATOM 0 HD11 LEU A 8 -8.764 3.423 -1.219 1.00 43.11 H new ATOM 0 HD12 LEU A 8 -9.650 4.716 -0.375 1.00 43.11 H new ATOM 0 HD13 LEU A 8 -7.935 4.939 -0.795 1.00 43.11 H new ATOM 0 HD21 LEU A 8 -7.071 2.085 -0.023 1.00 64.20 H new ATOM 0 HD22 LEU A 8 -6.176 3.549 0.448 1.00 64.20 H new ATOM 0 HD23 LEU A 8 -6.722 2.400 1.693 1.00 64.20 H new ATOM 114 N LEU A 9 -7.232 2.807 4.481 1.00 24.34 N ATOM 115 CA LEU A 9 -6.743 1.498 4.901 1.00 35.34 C ATOM 116 C LEU A 9 -7.072 1.239 6.368 1.00 0.13 C ATOM 117 O LEU A 9 -7.312 2.161 7.148 1.00 12.10 O ATOM 118 CB LEU A 9 -5.233 1.400 4.680 1.00 30.23 C ATOM 119 CG LEU A 9 -4.435 2.682 4.920 1.00 30.11 C ATOM 120 CD1 LEU A 9 -3.023 2.354 5.381 1.00 73.35 C ATOM 121 CD2 LEU A 9 -4.402 3.533 3.659 1.00 14.43 C ATOM 0 H LEU A 9 -6.704 3.595 4.857 1.00 24.34 H new ATOM 0 HA LEU A 9 -7.242 0.740 4.297 1.00 35.34 H new ATOM 0 HB2 LEU A 9 -4.840 0.623 5.335 1.00 30.23 H new ATOM 0 HB3 LEU A 9 -5.056 1.072 3.656 1.00 30.23 H new ATOM 0 HG LEU A 9 -4.928 3.252 5.707 1.00 30.11 H new ATOM 0 HD11 LEU A 9 -2.470 3.279 5.547 1.00 73.35 H new ATOM 0 HD12 LEU A 9 -3.066 1.786 6.310 1.00 73.35 H new ATOM 0 HD13 LEU A 9 -2.519 1.762 4.617 1.00 73.35 H new ATOM 0 HD21 LEU A 9 -3.830 4.441 3.848 1.00 14.43 H new ATOM 0 HD22 LEU A 9 -3.933 2.970 2.852 1.00 14.43 H new ATOM 0 HD23 LEU A 9 -5.420 3.798 3.372 1.00 14.43 H new ATOM 133 N PRO A 10 -7.081 -0.045 6.755 1.00 32.14 N ATOM 134 CA PRO A 10 -7.376 -0.455 8.132 1.00 42.03 C ATOM 135 C PRO A 10 -6.265 -0.069 9.102 1.00 43.40 C ATOM 136 O PRO A 10 -5.155 0.285 8.703 1.00 23.25 O ATOM 137 CB PRO A 10 -7.492 -1.978 8.031 1.00 11.10 C ATOM 138 CG PRO A 10 -6.671 -2.343 6.843 1.00 52.13 C ATOM 139 CD PRO A 10 -6.804 -1.196 5.879 1.00 13.14 C ATOM 0 HA PRO A 10 -8.272 0.030 8.519 1.00 42.03 H new ATOM 0 HB2 PRO A 10 -7.121 -2.464 8.933 1.00 11.10 H new ATOM 0 HB3 PRO A 10 -8.529 -2.288 7.906 1.00 11.10 H new ATOM 0 HG2 PRO A 10 -5.629 -2.499 7.122 1.00 52.13 H new ATOM 0 HG3 PRO A 10 -7.024 -3.272 6.395 1.00 52.13 H new ATOM 0 HD2 PRO A 10 -5.892 -1.050 5.300 1.00 13.14 H new ATOM 0 HD3 PRO A 10 -7.612 -1.362 5.166 1.00 13.14 H new ATOM 147 N PRO A 11 -6.567 -0.137 10.407 1.00 54.21 N ATOM 148 CA PRO A 11 -5.606 0.201 11.461 1.00 15.31 C ATOM 149 C PRO A 11 -4.480 -0.821 11.568 1.00 32.15 C ATOM 150 O PRO A 11 -3.474 -0.581 12.235 1.00 41.14 O ATOM 151 CB PRO A 11 -6.458 0.194 12.733 1.00 52.21 C ATOM 152 CG PRO A 11 -7.595 -0.717 12.422 1.00 30.25 C ATOM 153 CD PRO A 11 -7.871 -0.550 10.954 1.00 43.23 C ATOM 0 HA PRO A 11 -5.109 1.152 11.270 1.00 15.31 H new ATOM 0 HB2 PRO A 11 -5.887 -0.164 13.590 1.00 52.21 H new ATOM 0 HB3 PRO A 11 -6.809 1.196 12.980 1.00 52.21 H new ATOM 0 HG2 PRO A 11 -7.342 -1.751 12.656 1.00 30.25 H new ATOM 0 HG3 PRO A 11 -8.473 -0.462 13.015 1.00 30.25 H new ATOM 0 HD2 PRO A 11 -8.220 -1.479 10.503 1.00 43.23 H new ATOM 0 HD3 PRO A 11 -8.639 0.202 10.772 1.00 43.23 H new ATOM 161 N GLU A 12 -4.657 -1.961 10.908 1.00 31.32 N ATOM 162 CA GLU A 12 -3.654 -3.020 10.931 1.00 55.20 C ATOM 163 C GLU A 12 -2.493 -2.689 9.998 1.00 71.41 C ATOM 164 O GLU A 12 -1.327 -2.822 10.368 1.00 5.15 O ATOM 165 CB GLU A 12 -4.282 -4.356 10.529 1.00 52.05 C ATOM 166 CG GLU A 12 -5.572 -4.669 11.267 1.00 34.53 C ATOM 167 CD GLU A 12 -5.654 -6.118 11.710 1.00 54.45 C ATOM 168 OE1 GLU A 12 -5.078 -6.448 12.767 1.00 45.11 O ATOM 169 OE2 GLU A 12 -6.295 -6.920 10.999 1.00 65.21 O ATOM 0 H GLU A 12 -5.484 -2.175 10.351 1.00 31.32 H new ATOM 0 HA GLU A 12 -3.269 -3.100 11.948 1.00 55.20 H new ATOM 0 HB2 GLU A 12 -4.480 -4.347 9.457 1.00 52.05 H new ATOM 0 HB3 GLU A 12 -3.564 -5.155 10.714 1.00 52.05 H new ATOM 0 HG2 GLU A 12 -5.653 -4.021 12.140 1.00 34.53 H new ATOM 0 HG3 GLU A 12 -6.420 -4.442 10.621 1.00 34.53 H new ATOM 176 N LYS A 13 -2.821 -2.259 8.784 1.00 30.03 N ATOM 177 CA LYS A 13 -1.807 -1.908 7.797 1.00 74.44 C ATOM 178 C LYS A 13 -1.463 -0.424 7.873 1.00 32.44 C ATOM 179 O LYS A 13 -0.457 0.018 7.320 1.00 1.35 O ATOM 180 CB LYS A 13 -2.296 -2.257 6.389 1.00 64.33 C ATOM 181 CG LYS A 13 -1.357 -1.795 5.288 1.00 70.14 C ATOM 182 CD LYS A 13 -1.861 -0.525 4.622 1.00 24.22 C ATOM 183 CE LYS A 13 -2.136 -0.743 3.142 1.00 4.22 C ATOM 184 NZ LYS A 13 -0.896 -0.627 2.325 1.00 53.52 N ATOM 0 H LYS A 13 -3.782 -2.145 8.460 1.00 30.03 H new ATOM 0 HA LYS A 13 -0.907 -2.483 8.017 1.00 74.44 H new ATOM 0 HB2 LYS A 13 -2.425 -3.337 6.315 1.00 64.33 H new ATOM 0 HB3 LYS A 13 -3.276 -1.807 6.232 1.00 64.33 H new ATOM 0 HG2 LYS A 13 -0.365 -1.620 5.704 1.00 70.14 H new ATOM 0 HG3 LYS A 13 -1.255 -2.583 4.541 1.00 70.14 H new ATOM 0 HD2 LYS A 13 -2.773 -0.190 5.117 1.00 24.22 H new ATOM 0 HD3 LYS A 13 -1.123 0.268 4.743 1.00 24.22 H new ATOM 0 HE2 LYS A 13 -2.576 -1.729 2.996 1.00 4.22 H new ATOM 0 HE3 LYS A 13 -2.868 -0.013 2.797 1.00 4.22 H new ATOM 0 HZ1 LYS A 13 -1.101 -0.093 1.457 1.00 53.52 H new ATOM 0 HZ2 LYS A 13 -0.165 -0.130 2.873 1.00 53.52 H new ATOM 0 HZ3 LYS A 13 -0.555 -1.577 2.074 1.00 53.52 H new ATOM 198 N ALA A 14 -2.304 0.339 8.564 1.00 75.44 N ATOM 199 CA ALA A 14 -2.087 1.772 8.716 1.00 63.24 C ATOM 200 C ALA A 14 -0.844 2.053 9.554 1.00 72.51 C ATOM 201 O ALA A 14 -0.217 3.103 9.420 1.00 42.35 O ATOM 202 CB ALA A 14 -3.308 2.428 9.343 1.00 71.44 C ATOM 0 H ALA A 14 -3.142 -0.012 9.027 1.00 75.44 H new ATOM 0 HA ALA A 14 -1.929 2.197 7.725 1.00 63.24 H new ATOM 0 HB1 ALA A 14 -3.131 3.498 9.450 1.00 71.44 H new ATOM 0 HB2 ALA A 14 -4.176 2.266 8.704 1.00 71.44 H new ATOM 0 HB3 ALA A 14 -3.492 1.991 10.324 1.00 71.44 H new ATOM 208 N PHE A 15 -0.494 1.107 10.420 1.00 72.04 N ATOM 209 CA PHE A 15 0.673 1.254 11.281 1.00 31.44 C ATOM 210 C PHE A 15 1.734 0.211 10.942 1.00 31.43 C ATOM 211 O PHE A 15 1.433 -0.975 10.804 1.00 21.11 O ATOM 212 CB PHE A 15 0.267 1.126 12.751 1.00 23.22 C ATOM 213 CG PHE A 15 -0.986 1.878 13.095 1.00 55.24 C ATOM 214 CD1 PHE A 15 -1.174 3.178 12.652 1.00 62.43 C ATOM 215 CD2 PHE A 15 -1.977 1.286 13.861 1.00 15.10 C ATOM 216 CE1 PHE A 15 -2.327 3.873 12.966 1.00 64.34 C ATOM 217 CE2 PHE A 15 -3.132 1.976 14.178 1.00 54.13 C ATOM 218 CZ PHE A 15 -3.307 3.271 13.731 1.00 44.34 C ATOM 0 H PHE A 15 -1.002 0.231 10.544 1.00 72.04 H new ATOM 0 HA PHE A 15 1.096 2.244 11.112 1.00 31.44 H new ATOM 0 HB2 PHE A 15 0.126 0.072 12.990 1.00 23.22 H new ATOM 0 HB3 PHE A 15 1.082 1.488 13.377 1.00 23.22 H new ATOM 0 HD1 PHE A 15 -0.410 3.654 12.054 1.00 62.43 H new ATOM 0 HD2 PHE A 15 -1.846 0.274 14.214 1.00 15.10 H new ATOM 0 HE1 PHE A 15 -2.461 4.885 12.614 1.00 64.34 H new ATOM 0 HE2 PHE A 15 -3.897 1.503 14.775 1.00 54.13 H new ATOM 0 HZ PHE A 15 -4.208 3.812 13.979 1.00 44.34 H new ATOM 228 N VAL A 16 2.977 0.662 10.809 1.00 22.40 N ATOM 229 CA VAL A 16 4.084 -0.231 10.487 1.00 72.23 C ATOM 230 C VAL A 16 5.101 -0.278 11.622 1.00 53.05 C ATOM 231 O VAL A 16 6.125 0.405 11.599 1.00 61.40 O ATOM 232 CB VAL A 16 4.796 0.202 9.192 1.00 51.44 C ATOM 233 CG1 VAL A 16 5.784 -0.863 8.743 1.00 61.42 C ATOM 234 CG2 VAL A 16 3.780 0.494 8.097 1.00 31.34 C ATOM 0 H VAL A 16 3.243 1.641 10.919 1.00 22.40 H new ATOM 0 HA VAL A 16 3.658 -1.224 10.344 1.00 72.23 H new ATOM 0 HB VAL A 16 5.352 1.117 9.393 1.00 51.44 H new ATOM 0 HG11 VAL A 16 6.277 -0.539 7.827 1.00 61.42 H new ATOM 0 HG12 VAL A 16 6.531 -1.018 9.522 1.00 61.42 H new ATOM 0 HG13 VAL A 16 5.253 -1.797 8.559 1.00 61.42 H new ATOM 0 HG21 VAL A 16 4.301 0.799 7.189 1.00 31.34 H new ATOM 0 HG22 VAL A 16 3.194 -0.403 7.896 1.00 31.34 H new ATOM 0 HG23 VAL A 16 3.116 1.296 8.421 1.00 31.34 H new ATOM 244 N PRO A 17 4.814 -1.103 12.639 1.00 32.04 N ATOM 245 CA PRO A 17 5.692 -1.260 13.803 1.00 53.21 C ATOM 246 C PRO A 17 6.990 -1.980 13.456 1.00 22.24 C ATOM 247 O PRO A 17 6.989 -2.948 12.697 1.00 63.22 O ATOM 248 CB PRO A 17 4.854 -2.102 14.768 1.00 21.13 C ATOM 249 CG PRO A 17 3.910 -2.853 13.894 1.00 30.34 C ATOM 250 CD PRO A 17 3.611 -1.947 12.733 1.00 54.33 C ATOM 0 HA PRO A 17 6.001 -0.299 14.213 1.00 53.21 H new ATOM 0 HB2 PRO A 17 5.480 -2.780 15.348 1.00 21.13 H new ATOM 0 HB3 PRO A 17 4.319 -1.473 15.480 1.00 21.13 H new ATOM 0 HG2 PRO A 17 4.353 -3.789 13.554 1.00 30.34 H new ATOM 0 HG3 PRO A 17 2.998 -3.109 14.434 1.00 30.34 H new ATOM 0 HD2 PRO A 17 3.444 -2.512 11.816 1.00 54.33 H new ATOM 0 HD3 PRO A 17 2.715 -1.351 12.909 1.00 54.33 H new ATOM 258 N GLU A 18 8.096 -1.501 14.019 1.00 74.53 N ATOM 259 CA GLU A 18 9.401 -2.101 13.768 1.00 71.12 C ATOM 260 C GLU A 18 10.266 -2.066 15.024 1.00 5.20 C ATOM 261 O GLU A 18 10.334 -1.050 15.717 1.00 43.52 O ATOM 262 CB GLU A 18 10.111 -1.372 12.625 1.00 12.43 C ATOM 263 CG GLU A 18 11.089 -2.246 11.859 1.00 20.44 C ATOM 264 CD GLU A 18 11.420 -1.689 10.489 1.00 70.25 C ATOM 265 OE1 GLU A 18 12.059 -0.618 10.423 1.00 53.04 O ATOM 266 OE2 GLU A 18 11.040 -2.324 9.482 1.00 5.42 O ATOM 0 H GLU A 18 8.114 -0.700 14.651 1.00 74.53 H new ATOM 0 HA GLU A 18 9.246 -3.142 13.484 1.00 71.12 H new ATOM 0 HB2 GLU A 18 9.363 -0.985 11.932 1.00 12.43 H new ATOM 0 HB3 GLU A 18 10.645 -0.513 13.030 1.00 12.43 H new ATOM 0 HG2 GLU A 18 12.008 -2.349 12.437 1.00 20.44 H new ATOM 0 HG3 GLU A 18 10.668 -3.245 11.749 1.00 20.44 H new ATOM 273 N LEU A 19 10.926 -3.182 15.312 1.00 21.31 N ATOM 274 CA LEU A 19 11.788 -3.281 16.485 1.00 14.23 C ATOM 275 C LEU A 19 13.258 -3.204 16.089 1.00 65.22 C ATOM 276 O LEU A 19 13.645 -3.653 15.010 1.00 51.41 O ATOM 277 CB LEU A 19 11.517 -4.587 17.233 1.00 33.51 C ATOM 278 CG LEU A 19 11.163 -4.452 18.715 1.00 63.14 C ATOM 279 CD1 LEU A 19 12.334 -3.870 19.492 1.00 60.44 C ATOM 280 CD2 LEU A 19 9.923 -3.589 18.890 1.00 14.22 C ATOM 0 H LEU A 19 10.881 -4.032 14.749 1.00 21.31 H new ATOM 0 HA LEU A 19 11.564 -2.440 17.142 1.00 14.23 H new ATOM 0 HB2 LEU A 19 10.701 -5.107 16.731 1.00 33.51 H new ATOM 0 HB3 LEU A 19 12.399 -5.221 17.147 1.00 33.51 H new ATOM 0 HG LEU A 19 10.949 -5.445 19.110 1.00 63.14 H new ATOM 0 HD11 LEU A 19 12.064 -3.781 20.544 1.00 60.44 H new ATOM 0 HD12 LEU A 19 13.198 -4.527 19.393 1.00 60.44 H new ATOM 0 HD13 LEU A 19 12.580 -2.885 19.096 1.00 60.44 H new ATOM 0 HD21 LEU A 19 9.686 -3.504 19.950 1.00 14.22 H new ATOM 0 HD22 LEU A 19 10.109 -2.597 18.479 1.00 14.22 H new ATOM 0 HD23 LEU A 19 9.084 -4.047 18.366 1.00 14.22 H new ATOM 292 N ALA A 20 14.075 -2.635 16.970 1.00 54.33 N ATOM 293 CA ALA A 20 15.503 -2.503 16.713 1.00 25.45 C ATOM 294 C ALA A 20 16.306 -2.620 18.005 1.00 72.10 C ATOM 295 O ALA A 20 16.350 -1.687 18.807 1.00 34.20 O ATOM 296 CB ALA A 20 15.797 -1.178 16.026 1.00 73.23 C ATOM 0 H ALA A 20 13.772 -2.258 17.868 1.00 54.33 H new ATOM 0 HA ALA A 20 15.804 -3.316 16.053 1.00 25.45 H new ATOM 0 HB1 ALA A 20 16.868 -1.094 15.841 1.00 73.23 H new ATOM 0 HB2 ALA A 20 15.260 -1.132 15.079 1.00 73.23 H new ATOM 0 HB3 ALA A 20 15.474 -0.357 16.666 1.00 73.23 H new ATOM 302 N VAL A 21 16.939 -3.772 18.201 1.00 62.33 N ATOM 303 CA VAL A 21 17.741 -4.011 19.395 1.00 14.11 C ATOM 304 C VAL A 21 19.107 -3.344 19.283 1.00 53.55 C ATOM 305 O VAL A 21 19.752 -3.399 18.236 1.00 55.11 O ATOM 306 CB VAL A 21 17.937 -5.518 19.648 1.00 52.53 C ATOM 307 CG1 VAL A 21 18.867 -5.744 20.830 1.00 72.33 C ATOM 308 CG2 VAL A 21 16.596 -6.198 19.876 1.00 75.12 C ATOM 0 H VAL A 21 16.912 -4.555 17.548 1.00 62.33 H new ATOM 0 HA VAL A 21 17.196 -3.577 20.233 1.00 14.11 H new ATOM 0 HB VAL A 21 18.397 -5.961 18.765 1.00 52.53 H new ATOM 0 HG11 VAL A 21 18.994 -6.814 20.994 1.00 72.33 H new ATOM 0 HG12 VAL A 21 19.837 -5.291 20.622 1.00 72.33 H new ATOM 0 HG13 VAL A 21 18.438 -5.289 21.723 1.00 72.33 H new ATOM 0 HG21 VAL A 21 16.753 -7.262 20.053 1.00 75.12 H new ATOM 0 HG22 VAL A 21 16.106 -5.754 20.743 1.00 75.12 H new ATOM 0 HG23 VAL A 21 15.967 -6.066 18.996 1.00 75.12 H new ATOM 318 N ALA A 22 19.542 -2.713 20.368 1.00 24.13 N ATOM 319 CA ALA A 22 20.833 -2.037 20.393 1.00 45.13 C ATOM 320 C ALA A 22 21.705 -2.559 21.530 1.00 0.41 C ATOM 321 O ALA A 22 21.312 -3.471 22.257 1.00 25.23 O ATOM 322 CB ALA A 22 20.639 -0.533 20.521 1.00 65.32 C ATOM 0 H ALA A 22 19.019 -2.656 21.242 1.00 24.13 H new ATOM 0 HA ALA A 22 21.344 -2.248 19.453 1.00 45.13 H new ATOM 0 HB1 ALA A 22 21.611 -0.041 20.538 1.00 65.32 H new ATOM 0 HB2 ALA A 22 20.062 -0.167 19.672 1.00 65.32 H new ATOM 0 HB3 ALA A 22 20.104 -0.312 21.445 1.00 65.32 H new ATOM 328 N ASP A 23 22.889 -1.974 21.678 1.00 71.44 N ATOM 329 CA ASP A 23 23.816 -2.380 22.727 1.00 23.33 C ATOM 330 C ASP A 23 23.613 -1.542 23.986 1.00 62.33 C ATOM 331 O ASP A 23 24.056 -1.918 25.072 1.00 53.44 O ATOM 332 CB ASP A 23 25.260 -2.250 22.240 1.00 2.12 C ATOM 333 CG ASP A 23 26.183 -3.265 22.885 1.00 31.23 C ATOM 334 OD1 ASP A 23 25.713 -4.379 23.197 1.00 30.23 O ATOM 335 OD2 ASP A 23 27.375 -2.946 23.079 1.00 53.31 O ATOM 0 H ASP A 23 23.229 -1.217 21.085 1.00 71.44 H new ATOM 0 HA ASP A 23 23.616 -3.423 22.971 1.00 23.33 H new ATOM 0 HB2 ASP A 23 25.288 -2.375 21.158 1.00 2.12 H new ATOM 0 HB3 ASP A 23 25.623 -1.245 22.455 1.00 2.12 H new ATOM 340 N ASP A 24 22.943 -0.406 23.832 1.00 53.14 N ATOM 341 CA ASP A 24 22.681 0.486 24.955 1.00 31.14 C ATOM 342 C ASP A 24 21.184 0.587 25.232 1.00 60.33 C ATOM 343 O ASP A 24 20.741 1.437 26.002 1.00 13.13 O ATOM 344 CB ASP A 24 23.255 1.876 24.676 1.00 63.52 C ATOM 345 CG ASP A 24 24.709 1.826 24.248 1.00 31.21 C ATOM 346 OD1 ASP A 24 25.499 1.122 24.911 1.00 22.24 O ATOM 347 OD2 ASP A 24 25.056 2.490 23.250 1.00 42.24 O ATOM 0 H ASP A 24 22.571 -0.081 22.940 1.00 53.14 H new ATOM 0 HA ASP A 24 23.168 0.071 25.837 1.00 31.14 H new ATOM 0 HB2 ASP A 24 22.666 2.359 23.897 1.00 63.52 H new ATOM 0 HB3 ASP A 24 23.164 2.490 25.572 1.00 63.52 H new ATOM 352 N GLY A 25 20.410 -0.287 24.596 1.00 75.31 N ATOM 353 CA GLY A 25 18.971 -0.279 24.785 1.00 12.25 C ATOM 354 C GLY A 25 18.222 -0.768 23.562 1.00 71.51 C ATOM 355 O GLY A 25 18.823 -1.302 22.629 1.00 31.04 O ATOM 0 H GLY A 25 20.754 -1.000 23.953 1.00 75.31 H new ATOM 0 HA2 GLY A 25 18.716 -0.908 25.638 1.00 12.25 H new ATOM 0 HA3 GLY A 25 18.645 0.733 25.026 1.00 12.25 H new ATOM 359 N VAL A 26 16.905 -0.589 23.565 1.00 52.32 N ATOM 360 CA VAL A 26 16.072 -1.017 22.447 1.00 43.51 C ATOM 361 C VAL A 26 15.340 0.166 21.823 1.00 42.12 C ATOM 362 O VAL A 26 14.844 1.044 22.528 1.00 62.05 O ATOM 363 CB VAL A 26 15.040 -2.071 22.887 1.00 33.04 C ATOM 364 CG1 VAL A 26 14.314 -2.645 21.680 1.00 23.20 C ATOM 365 CG2 VAL A 26 15.714 -3.174 23.689 1.00 62.33 C ATOM 0 H VAL A 26 16.392 -0.150 24.329 1.00 52.32 H new ATOM 0 HA VAL A 26 16.739 -1.460 21.707 1.00 43.51 H new ATOM 0 HB VAL A 26 14.303 -1.587 23.527 1.00 33.04 H new ATOM 0 HG11 VAL A 26 13.589 -3.388 22.011 1.00 23.20 H new ATOM 0 HG12 VAL A 26 13.797 -1.844 21.151 1.00 23.20 H new ATOM 0 HG13 VAL A 26 15.035 -3.115 21.011 1.00 23.20 H new ATOM 0 HG21 VAL A 26 14.970 -3.910 23.992 1.00 62.33 H new ATOM 0 HG22 VAL A 26 16.474 -3.658 23.075 1.00 62.33 H new ATOM 0 HG23 VAL A 26 16.182 -2.745 24.575 1.00 62.33 H new ATOM 375 N ASN A 27 15.276 0.182 20.495 1.00 23.33 N ATOM 376 CA ASN A 27 14.604 1.257 19.775 1.00 3.31 C ATOM 377 C ASN A 27 13.431 0.718 18.962 1.00 22.24 C ATOM 378 O ASN A 27 13.583 -0.220 18.180 1.00 62.41 O ATOM 379 CB ASN A 27 15.591 1.975 18.852 1.00 0.53 C ATOM 380 CG ASN A 27 16.594 2.815 19.620 1.00 41.03 C ATOM 381 OD1 ASN A 27 16.273 3.389 20.660 1.00 32.14 O ATOM 382 ND2 ASN A 27 17.817 2.890 19.108 1.00 50.54 N ATOM 0 H ASN A 27 15.681 -0.537 19.896 1.00 23.33 H new ATOM 0 HA ASN A 27 14.219 1.966 20.508 1.00 3.31 H new ATOM 0 HB2 ASN A 27 16.123 1.238 18.250 1.00 0.53 H new ATOM 0 HB3 ASN A 27 15.040 2.613 18.161 1.00 0.53 H new ATOM 0 HD21 ASN A 27 18.535 3.440 19.580 1.00 50.54 H new ATOM 0 HD22 ASN A 27 18.039 2.397 18.243 1.00 50.54 H new ATOM 389 N VAL A 28 12.260 1.318 19.153 1.00 24.33 N ATOM 390 CA VAL A 28 11.061 0.899 18.437 1.00 2.33 C ATOM 391 C VAL A 28 10.489 2.043 17.607 1.00 5.24 C ATOM 392 O VAL A 28 10.264 3.141 18.117 1.00 44.11 O ATOM 393 CB VAL A 28 9.977 0.391 19.407 1.00 44.24 C ATOM 394 CG1 VAL A 28 9.050 -0.590 18.705 1.00 45.43 C ATOM 395 CG2 VAL A 28 10.615 -0.248 20.631 1.00 64.13 C ATOM 0 H VAL A 28 12.116 2.096 19.797 1.00 24.33 H new ATOM 0 HA VAL A 28 11.356 0.085 17.775 1.00 2.33 H new ATOM 0 HB VAL A 28 9.382 1.242 19.738 1.00 44.24 H new ATOM 0 HG11 VAL A 28 8.291 -0.938 19.405 1.00 45.43 H new ATOM 0 HG12 VAL A 28 8.567 -0.095 17.863 1.00 45.43 H new ATOM 0 HG13 VAL A 28 9.627 -1.441 18.343 1.00 45.43 H new ATOM 0 HG21 VAL A 28 9.835 -0.601 21.305 1.00 64.13 H new ATOM 0 HG22 VAL A 28 11.235 -1.089 20.321 1.00 64.13 H new ATOM 0 HG23 VAL A 28 11.233 0.488 21.145 1.00 64.13 H new ATOM 405 N ARG A 29 10.256 1.778 16.326 1.00 2.31 N ATOM 406 CA ARG A 29 9.711 2.786 15.425 1.00 73.03 C ATOM 407 C ARG A 29 8.493 2.247 14.680 1.00 14.22 C ATOM 408 O ARG A 29 8.539 1.167 14.092 1.00 64.24 O ATOM 409 CB ARG A 29 10.776 3.235 14.423 1.00 2.42 C ATOM 410 CG ARG A 29 10.412 4.508 13.676 1.00 32.11 C ATOM 411 CD ARG A 29 9.468 4.223 12.518 1.00 13.34 C ATOM 412 NE ARG A 29 10.001 4.703 11.246 1.00 23.14 N ATOM 413 CZ ARG A 29 10.045 5.986 10.905 1.00 65.21 C ATOM 414 NH1 ARG A 29 9.591 6.913 11.737 1.00 75.33 N ATOM 415 NH2 ARG A 29 10.546 6.344 9.729 1.00 20.13 N ATOM 0 H ARG A 29 10.436 0.874 15.889 1.00 2.31 H new ATOM 0 HA ARG A 29 9.401 3.642 16.024 1.00 73.03 H new ATOM 0 HB2 ARG A 29 11.717 3.390 14.951 1.00 2.42 H new ATOM 0 HB3 ARG A 29 10.944 2.436 13.701 1.00 2.42 H new ATOM 0 HG2 ARG A 29 9.944 5.213 14.363 1.00 32.11 H new ATOM 0 HG3 ARG A 29 11.318 4.982 13.300 1.00 32.11 H new ATOM 0 HD2 ARG A 29 9.287 3.150 12.453 1.00 13.34 H new ATOM 0 HD3 ARG A 29 8.506 4.697 12.710 1.00 13.34 H new ATOM 0 HE ARG A 29 10.359 4.015 10.583 1.00 23.14 H new ATOM 0 HH11 ARG A 29 9.207 6.642 12.642 1.00 75.33 H new ATOM 0 HH12 ARG A 29 9.626 7.897 11.472 1.00 75.33 H new ATOM 0 HH21 ARG A 29 10.897 5.634 9.087 1.00 20.13 H new ATOM 0 HH22 ARG A 29 10.580 7.329 9.468 1.00 20.13 H new ATOM 429 N PHE A 30 7.403 3.007 14.711 1.00 51.20 N ATOM 430 CA PHE A 30 6.172 2.606 14.041 1.00 74.34 C ATOM 431 C PHE A 30 5.681 3.704 13.102 1.00 75.21 C ATOM 432 O PHE A 30 5.390 4.820 13.533 1.00 34.41 O ATOM 433 CB PHE A 30 5.089 2.278 15.071 1.00 72.33 C ATOM 434 CG PHE A 30 5.469 2.643 16.477 1.00 12.21 C ATOM 435 CD1 PHE A 30 6.270 1.803 17.233 1.00 31.20 C ATOM 436 CD2 PHE A 30 5.024 3.827 17.043 1.00 4.23 C ATOM 437 CE1 PHE A 30 6.622 2.136 18.527 1.00 12.35 C ATOM 438 CE2 PHE A 30 5.373 4.166 18.337 1.00 43.21 C ATOM 439 CZ PHE A 30 6.172 3.319 19.080 1.00 11.33 C ATOM 0 H PHE A 30 7.348 3.904 15.193 1.00 51.20 H new ATOM 0 HA PHE A 30 6.383 1.715 13.450 1.00 74.34 H new ATOM 0 HB2 PHE A 30 4.173 2.804 14.803 1.00 72.33 H new ATOM 0 HB3 PHE A 30 4.869 1.211 15.028 1.00 72.33 H new ATOM 0 HD1 PHE A 30 6.624 0.876 16.806 1.00 31.20 H new ATOM 0 HD2 PHE A 30 4.398 4.492 16.467 1.00 4.23 H new ATOM 0 HE1 PHE A 30 7.248 1.472 19.105 1.00 12.35 H new ATOM 0 HE2 PHE A 30 5.021 5.092 18.767 1.00 43.21 H new ATOM 0 HZ PHE A 30 6.444 3.581 20.092 1.00 11.33 H new ATOM 449 N ARG A 31 5.592 3.379 11.816 1.00 34.13 N ATOM 450 CA ARG A 31 5.138 4.337 10.816 1.00 51.24 C ATOM 451 C ARG A 31 3.616 4.325 10.702 1.00 63.13 C ATOM 452 O ARG A 31 3.023 3.328 10.288 1.00 2.21 O ATOM 453 CB ARG A 31 5.764 4.022 9.456 1.00 43.30 C ATOM 454 CG ARG A 31 7.272 3.839 9.508 1.00 22.41 C ATOM 455 CD ARG A 31 7.945 4.403 8.267 1.00 64.34 C ATOM 456 NE ARG A 31 7.486 3.743 7.047 1.00 14.53 N ATOM 457 CZ ARG A 31 7.936 4.044 5.834 1.00 4.25 C ATOM 458 NH1 ARG A 31 8.854 4.988 5.680 1.00 4.31 N ATOM 459 NH2 ARG A 31 7.469 3.400 4.773 1.00 61.31 N ATOM 0 H ARG A 31 5.828 2.460 11.443 1.00 34.13 H new ATOM 0 HA ARG A 31 5.454 5.331 11.133 1.00 51.24 H new ATOM 0 HB2 ARG A 31 5.310 3.115 9.058 1.00 43.30 H new ATOM 0 HB3 ARG A 31 5.528 4.828 8.761 1.00 43.30 H new ATOM 0 HG2 ARG A 31 7.669 4.333 10.395 1.00 22.41 H new ATOM 0 HG3 ARG A 31 7.508 2.779 9.601 1.00 22.41 H new ATOM 0 HD2 ARG A 31 7.742 5.472 8.199 1.00 64.34 H new ATOM 0 HD3 ARG A 31 9.025 4.288 8.357 1.00 64.34 H new ATOM 0 HE ARG A 31 6.781 3.011 7.131 1.00 14.53 H new ATOM 0 HH11 ARG A 31 9.216 5.485 6.494 1.00 4.31 H new ATOM 0 HH12 ARG A 31 9.198 5.217 4.748 1.00 4.31 H new ATOM 0 HH21 ARG A 31 6.763 2.672 4.888 1.00 61.31 H new ATOM 0 HH22 ARG A 31 7.815 3.632 3.842 1.00 61.31 H new ATOM 473 N ILE A 32 2.992 5.438 11.072 1.00 75.35 N ATOM 474 CA ILE A 32 1.540 5.555 11.010 1.00 31.42 C ATOM 475 C ILE A 32 1.098 6.251 9.728 1.00 62.05 C ATOM 476 O ILE A 32 1.774 7.154 9.235 1.00 31.21 O ATOM 477 CB ILE A 32 0.986 6.331 12.219 1.00 1.15 C ATOM 478 CG1 ILE A 32 1.320 5.598 13.520 1.00 3.23 C ATOM 479 CG2 ILE A 32 -0.517 6.521 12.083 1.00 13.24 C ATOM 480 CD1 ILE A 32 1.884 6.501 14.595 1.00 44.12 C ATOM 0 H ILE A 32 3.468 6.271 11.418 1.00 75.35 H new ATOM 0 HA ILE A 32 1.141 4.541 11.025 1.00 31.42 H new ATOM 0 HB ILE A 32 1.456 7.314 12.247 1.00 1.15 H new ATOM 0 HG12 ILE A 32 0.418 5.116 13.898 1.00 3.23 H new ATOM 0 HG13 ILE A 32 2.039 4.807 13.307 1.00 3.23 H new ATOM 0 HG21 ILE A 32 -0.894 7.071 12.945 1.00 13.24 H new ATOM 0 HG22 ILE A 32 -0.732 7.081 11.173 1.00 13.24 H new ATOM 0 HG23 ILE A 32 -1.004 5.547 12.033 1.00 13.24 H new ATOM 0 HD11 ILE A 32 2.097 5.914 15.488 1.00 44.12 H new ATOM 0 HD12 ILE A 32 2.804 6.963 14.236 1.00 44.12 H new ATOM 0 HD13 ILE A 32 1.158 7.277 14.836 1.00 44.12 H new ATOM 492 N ALA A 33 -0.042 5.826 9.192 1.00 24.13 N ATOM 493 CA ALA A 33 -0.576 6.411 7.969 1.00 11.10 C ATOM 494 C ALA A 33 -0.950 7.875 8.178 1.00 23.33 C ATOM 495 O ALA A 33 -1.346 8.274 9.273 1.00 31.44 O ATOM 496 CB ALA A 33 -1.784 5.620 7.489 1.00 23.52 C ATOM 0 H ALA A 33 -0.613 5.078 9.586 1.00 24.13 H new ATOM 0 HA ALA A 33 0.201 6.367 7.206 1.00 11.10 H new ATOM 0 HB1 ALA A 33 -2.173 6.068 6.575 1.00 23.52 H new ATOM 0 HB2 ALA A 33 -1.489 4.590 7.291 1.00 23.52 H new ATOM 0 HB3 ALA A 33 -2.557 5.635 8.257 1.00 23.52 H new ATOM 502 N ASP A 34 -0.820 8.670 7.122 1.00 11.13 N ATOM 503 CA ASP A 34 -1.145 10.090 7.190 1.00 4.34 C ATOM 504 C ASP A 34 -2.604 10.296 7.583 1.00 74.13 C ATOM 505 O ASP A 34 -2.991 11.373 8.034 1.00 43.45 O ATOM 506 CB ASP A 34 -0.865 10.764 5.846 1.00 1.22 C ATOM 507 CG ASP A 34 0.206 11.833 5.946 1.00 60.41 C ATOM 508 OD1 ASP A 34 1.251 11.569 6.578 1.00 14.00 O ATOM 509 OD2 ASP A 34 0.000 12.932 5.391 1.00 1.01 O ATOM 0 H ASP A 34 -0.492 8.356 6.209 1.00 11.13 H new ATOM 0 HA ASP A 34 -0.515 10.545 7.954 1.00 4.34 H new ATOM 0 HB2 ASP A 34 -0.555 10.010 5.122 1.00 1.22 H new ATOM 0 HB3 ASP A 34 -1.785 11.210 5.468 1.00 1.22 H new ATOM 514 N GLY A 35 -3.412 9.254 7.406 1.00 2.34 N ATOM 515 CA GLY A 35 -4.820 9.342 7.746 1.00 72.34 C ATOM 516 C GLY A 35 -5.106 8.875 9.159 1.00 11.12 C ATOM 517 O GLY A 35 -6.259 8.640 9.522 1.00 71.15 O ATOM 0 H GLY A 35 -3.116 8.352 7.034 1.00 2.34 H new ATOM 0 HA2 GLY A 35 -5.154 10.373 7.633 1.00 72.34 H new ATOM 0 HA3 GLY A 35 -5.398 8.741 7.044 1.00 72.34 H new ATOM 521 N TYR A 36 -4.055 8.739 9.960 1.00 43.34 N ATOM 522 CA TYR A 36 -4.198 8.294 11.340 1.00 22.54 C ATOM 523 C TYR A 36 -3.211 9.017 12.251 1.00 25.44 C ATOM 524 O TYR A 36 -2.191 9.534 11.795 1.00 63.44 O ATOM 525 CB TYR A 36 -3.983 6.782 11.435 1.00 35.02 C ATOM 526 CG TYR A 36 -5.089 5.972 10.796 1.00 0.41 C ATOM 527 CD1 TYR A 36 -6.379 5.992 11.313 1.00 42.24 C ATOM 528 CD2 TYR A 36 -4.844 5.187 9.677 1.00 62.14 C ATOM 529 CE1 TYR A 36 -7.392 5.254 10.732 1.00 30.35 C ATOM 530 CE2 TYR A 36 -5.851 4.446 9.089 1.00 11.41 C ATOM 531 CZ TYR A 36 -7.123 4.483 9.621 1.00 73.23 C ATOM 532 OH TYR A 36 -8.129 3.745 9.039 1.00 11.42 O ATOM 0 H TYR A 36 -3.094 8.931 9.676 1.00 43.34 H new ATOM 0 HA TYR A 36 -5.210 8.532 11.669 1.00 22.54 H new ATOM 0 HB2 TYR A 36 -3.036 6.527 10.959 1.00 35.02 H new ATOM 0 HB3 TYR A 36 -3.898 6.501 12.485 1.00 35.02 H new ATOM 0 HD1 TYR A 36 -6.593 6.595 12.183 1.00 42.24 H new ATOM 0 HD2 TYR A 36 -3.849 5.155 9.259 1.00 62.14 H new ATOM 0 HE1 TYR A 36 -8.389 5.281 11.146 1.00 30.35 H new ATOM 0 HE2 TYR A 36 -5.643 3.842 8.218 1.00 11.41 H new ATOM 0 HH TYR A 36 -7.755 2.919 8.666 1.00 11.42 H new ATOM 542 N TYR A 37 -3.521 9.048 13.543 1.00 71.15 N ATOM 543 CA TYR A 37 -2.663 9.709 14.519 1.00 34.32 C ATOM 544 C TYR A 37 -2.873 9.124 15.912 1.00 31.45 C ATOM 545 O TYR A 37 -4.006 8.912 16.345 1.00 43.21 O ATOM 546 CB TYR A 37 -2.941 11.213 14.538 1.00 33.33 C ATOM 547 CG TYR A 37 -4.340 11.564 14.993 1.00 41.33 C ATOM 548 CD1 TYR A 37 -5.384 11.661 14.081 1.00 11.54 C ATOM 549 CD2 TYR A 37 -4.617 11.798 16.334 1.00 12.31 C ATOM 550 CE1 TYR A 37 -6.663 11.983 14.492 1.00 11.33 C ATOM 551 CE2 TYR A 37 -5.894 12.119 16.754 1.00 4.22 C ATOM 552 CZ TYR A 37 -6.913 12.211 15.830 1.00 61.05 C ATOM 553 OH TYR A 37 -8.186 12.530 16.243 1.00 40.30 O ATOM 0 H TYR A 37 -4.360 8.623 13.938 1.00 71.15 H new ATOM 0 HA TYR A 37 -1.626 9.542 14.226 1.00 34.32 H new ATOM 0 HB2 TYR A 37 -2.221 11.699 15.197 1.00 33.33 H new ATOM 0 HB3 TYR A 37 -2.781 11.616 13.538 1.00 33.33 H new ATOM 0 HD1 TYR A 37 -5.192 11.482 13.033 1.00 11.54 H new ATOM 0 HD2 TYR A 37 -3.821 11.728 17.061 1.00 12.31 H new ATOM 0 HE1 TYR A 37 -7.463 12.056 13.770 1.00 11.33 H new ATOM 0 HE2 TYR A 37 -6.093 12.297 17.801 1.00 4.22 H new ATOM 0 HH TYR A 37 -8.192 12.658 17.215 1.00 40.30 H new ATOM 563 N MET A 38 -1.772 8.865 16.610 1.00 10.03 N ATOM 564 CA MET A 38 -1.834 8.306 17.956 1.00 51.12 C ATOM 565 C MET A 38 -1.342 9.316 18.987 1.00 12.44 C ATOM 566 O MET A 38 -0.355 10.017 18.763 1.00 62.24 O ATOM 567 CB MET A 38 -0.999 7.027 18.039 1.00 41.01 C ATOM 568 CG MET A 38 -1.760 5.776 17.630 1.00 13.45 C ATOM 569 SD MET A 38 -1.540 5.367 15.888 1.00 13.33 S ATOM 570 CE MET A 38 -0.563 3.871 16.013 1.00 54.24 C ATOM 0 H MET A 38 -0.827 9.033 16.266 1.00 10.03 H new ATOM 0 HA MET A 38 -2.875 8.067 18.176 1.00 51.12 H new ATOM 0 HB2 MET A 38 -0.122 7.134 17.401 1.00 41.01 H new ATOM 0 HB3 MET A 38 -0.637 6.905 19.060 1.00 41.01 H new ATOM 0 HG2 MET A 38 -1.427 4.937 18.241 1.00 13.45 H new ATOM 0 HG3 MET A 38 -2.821 5.918 17.835 1.00 13.45 H new ATOM 0 HE1 MET A 38 -0.023 3.710 15.080 1.00 54.24 H new ATOM 0 HE2 MET A 38 0.150 3.969 16.832 1.00 54.24 H new ATOM 0 HE3 MET A 38 -1.220 3.022 16.203 1.00 54.24 H new ATOM 580 N TYR A 39 -2.036 9.387 20.118 1.00 74.34 N ATOM 581 CA TYR A 39 -1.671 10.314 21.182 1.00 34.54 C ATOM 582 C TYR A 39 -0.452 9.810 21.949 1.00 73.21 C ATOM 583 O TYR A 39 -0.437 8.681 22.438 1.00 30.24 O ATOM 584 CB TYR A 39 -2.846 10.509 22.142 1.00 33.33 C ATOM 585 CG TYR A 39 -4.171 10.718 21.443 1.00 3.45 C ATOM 586 CD1 TYR A 39 -4.557 11.980 21.007 1.00 24.32 C ATOM 587 CD2 TYR A 39 -5.036 9.654 21.219 1.00 42.42 C ATOM 588 CE1 TYR A 39 -5.766 12.176 20.369 1.00 20.31 C ATOM 589 CE2 TYR A 39 -6.247 9.841 20.580 1.00 25.11 C ATOM 590 CZ TYR A 39 -6.607 11.103 20.158 1.00 53.43 C ATOM 591 OH TYR A 39 -7.812 11.294 19.521 1.00 13.31 O ATOM 0 H TYR A 39 -2.855 8.813 20.321 1.00 74.34 H new ATOM 0 HA TYR A 39 -1.420 11.271 20.725 1.00 34.54 H new ATOM 0 HB2 TYR A 39 -2.921 9.638 22.792 1.00 33.33 H new ATOM 0 HB3 TYR A 39 -2.643 11.368 22.782 1.00 33.33 H new ATOM 0 HD1 TYR A 39 -3.900 12.822 21.170 1.00 24.32 H new ATOM 0 HD2 TYR A 39 -4.757 8.664 21.550 1.00 42.42 H new ATOM 0 HE1 TYR A 39 -6.051 13.163 20.037 1.00 20.31 H new ATOM 0 HE2 TYR A 39 -6.908 9.003 20.412 1.00 25.11 H new ATOM 0 HH TYR A 39 -8.284 10.438 19.450 1.00 13.31 H new ATOM 601 N GLN A 40 0.567 10.657 22.049 1.00 63.35 N ATOM 602 CA GLN A 40 1.791 10.298 22.755 1.00 3.12 C ATOM 603 C GLN A 40 1.477 9.732 24.136 1.00 73.32 C ATOM 604 O GLN A 40 2.096 8.763 24.576 1.00 52.51 O ATOM 605 CB GLN A 40 2.705 11.518 22.887 1.00 31.13 C ATOM 606 CG GLN A 40 4.123 11.172 23.311 1.00 3.50 C ATOM 607 CD GLN A 40 4.675 12.136 24.343 1.00 1.10 C ATOM 608 OE1 GLN A 40 5.018 13.342 23.904 1.00 33.20 O flip ATOM 609 NE2 GLN A 40 4.793 11.801 25.522 1.00 35.22 N flip ATOM 0 H GLN A 40 0.569 11.596 21.650 1.00 63.35 H new ATOM 0 HA GLN A 40 2.303 9.530 22.175 1.00 3.12 H new ATOM 0 HB2 GLN A 40 2.738 12.042 21.932 1.00 31.13 H new ATOM 0 HB3 GLN A 40 2.275 12.207 23.614 1.00 31.13 H new ATOM 0 HG2 GLN A 40 4.140 10.161 23.718 1.00 3.50 H new ATOM 0 HG3 GLN A 40 4.771 11.174 22.434 1.00 3.50 H new ATOM 0 HE21 GLN A 40 4.517 10.864 25.816 1.00 35.22 H new ATOM 0 HE22 GLN A 40 5.167 12.460 26.205 1.00 35.22 H new ATOM 618 N ALA A 41 0.511 10.342 24.814 1.00 11.25 N ATOM 619 CA ALA A 41 0.113 9.898 26.144 1.00 23.35 C ATOM 620 C ALA A 41 -0.573 8.537 26.086 1.00 13.32 C ATOM 621 O ALA A 41 -0.443 7.724 27.001 1.00 5.34 O ATOM 622 CB ALA A 41 -0.802 10.926 26.793 1.00 70.31 C ATOM 0 H ALA A 41 -0.011 11.146 24.464 1.00 11.25 H new ATOM 0 HA ALA A 41 1.013 9.796 26.750 1.00 23.35 H new ATOM 0 HB1 ALA A 41 -1.091 10.581 27.786 1.00 70.31 H new ATOM 0 HB2 ALA A 41 -0.277 11.878 26.878 1.00 70.31 H new ATOM 0 HB3 ALA A 41 -1.694 11.057 26.181 1.00 70.31 H new ATOM 628 N LYS A 42 -1.306 8.296 25.005 1.00 74.34 N ATOM 629 CA LYS A 42 -2.014 7.033 24.826 1.00 40.43 C ATOM 630 C LYS A 42 -1.050 5.922 24.422 1.00 34.15 C ATOM 631 O LYS A 42 -1.215 4.769 24.824 1.00 41.52 O ATOM 632 CB LYS A 42 -3.108 7.184 23.766 1.00 2.00 C ATOM 633 CG LYS A 42 -4.303 7.994 24.237 1.00 53.13 C ATOM 634 CD LYS A 42 -4.977 7.349 25.436 1.00 23.22 C ATOM 635 CE LYS A 42 -4.726 8.142 26.710 1.00 63.43 C ATOM 636 NZ LYS A 42 -5.137 7.385 27.924 1.00 21.35 N ATOM 0 H LYS A 42 -1.426 8.959 24.239 1.00 74.34 H new ATOM 0 HA LYS A 42 -2.473 6.764 25.777 1.00 40.43 H new ATOM 0 HB2 LYS A 42 -2.683 7.660 22.882 1.00 2.00 H new ATOM 0 HB3 LYS A 42 -3.448 6.194 23.463 1.00 2.00 H new ATOM 0 HG2 LYS A 42 -3.980 9.002 24.499 1.00 53.13 H new ATOM 0 HG3 LYS A 42 -5.022 8.091 23.423 1.00 53.13 H new ATOM 0 HD2 LYS A 42 -6.050 7.277 25.256 1.00 23.22 H new ATOM 0 HD3 LYS A 42 -4.605 6.332 25.560 1.00 23.22 H new ATOM 0 HE2 LYS A 42 -3.667 8.393 26.779 1.00 63.43 H new ATOM 0 HE3 LYS A 42 -5.274 9.083 26.666 1.00 63.43 H new ATOM 0 HZ1 LYS A 42 -4.950 7.959 28.771 1.00 21.35 H new ATOM 0 HZ2 LYS A 42 -6.153 7.168 27.870 1.00 21.35 H new ATOM 0 HZ3 LYS A 42 -4.596 6.499 27.980 1.00 21.35 H new ATOM 650 N ILE A 43 -0.045 6.276 23.629 1.00 72.42 N ATOM 651 CA ILE A 43 0.946 5.308 23.174 1.00 34.14 C ATOM 652 C ILE A 43 1.774 4.780 24.341 1.00 52.11 C ATOM 653 O ILE A 43 2.158 5.534 25.235 1.00 11.11 O ATOM 654 CB ILE A 43 1.891 5.921 22.124 1.00 31.12 C ATOM 655 CG1 ILE A 43 1.100 6.366 20.892 1.00 10.24 C ATOM 656 CG2 ILE A 43 2.970 4.921 21.735 1.00 54.21 C ATOM 657 CD1 ILE A 43 1.661 7.604 20.229 1.00 1.42 C ATOM 0 H ILE A 43 0.105 7.226 23.288 1.00 72.42 H new ATOM 0 HA ILE A 43 0.397 4.484 22.719 1.00 34.14 H new ATOM 0 HB ILE A 43 2.374 6.797 22.558 1.00 31.12 H new ATOM 0 HG12 ILE A 43 1.083 5.552 20.168 1.00 10.24 H new ATOM 0 HG13 ILE A 43 0.067 6.556 21.183 1.00 10.24 H new ATOM 0 HG21 ILE A 43 3.630 5.369 20.992 1.00 54.21 H new ATOM 0 HG22 ILE A 43 3.549 4.648 22.618 1.00 54.21 H new ATOM 0 HG23 ILE A 43 2.505 4.029 21.316 1.00 54.21 H new ATOM 0 HD11 ILE A 43 1.051 7.861 19.363 1.00 1.42 H new ATOM 0 HD12 ILE A 43 1.653 8.432 20.938 1.00 1.42 H new ATOM 0 HD13 ILE A 43 2.685 7.412 19.907 1.00 1.42 H new ATOM 669 N VAL A 44 2.047 3.479 24.325 1.00 44.44 N ATOM 670 CA VAL A 44 2.833 2.850 25.379 1.00 1.14 C ATOM 671 C VAL A 44 3.886 1.915 24.796 1.00 25.15 C ATOM 672 O VAL A 44 3.696 1.339 23.726 1.00 22.43 O ATOM 673 CB VAL A 44 1.937 2.056 26.349 1.00 44.13 C ATOM 674 CG1 VAL A 44 2.677 1.770 27.647 1.00 61.24 C ATOM 675 CG2 VAL A 44 0.644 2.811 26.618 1.00 62.42 C ATOM 0 H VAL A 44 1.735 2.840 23.593 1.00 44.44 H new ATOM 0 HA VAL A 44 3.328 3.652 25.927 1.00 1.14 H new ATOM 0 HB VAL A 44 1.685 1.102 25.885 1.00 44.13 H new ATOM 0 HG11 VAL A 44 2.028 1.209 28.319 1.00 61.24 H new ATOM 0 HG12 VAL A 44 3.572 1.186 27.434 1.00 61.24 H new ATOM 0 HG13 VAL A 44 2.961 2.711 28.119 1.00 61.24 H new ATOM 0 HG21 VAL A 44 0.023 2.236 27.305 1.00 62.42 H new ATOM 0 HG22 VAL A 44 0.874 3.780 27.061 1.00 62.42 H new ATOM 0 HG23 VAL A 44 0.107 2.959 25.681 1.00 62.42 H new ATOM 685 N GLY A 45 4.999 1.768 25.509 1.00 5.20 N ATOM 686 CA GLY A 45 6.067 0.901 25.047 1.00 45.22 C ATOM 687 C GLY A 45 7.145 0.701 26.093 1.00 25.43 C ATOM 688 O GLY A 45 7.863 1.638 26.445 1.00 72.44 O ATOM 0 H GLY A 45 5.180 2.234 26.398 1.00 5.20 H new ATOM 0 HA2 GLY A 45 5.650 -0.067 24.769 1.00 45.22 H new ATOM 0 HA3 GLY A 45 6.512 1.326 24.147 1.00 45.22 H new ATOM 692 N LYS A 46 7.260 -0.524 26.595 1.00 22.30 N ATOM 693 CA LYS A 46 8.258 -0.846 27.608 1.00 30.33 C ATOM 694 C LYS A 46 8.877 -2.215 27.346 1.00 22.54 C ATOM 695 O LYS A 46 8.178 -3.170 27.005 1.00 21.10 O ATOM 696 CB LYS A 46 7.627 -0.819 29.002 1.00 13.52 C ATOM 697 CG LYS A 46 6.955 -2.124 29.392 1.00 40.12 C ATOM 698 CD LYS A 46 7.901 -3.029 30.163 1.00 70.33 C ATOM 699 CE LYS A 46 7.911 -4.440 29.593 1.00 52.52 C ATOM 700 NZ LYS A 46 7.578 -5.458 30.627 1.00 54.02 N ATOM 0 H LYS A 46 6.674 -1.311 26.316 1.00 22.30 H new ATOM 0 HA LYS A 46 9.046 -0.094 27.557 1.00 30.33 H new ATOM 0 HB2 LYS A 46 8.398 -0.584 29.736 1.00 13.52 H new ATOM 0 HB3 LYS A 46 6.892 -0.015 29.043 1.00 13.52 H new ATOM 0 HG2 LYS A 46 6.075 -1.914 30.000 1.00 40.12 H new ATOM 0 HG3 LYS A 46 6.608 -2.638 28.496 1.00 40.12 H new ATOM 0 HD2 LYS A 46 8.909 -2.615 30.131 1.00 70.33 H new ATOM 0 HD3 LYS A 46 7.603 -3.061 31.211 1.00 70.33 H new ATOM 0 HE2 LYS A 46 7.194 -4.506 28.774 1.00 52.52 H new ATOM 0 HE3 LYS A 46 8.894 -4.656 29.174 1.00 52.52 H new ATOM 0 HZ1 LYS A 46 8.349 -6.152 30.692 1.00 54.02 H new ATOM 0 HZ2 LYS A 46 7.455 -4.990 31.548 1.00 54.02 H new ATOM 0 HZ3 LYS A 46 6.696 -5.943 30.365 1.00 54.02 H new ATOM 714 N THR A 47 10.194 -2.306 27.510 1.00 55.23 N ATOM 715 CA THR A 47 10.907 -3.558 27.291 1.00 14.14 C ATOM 716 C THR A 47 11.898 -3.830 28.417 1.00 1.50 C ATOM 717 O THR A 47 12.752 -2.997 28.719 1.00 13.11 O ATOM 718 CB THR A 47 11.662 -3.548 25.949 1.00 52.41 C ATOM 719 OG1 THR A 47 12.355 -4.787 25.767 1.00 23.23 O ATOM 720 CG2 THR A 47 12.652 -2.394 25.894 1.00 52.03 C ATOM 0 H THR A 47 10.788 -1.527 27.794 1.00 55.23 H new ATOM 0 HA THR A 47 10.157 -4.349 27.271 1.00 14.14 H new ATOM 0 HB THR A 47 10.933 -3.420 25.149 1.00 52.41 H new ATOM 0 HG1 THR A 47 12.831 -4.773 24.911 1.00 23.23 H new ATOM 0 HG21 THR A 47 13.173 -2.407 24.937 1.00 52.03 H new ATOM 0 HG22 THR A 47 12.117 -1.450 26.003 1.00 52.03 H new ATOM 0 HG23 THR A 47 13.375 -2.496 26.703 1.00 52.03 H new ATOM 728 N ASN A 48 11.779 -5.001 29.034 1.00 4.31 N ATOM 729 CA ASN A 48 12.666 -5.382 30.127 1.00 3.03 C ATOM 730 C ASN A 48 12.324 -6.776 30.645 1.00 52.33 C ATOM 731 O ASN A 48 11.226 -7.292 30.432 1.00 2.54 O ATOM 732 CB ASN A 48 12.572 -4.365 31.267 1.00 72.23 C ATOM 733 CG ASN A 48 11.179 -3.781 31.406 1.00 3.11 C ATOM 734 OD1 ASN A 48 10.968 -2.590 31.177 1.00 41.13 O ATOM 735 ND2 ASN A 48 10.221 -4.619 31.784 1.00 22.02 N ATOM 0 H ASN A 48 11.077 -5.702 28.796 1.00 4.31 H new ATOM 0 HA ASN A 48 13.687 -5.396 29.745 1.00 3.03 H new ATOM 0 HB2 ASN A 48 12.857 -4.845 32.203 1.00 72.23 H new ATOM 0 HB3 ASN A 48 13.285 -3.560 31.092 1.00 72.23 H new ATOM 0 HD21 ASN A 48 9.264 -4.283 31.895 1.00 22.02 H new ATOM 0 HD22 ASN A 48 10.442 -5.599 31.963 1.00 22.02 H new ATOM 742 N PRO A 49 13.285 -7.401 31.341 1.00 13.01 N ATOM 743 CA PRO A 49 13.108 -8.743 31.904 1.00 3.25 C ATOM 744 C PRO A 49 12.120 -8.759 33.066 1.00 42.43 C ATOM 745 O PRO A 49 11.289 -9.660 33.174 1.00 64.03 O ATOM 746 CB PRO A 49 14.512 -9.110 32.392 1.00 61.12 C ATOM 747 CG PRO A 49 15.178 -7.803 32.648 1.00 45.42 C ATOM 748 CD PRO A 49 14.617 -6.846 31.633 1.00 41.14 C ATOM 0 HA PRO A 49 12.699 -9.441 31.173 1.00 3.25 H new ATOM 0 HB2 PRO A 49 14.471 -9.717 33.296 1.00 61.12 H new ATOM 0 HB3 PRO A 49 15.052 -9.690 31.644 1.00 61.12 H new ATOM 0 HG2 PRO A 49 14.980 -7.456 33.662 1.00 45.42 H new ATOM 0 HG3 PRO A 49 16.260 -7.890 32.546 1.00 45.42 H new ATOM 0 HD2 PRO A 49 14.552 -5.833 32.029 1.00 41.14 H new ATOM 0 HD3 PRO A 49 15.238 -6.799 30.738 1.00 41.14 H new ATOM 756 N ALA A 50 12.216 -7.755 33.932 1.00 71.31 N ATOM 757 CA ALA A 50 11.328 -7.653 35.084 1.00 65.13 C ATOM 758 C ALA A 50 11.289 -6.227 35.622 1.00 45.11 C ATOM 759 O ALA A 50 11.548 -5.991 36.802 1.00 23.42 O ATOM 760 CB ALA A 50 11.766 -8.619 36.175 1.00 63.24 C ATOM 0 H ALA A 50 12.899 -7.001 33.858 1.00 71.31 H new ATOM 0 HA ALA A 50 10.322 -7.919 34.761 1.00 65.13 H new ATOM 0 HB1 ALA A 50 11.094 -8.532 37.029 1.00 63.24 H new ATOM 0 HB2 ALA A 50 11.736 -9.639 35.792 1.00 63.24 H new ATOM 0 HB3 ALA A 50 12.782 -8.379 36.487 1.00 63.24 H new ATOM 766 N ASP A 51 10.965 -5.279 34.749 1.00 24.14 N ATOM 767 CA ASP A 51 10.892 -3.875 35.137 1.00 23.24 C ATOM 768 C ASP A 51 12.262 -3.357 35.564 1.00 23.43 C ATOM 769 O ASP A 51 12.392 -2.681 36.586 1.00 73.51 O ATOM 770 CB ASP A 51 9.886 -3.690 36.275 1.00 63.05 C ATOM 771 CG ASP A 51 9.227 -2.325 36.247 1.00 35.32 C ATOM 772 OD1 ASP A 51 9.831 -1.385 35.691 1.00 2.50 O ATOM 773 OD2 ASP A 51 8.105 -2.198 36.781 1.00 21.23 O ATOM 0 H ASP A 51 10.749 -5.457 33.768 1.00 24.14 H new ATOM 0 HA ASP A 51 10.560 -3.301 34.272 1.00 23.24 H new ATOM 0 HB2 ASP A 51 9.119 -4.462 36.208 1.00 63.05 H new ATOM 0 HB3 ASP A 51 10.393 -3.826 37.230 1.00 63.05 H new ATOM 778 N LEU A 52 13.282 -3.680 34.777 1.00 44.53 N ATOM 779 CA LEU A 52 14.644 -3.248 35.073 1.00 11.22 C ATOM 780 C LEU A 52 15.029 -2.039 34.226 1.00 15.13 C ATOM 781 O LEU A 52 15.778 -1.169 34.671 1.00 4.12 O ATOM 782 CB LEU A 52 15.628 -4.392 34.826 1.00 62.35 C ATOM 783 CG LEU A 52 15.711 -5.455 35.922 1.00 61.35 C ATOM 784 CD1 LEU A 52 16.587 -6.615 35.475 1.00 61.42 C ATOM 785 CD2 LEU A 52 16.242 -4.850 37.213 1.00 42.23 C ATOM 0 H LEU A 52 13.192 -4.240 33.929 1.00 44.53 H new ATOM 0 HA LEU A 52 14.687 -2.960 36.124 1.00 11.22 H new ATOM 0 HB2 LEU A 52 15.356 -4.883 33.892 1.00 62.35 H new ATOM 0 HB3 LEU A 52 16.621 -3.966 34.685 1.00 62.35 H new ATOM 0 HG LEU A 52 14.707 -5.836 36.109 1.00 61.35 H new ATOM 0 HD11 LEU A 52 16.634 -7.362 36.268 1.00 61.42 H new ATOM 0 HD12 LEU A 52 16.164 -7.065 34.577 1.00 61.42 H new ATOM 0 HD13 LEU A 52 17.591 -6.250 35.259 1.00 61.42 H new ATOM 0 HD21 LEU A 52 16.294 -5.621 37.982 1.00 42.23 H new ATOM 0 HD22 LEU A 52 17.238 -4.441 37.041 1.00 42.23 H new ATOM 0 HD23 LEU A 52 15.575 -4.053 37.543 1.00 42.23 H new ATOM 797 N LEU A 53 14.509 -1.990 33.005 1.00 51.33 N ATOM 798 CA LEU A 53 14.796 -0.886 32.095 1.00 12.32 C ATOM 799 C LEU A 53 14.528 0.457 32.767 1.00 14.11 C ATOM 800 O LEU A 53 13.611 0.585 33.578 1.00 42.11 O ATOM 801 CB LEU A 53 13.951 -1.012 30.826 1.00 12.33 C ATOM 802 CG LEU A 53 14.133 0.094 29.786 1.00 13.32 C ATOM 803 CD1 LEU A 53 15.080 -0.358 28.686 1.00 24.02 C ATOM 804 CD2 LEU A 53 12.789 0.502 29.201 1.00 73.15 C ATOM 0 H LEU A 53 13.887 -2.701 32.622 1.00 51.33 H new ATOM 0 HA LEU A 53 15.852 -0.933 31.827 1.00 12.32 H new ATOM 0 HB2 LEU A 53 14.180 -1.968 30.355 1.00 12.33 H new ATOM 0 HB3 LEU A 53 12.900 -1.042 31.115 1.00 12.33 H new ATOM 0 HG LEU A 53 14.571 0.962 30.279 1.00 13.32 H new ATOM 0 HD11 LEU A 53 15.197 0.442 27.955 1.00 24.02 H new ATOM 0 HD12 LEU A 53 16.051 -0.600 29.118 1.00 24.02 H new ATOM 0 HD13 LEU A 53 14.672 -1.241 28.195 1.00 24.02 H new ATOM 0 HD21 LEU A 53 12.938 1.290 28.463 1.00 73.15 H new ATOM 0 HD22 LEU A 53 12.323 -0.360 28.723 1.00 73.15 H new ATOM 0 HD23 LEU A 53 12.142 0.869 29.998 1.00 73.15 H new ATOM 816 N GLY A 54 15.333 1.457 32.422 1.00 1.21 N ATOM 817 CA GLY A 54 15.165 2.778 33.000 1.00 62.04 C ATOM 818 C GLY A 54 13.816 3.387 32.672 1.00 63.13 C ATOM 819 O GLY A 54 12.806 3.034 33.278 1.00 34.34 O ATOM 0 H GLY A 54 16.098 1.376 31.753 1.00 1.21 H new ATOM 0 HA2 GLY A 54 15.278 2.715 34.082 1.00 62.04 H new ATOM 0 HA3 GLY A 54 15.955 3.434 32.635 1.00 62.04 H new ATOM 823 N GLN A 55 13.801 4.305 31.711 1.00 61.02 N ATOM 824 CA GLN A 55 12.566 4.966 31.306 1.00 70.32 C ATOM 825 C GLN A 55 12.504 5.123 29.790 1.00 24.30 C ATOM 826 O GLN A 55 13.525 5.153 29.103 1.00 63.14 O ATOM 827 CB GLN A 55 12.452 6.335 31.977 1.00 15.33 C ATOM 828 CG GLN A 55 13.735 7.148 31.924 1.00 52.44 C ATOM 829 CD GLN A 55 14.569 7.006 33.182 1.00 52.44 C ATOM 830 OE1 GLN A 55 14.237 7.567 34.227 1.00 60.52 O ATOM 831 NE2 GLN A 55 15.659 6.254 33.088 1.00 71.03 N ATOM 0 H GLN A 55 14.629 4.608 31.199 1.00 61.02 H new ATOM 0 HA GLN A 55 11.730 4.343 31.623 1.00 70.32 H new ATOM 0 HB2 GLN A 55 11.654 6.900 31.496 1.00 15.33 H new ATOM 0 HB3 GLN A 55 12.162 6.197 33.019 1.00 15.33 H new ATOM 0 HG2 GLN A 55 14.325 6.832 31.064 1.00 52.44 H new ATOM 0 HG3 GLN A 55 13.489 8.199 31.773 1.00 52.44 H new ATOM 0 HE21 GLN A 55 15.896 5.808 32.202 1.00 71.03 H new ATOM 0 HE22 GLN A 55 16.260 6.122 33.902 1.00 71.03 H new ATOM 840 N PRO A 56 11.279 5.225 29.255 1.00 72.25 N ATOM 841 CA PRO A 56 11.055 5.381 27.814 1.00 32.43 C ATOM 842 C PRO A 56 11.499 6.747 27.303 1.00 72.10 C ATOM 843 O PRO A 56 11.471 7.734 28.038 1.00 44.12 O ATOM 844 CB PRO A 56 9.539 5.223 27.672 1.00 12.20 C ATOM 845 CG PRO A 56 8.991 5.619 29.000 1.00 73.43 C ATOM 846 CD PRO A 56 10.018 5.196 30.014 1.00 55.51 C ATOM 0 HA PRO A 56 11.629 4.660 27.232 1.00 32.43 H new ATOM 0 HB2 PRO A 56 9.148 5.858 26.877 1.00 12.20 H new ATOM 0 HB3 PRO A 56 9.270 4.197 27.423 1.00 12.20 H new ATOM 0 HG2 PRO A 56 8.817 6.694 29.046 1.00 73.43 H new ATOM 0 HG3 PRO A 56 8.034 5.133 29.188 1.00 73.43 H new ATOM 0 HD2 PRO A 56 10.046 5.876 30.865 1.00 55.51 H new ATOM 0 HD3 PRO A 56 9.808 4.201 30.407 1.00 55.51 H new ATOM 854 N SER A 57 11.907 6.797 26.039 1.00 22.41 N ATOM 855 CA SER A 57 12.360 8.042 25.431 1.00 64.24 C ATOM 856 C SER A 57 11.693 8.259 24.076 1.00 14.32 C ATOM 857 O SER A 57 12.237 7.889 23.036 1.00 61.30 O ATOM 858 CB SER A 57 13.881 8.030 25.266 1.00 64.31 C ATOM 859 OG SER A 57 14.284 8.858 24.189 1.00 4.33 O ATOM 0 H SER A 57 11.933 5.990 25.416 1.00 22.41 H new ATOM 0 HA SER A 57 12.079 8.863 26.091 1.00 64.24 H new ATOM 0 HB2 SER A 57 14.353 8.372 26.187 1.00 64.31 H new ATOM 0 HB3 SER A 57 14.223 7.010 25.092 1.00 64.31 H new ATOM 0 HG SER A 57 13.890 8.525 23.355 1.00 4.33 H new ATOM 865 N PHE A 58 10.509 8.863 24.097 1.00 32.24 N ATOM 866 CA PHE A 58 9.765 9.129 22.872 1.00 14.41 C ATOM 867 C PHE A 58 10.520 10.110 21.979 1.00 30.43 C ATOM 868 O PHE A 58 11.340 10.894 22.456 1.00 51.55 O ATOM 869 CB PHE A 58 8.379 9.687 23.203 1.00 11.51 C ATOM 870 CG PHE A 58 7.352 8.624 23.469 1.00 62.11 C ATOM 871 CD1 PHE A 58 7.650 7.542 24.282 1.00 2.51 C ATOM 872 CD2 PHE A 58 6.089 8.705 22.905 1.00 41.31 C ATOM 873 CE1 PHE A 58 6.708 6.562 24.529 1.00 14.11 C ATOM 874 CE2 PHE A 58 5.142 7.728 23.149 1.00 44.34 C ATOM 875 CZ PHE A 58 5.452 6.655 23.961 1.00 63.23 C ATOM 0 H PHE A 58 10.045 9.177 24.949 1.00 32.24 H new ATOM 0 HA PHE A 58 9.652 8.188 22.334 1.00 14.41 H new ATOM 0 HB2 PHE A 58 8.456 10.333 24.077 1.00 11.51 H new ATOM 0 HB3 PHE A 58 8.040 10.310 22.375 1.00 11.51 H new ATOM 0 HD1 PHE A 58 8.631 7.464 24.728 1.00 2.51 H new ATOM 0 HD2 PHE A 58 5.842 9.541 22.268 1.00 41.31 H new ATOM 0 HE1 PHE A 58 6.953 5.724 25.165 1.00 14.11 H new ATOM 0 HE2 PHE A 58 4.160 7.804 22.705 1.00 44.34 H new ATOM 0 HZ PHE A 58 4.714 5.890 24.152 1.00 63.23 H new ATOM 885 N SER A 59 10.238 10.057 20.681 1.00 15.15 N ATOM 886 CA SER A 59 10.893 10.937 19.720 1.00 34.35 C ATOM 887 C SER A 59 10.238 12.315 19.711 1.00 30.31 C ATOM 888 O SER A 59 10.645 13.204 18.962 1.00 35.54 O ATOM 889 CB SER A 59 10.840 10.325 18.319 1.00 1.11 C ATOM 890 OG SER A 59 11.624 11.074 17.406 1.00 33.12 O ATOM 0 H SER A 59 9.561 9.414 20.271 1.00 15.15 H new ATOM 0 HA SER A 59 11.935 11.051 20.020 1.00 34.35 H new ATOM 0 HB2 SER A 59 11.200 9.297 18.354 1.00 1.11 H new ATOM 0 HB3 SER A 59 9.807 10.290 17.973 1.00 1.11 H new ATOM 0 HG SER A 59 11.505 12.031 17.581 1.00 33.12 H new ATOM 896 N LYS A 60 9.221 12.485 20.549 1.00 52.12 N ATOM 897 CA LYS A 60 8.508 13.754 20.640 1.00 4.10 C ATOM 898 C LYS A 60 7.754 14.049 19.347 1.00 21.24 C ATOM 899 O LYS A 60 8.349 14.124 18.273 1.00 22.43 O ATOM 900 CB LYS A 60 9.487 14.891 20.943 1.00 51.24 C ATOM 901 CG LYS A 60 8.856 16.055 21.687 1.00 54.13 C ATOM 902 CD LYS A 60 8.752 15.774 23.176 1.00 11.14 C ATOM 903 CE LYS A 60 7.335 15.390 23.574 1.00 51.22 C ATOM 904 NZ LYS A 60 7.038 15.753 24.987 1.00 32.43 N ATOM 0 H LYS A 60 8.872 11.760 21.175 1.00 52.12 H new ATOM 0 HA LYS A 60 7.785 13.679 21.452 1.00 4.10 H new ATOM 0 HB2 LYS A 60 10.315 14.499 21.534 1.00 51.24 H new ATOM 0 HB3 LYS A 60 9.909 15.255 20.006 1.00 51.24 H new ATOM 0 HG2 LYS A 60 9.449 16.955 21.526 1.00 54.13 H new ATOM 0 HG3 LYS A 60 7.863 16.251 21.283 1.00 54.13 H new ATOM 0 HD2 LYS A 60 9.437 14.969 23.444 1.00 11.14 H new ATOM 0 HD3 LYS A 60 9.062 16.656 23.736 1.00 11.14 H new ATOM 0 HE2 LYS A 60 6.625 15.888 22.914 1.00 51.22 H new ATOM 0 HE3 LYS A 60 7.198 14.317 23.438 1.00 51.22 H new ATOM 0 HZ1 LYS A 60 6.063 15.475 25.219 1.00 32.43 H new ATOM 0 HZ2 LYS A 60 7.699 15.258 25.619 1.00 32.43 H new ATOM 0 HZ3 LYS A 60 7.144 16.780 25.111 1.00 32.43 H new ATOM 918 N GLY A 61 6.440 14.217 19.459 1.00 32.34 N ATOM 919 CA GLY A 61 5.626 14.503 18.292 1.00 24.31 C ATOM 920 C GLY A 61 5.192 15.954 18.230 1.00 71.54 C ATOM 921 O GLY A 61 5.906 16.842 18.694 1.00 74.21 O ATOM 0 H GLY A 61 5.925 14.160 20.337 1.00 32.34 H new ATOM 0 HA2 GLY A 61 6.188 14.256 17.391 1.00 24.31 H new ATOM 0 HA3 GLY A 61 4.744 13.863 18.302 1.00 24.31 H new ATOM 925 N GLU A 62 4.019 16.194 17.653 1.00 54.14 N ATOM 926 CA GLU A 62 3.492 17.548 17.529 1.00 2.31 C ATOM 927 C GLU A 62 2.358 17.784 18.522 1.00 32.32 C ATOM 928 O GLU A 62 1.446 16.966 18.643 1.00 51.52 O ATOM 929 CB GLU A 62 2.997 17.799 16.103 1.00 33.42 C ATOM 930 CG GLU A 62 3.354 19.175 15.567 1.00 25.33 C ATOM 931 CD GLU A 62 3.142 19.291 14.070 1.00 12.14 C ATOM 932 OE1 GLU A 62 2.191 18.666 13.557 1.00 73.44 O ATOM 933 OE2 GLU A 62 3.926 20.007 13.413 1.00 33.11 O ATOM 0 H GLU A 62 3.416 15.469 17.264 1.00 54.14 H new ATOM 0 HA GLU A 62 4.299 18.246 17.753 1.00 2.31 H new ATOM 0 HB2 GLU A 62 3.418 17.041 15.443 1.00 33.42 H new ATOM 0 HB3 GLU A 62 1.914 17.678 16.077 1.00 33.42 H new ATOM 0 HG2 GLU A 62 2.750 19.927 16.075 1.00 25.33 H new ATOM 0 HG3 GLU A 62 4.396 19.393 15.801 1.00 25.33 H new ATOM 940 N GLU A 63 2.423 18.906 19.231 1.00 1.41 N ATOM 941 CA GLU A 63 1.402 19.248 20.215 1.00 44.53 C ATOM 942 C GLU A 63 0.165 19.829 19.536 1.00 43.13 C ATOM 943 O GLU A 63 0.266 20.724 18.696 1.00 11.23 O ATOM 944 CB GLU A 63 1.957 20.249 21.231 1.00 52.11 C ATOM 945 CG GLU A 63 2.120 19.672 22.627 1.00 63.42 C ATOM 946 CD GLU A 63 2.786 20.641 23.585 1.00 73.42 C ATOM 947 OE1 GLU A 63 3.823 21.226 23.210 1.00 51.53 O ATOM 948 OE2 GLU A 63 2.270 20.813 24.709 1.00 71.22 O ATOM 0 H GLU A 63 3.171 19.594 19.143 1.00 1.41 H new ATOM 0 HA GLU A 63 1.114 18.334 20.735 1.00 44.53 H new ATOM 0 HB2 GLU A 63 2.924 20.611 20.881 1.00 52.11 H new ATOM 0 HB3 GLU A 63 1.292 21.112 21.279 1.00 52.11 H new ATOM 0 HG2 GLU A 63 1.141 19.395 23.018 1.00 63.42 H new ATOM 0 HG3 GLU A 63 2.711 18.758 22.571 1.00 63.42 H new ATOM 955 N LYS A 64 -1.002 19.313 19.904 1.00 20.45 N ATOM 956 CA LYS A 64 -2.260 19.778 19.333 1.00 10.31 C ATOM 957 C LYS A 64 -3.379 19.730 20.369 1.00 61.13 C ATOM 958 O LYS A 64 -3.322 18.951 21.320 1.00 54.50 O ATOM 959 CB LYS A 64 -2.638 18.928 18.118 1.00 21.23 C ATOM 960 CG LYS A 64 -2.968 17.486 18.464 1.00 12.21 C ATOM 961 CD LYS A 64 -4.434 17.174 18.212 1.00 64.35 C ATOM 962 CE LYS A 64 -4.784 17.300 16.737 1.00 72.11 C ATOM 963 NZ LYS A 64 -3.849 16.524 15.876 1.00 32.20 N ATOM 0 H LYS A 64 -1.103 18.571 20.597 1.00 20.45 H new ATOM 0 HA LYS A 64 -2.126 20.813 19.017 1.00 10.31 H new ATOM 0 HB2 LYS A 64 -3.497 19.380 17.622 1.00 21.23 H new ATOM 0 HB3 LYS A 64 -1.814 18.942 17.404 1.00 21.23 H new ATOM 0 HG2 LYS A 64 -2.345 16.817 17.870 1.00 12.21 H new ATOM 0 HG3 LYS A 64 -2.730 17.298 19.511 1.00 12.21 H new ATOM 0 HD2 LYS A 64 -4.656 16.164 18.555 1.00 64.35 H new ATOM 0 HD3 LYS A 64 -5.057 17.853 18.794 1.00 64.35 H new ATOM 0 HE2 LYS A 64 -5.803 16.949 16.574 1.00 72.11 H new ATOM 0 HE3 LYS A 64 -4.758 18.350 16.446 1.00 72.11 H new ATOM 0 HZ1 LYS A 64 -4.256 16.423 14.924 1.00 32.20 H new ATOM 0 HZ2 LYS A 64 -2.940 17.024 15.812 1.00 32.20 H new ATOM 0 HZ3 LYS A 64 -3.697 15.582 16.289 1.00 32.20 H new ATOM 977 N GLU A 65 -4.395 20.566 20.176 1.00 64.44 N ATOM 978 CA GLU A 65 -5.526 20.616 21.094 1.00 53.34 C ATOM 979 C GLU A 65 -6.798 20.112 20.418 1.00 71.22 C ATOM 980 O GLU A 65 -7.088 20.465 19.275 1.00 71.25 O ATOM 981 CB GLU A 65 -5.737 22.045 21.600 1.00 31.43 C ATOM 982 CG GLU A 65 -4.442 22.787 21.885 1.00 71.23 C ATOM 983 CD GLU A 65 -4.602 23.851 22.953 1.00 31.11 C ATOM 984 OE1 GLU A 65 -5.744 24.065 23.412 1.00 45.02 O ATOM 985 OE2 GLU A 65 -3.585 24.469 23.330 1.00 2.45 O ATOM 0 H GLU A 65 -4.457 21.217 19.393 1.00 64.44 H new ATOM 0 HA GLU A 65 -5.303 19.967 21.941 1.00 53.34 H new ATOM 0 HB2 GLU A 65 -6.310 22.603 20.859 1.00 31.43 H new ATOM 0 HB3 GLU A 65 -6.336 22.015 22.510 1.00 31.43 H new ATOM 0 HG2 GLU A 65 -3.681 22.073 22.200 1.00 71.23 H new ATOM 0 HG3 GLU A 65 -4.084 23.251 20.966 1.00 71.23 H new ATOM 992 N ASP A 66 -7.552 19.284 21.132 1.00 12.15 N ATOM 993 CA ASP A 66 -8.793 18.731 20.603 1.00 33.32 C ATOM 994 C ASP A 66 -9.755 18.375 21.733 1.00 62.32 C ATOM 995 O ASP A 66 -9.535 18.742 22.886 1.00 2.32 O ATOM 996 CB ASP A 66 -8.503 17.492 19.754 1.00 12.02 C ATOM 997 CG ASP A 66 -9.328 17.455 18.483 1.00 14.10 C ATOM 998 OD1 ASP A 66 -8.972 18.171 17.524 1.00 15.21 O ATOM 999 OD2 ASP A 66 -10.331 16.711 18.447 1.00 21.24 O ATOM 0 H ASP A 66 -7.325 18.981 22.079 1.00 12.15 H new ATOM 0 HA ASP A 66 -9.262 19.490 19.976 1.00 33.32 H new ATOM 0 HB2 ASP A 66 -7.444 17.471 19.497 1.00 12.02 H new ATOM 0 HB3 ASP A 66 -8.706 16.597 20.342 1.00 12.02 H new ATOM 1004 N GLU A 67 -10.821 17.658 21.392 1.00 53.04 N ATOM 1005 CA GLU A 67 -11.817 17.255 22.378 1.00 60.44 C ATOM 1006 C GLU A 67 -11.752 15.752 22.633 1.00 24.43 C ATOM 1007 O GLU A 67 -12.408 15.235 23.538 1.00 54.33 O ATOM 1008 CB GLU A 67 -13.220 17.642 21.906 1.00 11.33 C ATOM 1009 CG GLU A 67 -13.554 17.141 20.511 1.00 22.23 C ATOM 1010 CD GLU A 67 -14.928 17.582 20.046 1.00 43.52 C ATOM 1011 OE1 GLU A 67 -15.210 18.798 20.098 1.00 71.43 O ATOM 1012 OE2 GLU A 67 -15.720 16.712 19.629 1.00 34.10 O ATOM 0 H GLU A 67 -11.017 17.344 20.441 1.00 53.04 H new ATOM 0 HA GLU A 67 -11.599 17.775 23.311 1.00 60.44 H new ATOM 0 HB2 GLU A 67 -13.953 17.247 22.610 1.00 11.33 H new ATOM 0 HB3 GLU A 67 -13.314 18.728 21.925 1.00 11.33 H new ATOM 0 HG2 GLU A 67 -12.803 17.504 19.809 1.00 22.23 H new ATOM 0 HG3 GLU A 67 -13.502 16.052 20.498 1.00 22.23 H new ATOM 1019 N PHE A 68 -10.955 15.055 21.830 1.00 70.24 N ATOM 1020 CA PHE A 68 -10.804 13.611 21.967 1.00 73.12 C ATOM 1021 C PHE A 68 -9.758 13.271 23.024 1.00 2.42 C ATOM 1022 O PHE A 68 -9.496 12.101 23.301 1.00 21.32 O ATOM 1023 CB PHE A 68 -10.411 12.988 20.626 1.00 52.04 C ATOM 1024 CG PHE A 68 -11.558 12.865 19.663 1.00 64.10 C ATOM 1025 CD1 PHE A 68 -12.259 13.987 19.253 1.00 42.40 C ATOM 1026 CD2 PHE A 68 -11.934 11.627 19.169 1.00 73.44 C ATOM 1027 CE1 PHE A 68 -13.314 13.878 18.367 1.00 60.31 C ATOM 1028 CE2 PHE A 68 -12.988 11.511 18.282 1.00 33.20 C ATOM 1029 CZ PHE A 68 -13.680 12.637 17.882 1.00 43.53 C ATOM 0 H PHE A 68 -10.404 15.467 21.077 1.00 70.24 H new ATOM 0 HA PHE A 68 -11.762 13.200 22.284 1.00 73.12 H new ATOM 0 HB2 PHE A 68 -9.627 13.592 20.170 1.00 52.04 H new ATOM 0 HB3 PHE A 68 -9.989 11.999 20.804 1.00 52.04 H new ATOM 0 HD1 PHE A 68 -11.978 14.959 19.630 1.00 42.40 H new ATOM 0 HD2 PHE A 68 -11.398 10.743 19.480 1.00 73.44 H new ATOM 0 HE1 PHE A 68 -13.851 14.761 18.054 1.00 60.31 H new ATOM 0 HE2 PHE A 68 -13.270 10.540 17.902 1.00 33.20 H new ATOM 0 HZ PHE A 68 -14.506 12.548 17.191 1.00 43.53 H new ATOM 1039 N PHE A 69 -9.162 14.304 23.611 1.00 30.03 N ATOM 1040 CA PHE A 69 -8.143 14.116 24.637 1.00 2.52 C ATOM 1041 C PHE A 69 -7.717 15.456 25.232 1.00 34.54 C ATOM 1042 O PHE A 69 -7.401 15.548 26.418 1.00 40.03 O ATOM 1043 CB PHE A 69 -6.926 13.396 24.052 1.00 53.21 C ATOM 1044 CG PHE A 69 -6.131 14.241 23.098 1.00 74.24 C ATOM 1045 CD1 PHE A 69 -6.719 14.756 21.953 1.00 0.35 C ATOM 1046 CD2 PHE A 69 -4.797 14.520 23.345 1.00 60.22 C ATOM 1047 CE1 PHE A 69 -5.990 15.533 21.073 1.00 5.13 C ATOM 1048 CE2 PHE A 69 -4.063 15.296 22.468 1.00 5.44 C ATOM 1049 CZ PHE A 69 -4.660 15.805 21.332 1.00 71.53 C ATOM 0 H PHE A 69 -9.367 15.279 23.394 1.00 30.03 H new ATOM 0 HA PHE A 69 -8.571 13.504 25.431 1.00 2.52 H new ATOM 0 HB2 PHE A 69 -6.278 13.074 24.867 1.00 53.21 H new ATOM 0 HB3 PHE A 69 -7.260 12.496 23.536 1.00 53.21 H new ATOM 0 HD1 PHE A 69 -7.758 14.548 21.746 1.00 0.35 H new ATOM 0 HD2 PHE A 69 -4.325 14.127 24.233 1.00 60.22 H new ATOM 0 HE1 PHE A 69 -6.459 15.927 20.184 1.00 5.13 H new ATOM 0 HE2 PHE A 69 -3.023 15.504 22.671 1.00 5.44 H new ATOM 0 HZ PHE A 69 -4.089 16.414 20.647 1.00 71.53 H new ATOM 1059 N GLY A 70 -7.712 16.492 24.399 1.00 31.14 N ATOM 1060 CA GLY A 70 -7.324 17.812 24.860 1.00 5.11 C ATOM 1061 C GLY A 70 -6.055 18.308 24.195 1.00 10.10 C ATOM 1062 O GLY A 70 -5.841 18.082 23.004 1.00 73.40 O ATOM 0 H GLY A 70 -7.970 16.441 23.413 1.00 31.14 H new ATOM 0 HA2 GLY A 70 -8.133 18.515 24.662 1.00 5.11 H new ATOM 0 HA3 GLY A 70 -7.179 17.788 25.940 1.00 5.11 H new ATOM 1066 N ARG A 71 -5.212 18.988 24.965 1.00 0.21 N ATOM 1067 CA ARG A 71 -3.959 19.520 24.442 1.00 13.24 C ATOM 1068 C ARG A 71 -2.782 18.642 24.855 1.00 45.12 C ATOM 1069 O ARG A 71 -2.320 18.702 25.994 1.00 11.10 O ATOM 1070 CB ARG A 71 -3.741 20.951 24.939 1.00 32.42 C ATOM 1071 CG ARG A 71 -4.512 21.279 26.207 1.00 11.13 C ATOM 1072 CD ARG A 71 -3.967 20.516 27.404 1.00 23.12 C ATOM 1073 NE ARG A 71 -4.656 20.873 28.641 1.00 31.23 N ATOM 1074 CZ ARG A 71 -4.475 22.025 29.277 1.00 33.02 C ATOM 1075 NH1 ARG A 71 -3.632 22.927 28.795 1.00 42.03 N ATOM 1076 NH2 ARG A 71 -5.139 22.277 30.398 1.00 74.10 N ATOM 0 H ARG A 71 -5.374 19.184 25.953 1.00 0.21 H new ATOM 0 HA ARG A 71 -4.022 19.526 23.354 1.00 13.24 H new ATOM 0 HB2 ARG A 71 -2.677 21.106 25.120 1.00 32.42 H new ATOM 0 HB3 ARG A 71 -4.035 21.648 24.154 1.00 32.42 H new ATOM 0 HG2 ARG A 71 -4.456 22.350 26.401 1.00 11.13 H new ATOM 0 HG3 ARG A 71 -5.565 21.035 26.067 1.00 11.13 H new ATOM 0 HD2 ARG A 71 -4.069 19.445 27.228 1.00 23.12 H new ATOM 0 HD3 ARG A 71 -2.902 20.721 27.510 1.00 23.12 H new ATOM 0 HE ARG A 71 -5.312 20.201 29.038 1.00 31.23 H new ATOM 0 HH11 ARG A 71 -3.120 22.737 27.933 1.00 42.03 H new ATOM 0 HH12 ARG A 71 -3.495 23.811 29.286 1.00 42.03 H new ATOM 0 HH21 ARG A 71 -5.789 21.586 30.772 1.00 74.10 H new ATOM 0 HH22 ARG A 71 -4.999 23.162 30.886 1.00 74.10 H new ATOM 1090 N GLN A 72 -2.302 17.828 23.920 1.00 25.34 N ATOM 1091 CA GLN A 72 -1.179 16.937 24.188 1.00 63.31 C ATOM 1092 C GLN A 72 -0.399 16.645 22.910 1.00 30.10 C ATOM 1093 O GLN A 72 -0.820 17.017 21.814 1.00 60.51 O ATOM 1094 CB GLN A 72 -1.675 15.629 24.807 1.00 64.32 C ATOM 1095 CG GLN A 72 -1.347 15.492 26.285 1.00 43.31 C ATOM 1096 CD GLN A 72 0.076 15.028 26.527 1.00 60.14 C ATOM 1097 OE1 GLN A 72 0.556 14.097 25.879 1.00 42.44 O ATOM 1098 NE2 GLN A 72 0.759 15.675 27.463 1.00 3.42 N ATOM 0 H GLN A 72 -2.673 17.767 22.972 1.00 25.34 H new ATOM 0 HA GLN A 72 -0.513 17.435 24.893 1.00 63.31 H new ATOM 0 HB2 GLN A 72 -2.755 15.561 24.675 1.00 64.32 H new ATOM 0 HB3 GLN A 72 -1.235 14.791 24.267 1.00 64.32 H new ATOM 0 HG2 GLN A 72 -1.501 16.452 26.778 1.00 43.31 H new ATOM 0 HG3 GLN A 72 -2.038 14.784 26.743 1.00 43.31 H new ATOM 0 HE21 GLN A 72 0.322 16.441 27.976 1.00 3.42 H new ATOM 0 HE22 GLN A 72 1.721 15.407 27.670 1.00 3.42 H new ATOM 1107 N THR A 73 0.741 15.977 23.058 1.00 41.14 N ATOM 1108 CA THR A 73 1.581 15.637 21.916 1.00 32.21 C ATOM 1109 C THR A 73 1.105 14.352 21.247 1.00 3.13 C ATOM 1110 O THR A 73 0.723 13.395 21.920 1.00 34.12 O ATOM 1111 CB THR A 73 3.054 15.470 22.332 1.00 4.34 C ATOM 1112 OG1 THR A 73 3.215 15.813 23.713 1.00 20.05 O ATOM 1113 CG2 THR A 73 3.960 16.345 21.479 1.00 41.30 C ATOM 0 H THR A 73 1.104 15.661 23.957 1.00 41.14 H new ATOM 0 HA THR A 73 1.502 16.463 21.209 1.00 32.21 H new ATOM 0 HB THR A 73 3.335 14.428 22.181 1.00 4.34 H new ATOM 0 HG1 THR A 73 3.815 15.168 24.143 1.00 20.05 H new ATOM 0 HG21 THR A 73 4.995 16.210 21.791 1.00 41.30 H new ATOM 0 HG22 THR A 73 3.857 16.062 20.431 1.00 41.30 H new ATOM 0 HG23 THR A 73 3.677 17.390 21.602 1.00 41.30 H new ATOM 1121 N VAL A 74 1.132 14.337 19.918 1.00 3.14 N ATOM 1122 CA VAL A 74 0.705 13.168 19.158 1.00 5.52 C ATOM 1123 C VAL A 74 1.581 12.964 17.927 1.00 71.00 C ATOM 1124 O VAL A 74 2.443 13.788 17.622 1.00 42.14 O ATOM 1125 CB VAL A 74 -0.764 13.294 18.715 1.00 72.44 C ATOM 1126 CG1 VAL A 74 -1.643 13.700 19.887 1.00 34.24 C ATOM 1127 CG2 VAL A 74 -0.892 14.289 17.572 1.00 53.34 C ATOM 0 H VAL A 74 1.445 15.121 19.345 1.00 3.14 H new ATOM 0 HA VAL A 74 0.805 12.306 19.818 1.00 5.52 H new ATOM 0 HB VAL A 74 -1.102 12.321 18.359 1.00 72.44 H new ATOM 0 HG11 VAL A 74 -2.677 13.784 19.554 1.00 34.24 H new ATOM 0 HG12 VAL A 74 -1.574 12.946 20.672 1.00 34.24 H new ATOM 0 HG13 VAL A 74 -1.308 14.661 20.277 1.00 34.24 H new ATOM 0 HG21 VAL A 74 -1.937 14.366 17.272 1.00 53.34 H new ATOM 0 HG22 VAL A 74 -0.536 15.266 17.899 1.00 53.34 H new ATOM 0 HG23 VAL A 74 -0.295 13.950 16.726 1.00 53.34 H new ATOM 1137 N TYR A 75 1.353 11.861 17.223 1.00 25.30 N ATOM 1138 CA TYR A 75 2.123 11.546 16.025 1.00 10.21 C ATOM 1139 C TYR A 75 1.214 11.445 14.804 1.00 14.43 C ATOM 1140 O TYR A 75 0.147 10.832 14.859 1.00 40.12 O ATOM 1141 CB TYR A 75 2.888 10.235 16.215 1.00 42.44 C ATOM 1142 CG TYR A 75 3.927 10.294 17.312 1.00 60.23 C ATOM 1143 CD1 TYR A 75 4.920 11.266 17.304 1.00 71.01 C ATOM 1144 CD2 TYR A 75 3.917 9.377 18.355 1.00 35.23 C ATOM 1145 CE1 TYR A 75 5.872 11.323 18.304 1.00 74.14 C ATOM 1146 CE2 TYR A 75 4.863 9.427 19.360 1.00 42.10 C ATOM 1147 CZ TYR A 75 5.839 10.402 19.330 1.00 72.34 C ATOM 1148 OH TYR A 75 6.785 10.454 20.328 1.00 55.32 O ATOM 0 H TYR A 75 0.641 11.170 17.461 1.00 25.30 H new ATOM 0 HA TYR A 75 2.836 12.354 15.859 1.00 10.21 H new ATOM 0 HB2 TYR A 75 2.178 9.439 16.441 1.00 42.44 H new ATOM 0 HB3 TYR A 75 3.376 9.970 15.277 1.00 42.44 H new ATOM 0 HD1 TYR A 75 4.948 11.989 16.502 1.00 71.01 H new ATOM 0 HD2 TYR A 75 3.156 8.611 18.381 1.00 35.23 H new ATOM 0 HE1 TYR A 75 6.638 12.084 18.282 1.00 74.14 H new ATOM 0 HE2 TYR A 75 4.839 8.707 20.165 1.00 42.10 H new ATOM 0 HH TYR A 75 6.842 9.582 20.771 1.00 55.32 H new ATOM 1158 N HIS A 76 1.644 12.052 13.702 1.00 32.33 N ATOM 1159 CA HIS A 76 0.870 12.030 12.466 1.00 21.11 C ATOM 1160 C HIS A 76 1.429 10.996 11.493 1.00 20.24 C ATOM 1161 O HIS A 76 0.875 10.779 10.415 1.00 35.15 O ATOM 1162 CB HIS A 76 0.871 13.413 11.814 1.00 4.14 C ATOM 1163 CG HIS A 76 2.184 13.782 11.194 1.00 73.53 C ATOM 1164 ND1 HIS A 76 2.302 14.704 10.176 1.00 2.40 N ATOM 1165 CD2 HIS A 76 3.439 13.347 11.453 1.00 30.24 C ATOM 1166 CE1 HIS A 76 3.573 14.820 9.835 1.00 3.14 C ATOM 1167 NE2 HIS A 76 4.284 14.007 10.596 1.00 42.21 N ATOM 0 H HIS A 76 2.524 12.565 13.640 1.00 32.33 H new ATOM 0 HA HIS A 76 -0.155 11.754 12.713 1.00 21.11 H new ATOM 0 HB2 HIS A 76 0.095 13.445 11.049 1.00 4.14 H new ATOM 0 HB3 HIS A 76 0.610 14.160 12.564 1.00 4.14 H new ATOM 0 HD1 HIS A 76 1.529 15.217 9.752 1.00 2.40 H new ATOM 0 HD2 HIS A 76 3.723 12.616 12.196 1.00 30.24 H new ATOM 0 HE1 HIS A 76 3.964 15.469 9.065 1.00 3.14 H new ATOM 1175 N HIS A 77 2.531 10.361 11.881 1.00 74.41 N ATOM 1176 CA HIS A 77 3.165 9.349 11.043 1.00 53.22 C ATOM 1177 C HIS A 77 4.389 8.759 11.736 1.00 31.11 C ATOM 1178 O HIS A 77 4.476 7.548 11.937 1.00 72.03 O ATOM 1179 CB HIS A 77 3.568 9.952 9.696 1.00 35.45 C ATOM 1180 CG HIS A 77 4.414 9.040 8.862 1.00 55.23 C ATOM 1181 ND1 HIS A 77 3.916 8.314 7.800 1.00 21.35 N ATOM 1182 CD2 HIS A 77 5.731 8.741 8.936 1.00 65.12 C ATOM 1183 CE1 HIS A 77 4.891 7.606 7.259 1.00 21.50 C ATOM 1184 NE2 HIS A 77 6.003 7.847 7.929 1.00 3.22 N ATOM 0 H HIS A 77 3.003 10.529 12.769 1.00 74.41 H new ATOM 0 HA HIS A 77 2.444 8.549 10.874 1.00 53.22 H new ATOM 0 HB2 HIS A 77 2.668 10.210 9.139 1.00 35.45 H new ATOM 0 HB3 HIS A 77 4.112 10.880 9.871 1.00 35.45 H new ATOM 0 HD2 HIS A 77 6.437 9.132 9.653 1.00 65.12 H new ATOM 0 HE1 HIS A 77 4.795 6.943 6.412 1.00 21.50 H new ATOM 0 HE2 HIS A 77 6.915 7.436 7.731 1.00 3.22 H new ATOM 1192 N GLU A 78 5.332 9.623 12.098 1.00 21.14 N ATOM 1193 CA GLU A 78 6.552 9.185 12.767 1.00 14.45 C ATOM 1194 C GLU A 78 6.311 8.986 14.261 1.00 22.21 C ATOM 1195 O GLU A 78 5.734 9.844 14.928 1.00 53.13 O ATOM 1196 CB GLU A 78 7.672 10.205 12.552 1.00 70.02 C ATOM 1197 CG GLU A 78 7.287 11.623 12.938 1.00 11.11 C ATOM 1198 CD GLU A 78 7.051 12.512 11.733 1.00 53.33 C ATOM 1199 OE1 GLU A 78 6.575 11.998 10.699 1.00 31.13 O ATOM 1200 OE2 GLU A 78 7.342 13.723 11.824 1.00 52.53 O ATOM 0 H GLU A 78 5.275 10.629 11.940 1.00 21.14 H new ATOM 0 HA GLU A 78 6.851 8.231 12.334 1.00 14.45 H new ATOM 0 HB2 GLU A 78 8.543 9.903 13.133 1.00 70.02 H new ATOM 0 HB3 GLU A 78 7.968 10.191 11.503 1.00 70.02 H new ATOM 0 HG2 GLU A 78 6.384 11.597 13.548 1.00 11.11 H new ATOM 0 HG3 GLU A 78 8.076 12.055 13.554 1.00 11.11 H new ATOM 1207 N ALA A 79 6.758 7.847 14.779 1.00 21.44 N ATOM 1208 CA ALA A 79 6.593 7.534 16.194 1.00 43.14 C ATOM 1209 C ALA A 79 7.636 6.523 16.658 1.00 44.34 C ATOM 1210 O ALA A 79 7.432 5.314 16.551 1.00 42.44 O ATOM 1211 CB ALA A 79 5.191 7.007 16.458 1.00 53.04 C ATOM 0 H ALA A 79 7.237 7.125 14.240 1.00 21.44 H new ATOM 0 HA ALA A 79 6.737 8.453 16.763 1.00 43.14 H new ATOM 0 HB1 ALA A 79 5.082 6.778 17.518 1.00 53.04 H new ATOM 0 HB2 ALA A 79 4.459 7.762 16.173 1.00 53.04 H new ATOM 0 HB3 ALA A 79 5.026 6.103 15.872 1.00 53.04 H new ATOM 1217 N GLN A 80 8.754 7.027 17.172 1.00 32.31 N ATOM 1218 CA GLN A 80 9.829 6.166 17.651 1.00 42.23 C ATOM 1219 C GLN A 80 10.113 6.420 19.128 1.00 74.53 C ATOM 1220 O GLN A 80 10.000 7.548 19.607 1.00 22.35 O ATOM 1221 CB GLN A 80 11.099 6.396 16.829 1.00 73.21 C ATOM 1222 CG GLN A 80 12.362 5.888 17.506 1.00 73.15 C ATOM 1223 CD GLN A 80 13.600 6.084 16.653 1.00 52.00 C ATOM 1224 OE1 GLN A 80 13.527 6.615 15.544 1.00 15.04 O ATOM 1225 NE2 GLN A 80 14.747 5.656 17.167 1.00 72.40 N ATOM 0 H GLN A 80 8.939 8.026 17.267 1.00 32.31 H new ATOM 0 HA GLN A 80 9.511 5.130 17.534 1.00 42.23 H new ATOM 0 HB2 GLN A 80 10.991 5.903 15.863 1.00 73.21 H new ATOM 0 HB3 GLN A 80 11.206 7.463 16.632 1.00 73.21 H new ATOM 0 HG2 GLN A 80 12.494 6.406 18.456 1.00 73.15 H new ATOM 0 HG3 GLN A 80 12.246 4.828 17.734 1.00 73.15 H new ATOM 0 HE21 GLN A 80 14.762 5.222 18.090 1.00 72.40 H new ATOM 0 HE22 GLN A 80 15.613 5.762 16.639 1.00 72.40 H new ATOM 1234 N VAL A 81 10.480 5.362 19.845 1.00 45.25 N ATOM 1235 CA VAL A 81 10.781 5.470 21.267 1.00 14.12 C ATOM 1236 C VAL A 81 12.042 4.691 21.623 1.00 34.24 C ATOM 1237 O VAL A 81 12.254 3.579 21.140 1.00 41.44 O ATOM 1238 CB VAL A 81 9.612 4.955 22.128 1.00 12.20 C ATOM 1239 CG1 VAL A 81 9.825 5.317 23.590 1.00 24.40 C ATOM 1240 CG2 VAL A 81 8.291 5.512 21.620 1.00 13.50 C ATOM 0 H VAL A 81 10.576 4.421 19.464 1.00 45.25 H new ATOM 0 HA VAL A 81 10.940 6.528 21.478 1.00 14.12 H new ATOM 0 HB VAL A 81 9.577 3.868 22.049 1.00 12.20 H new ATOM 0 HG11 VAL A 81 8.989 4.945 24.182 1.00 24.40 H new ATOM 0 HG12 VAL A 81 10.751 4.865 23.945 1.00 24.40 H new ATOM 0 HG13 VAL A 81 9.888 6.400 23.691 1.00 24.40 H new ATOM 0 HG21 VAL A 81 7.476 5.138 22.240 1.00 13.50 H new ATOM 0 HG22 VAL A 81 8.313 6.601 21.668 1.00 13.50 H new ATOM 0 HG23 VAL A 81 8.136 5.197 20.588 1.00 13.50 H new ATOM 1250 N ALA A 82 12.875 5.281 22.473 1.00 3.42 N ATOM 1251 CA ALA A 82 14.115 4.642 22.897 1.00 74.42 C ATOM 1252 C ALA A 82 13.982 4.064 24.302 1.00 41.40 C ATOM 1253 O ALA A 82 13.465 4.720 25.207 1.00 24.11 O ATOM 1254 CB ALA A 82 15.267 5.633 22.838 1.00 64.11 C ATOM 0 H ALA A 82 12.714 6.201 22.882 1.00 3.42 H new ATOM 0 HA ALA A 82 14.323 3.820 22.213 1.00 74.42 H new ATOM 0 HB1 ALA A 82 16.186 5.142 23.157 1.00 64.11 H new ATOM 0 HB2 ALA A 82 15.385 5.994 21.816 1.00 64.11 H new ATOM 0 HB3 ALA A 82 15.057 6.475 23.498 1.00 64.11 H new ATOM 1260 N PHE A 83 14.451 2.833 24.478 1.00 41.53 N ATOM 1261 CA PHE A 83 14.383 2.167 25.773 1.00 3.20 C ATOM 1262 C PHE A 83 15.781 1.834 26.287 1.00 72.10 C ATOM 1263 O PHE A 83 16.281 0.721 26.123 1.00 31.24 O ATOM 1264 CB PHE A 83 13.547 0.890 25.670 1.00 24.32 C ATOM 1265 CG PHE A 83 12.165 1.120 25.130 1.00 32.03 C ATOM 1266 CD1 PHE A 83 11.450 2.254 25.481 1.00 34.45 C ATOM 1267 CD2 PHE A 83 11.581 0.203 24.271 1.00 14.23 C ATOM 1268 CE1 PHE A 83 10.177 2.467 24.987 1.00 51.33 C ATOM 1269 CE2 PHE A 83 10.308 0.412 23.773 1.00 23.20 C ATOM 1270 CZ PHE A 83 9.606 1.546 24.130 1.00 21.15 C ATOM 0 H PHE A 83 14.882 2.277 23.740 1.00 41.53 H new ATOM 0 HA PHE A 83 13.908 2.848 26.480 1.00 3.20 H new ATOM 0 HB2 PHE A 83 14.065 0.177 25.029 1.00 24.32 H new ATOM 0 HB3 PHE A 83 13.471 0.434 26.657 1.00 24.32 H new ATOM 0 HD1 PHE A 83 11.892 2.979 26.148 1.00 34.45 H new ATOM 0 HD2 PHE A 83 12.126 -0.685 23.987 1.00 14.23 H new ATOM 0 HE1 PHE A 83 9.629 3.353 25.271 1.00 51.33 H new ATOM 0 HE2 PHE A 83 9.863 -0.311 23.105 1.00 23.20 H new ATOM 0 HZ PHE A 83 8.613 1.713 23.740 1.00 21.15 H new ATOM 1280 N PRO A 84 16.428 2.822 26.923 1.00 32.44 N ATOM 1281 CA PRO A 84 17.776 2.658 27.474 1.00 3.25 C ATOM 1282 C PRO A 84 17.800 1.731 28.685 1.00 74.34 C ATOM 1283 O PRO A 84 17.029 1.906 29.628 1.00 15.13 O ATOM 1284 CB PRO A 84 18.167 4.081 27.883 1.00 21.44 C ATOM 1285 CG PRO A 84 16.871 4.775 28.125 1.00 63.22 C ATOM 1286 CD PRO A 84 15.892 4.174 27.155 1.00 63.34 C ATOM 0 HA PRO A 84 18.457 2.203 26.755 1.00 3.25 H new ATOM 0 HB2 PRO A 84 18.788 4.079 28.779 1.00 21.44 H new ATOM 0 HB3 PRO A 84 18.740 4.575 27.099 1.00 21.44 H new ATOM 0 HG2 PRO A 84 16.538 4.633 29.153 1.00 63.22 H new ATOM 0 HG3 PRO A 84 16.968 5.849 27.967 1.00 63.22 H new ATOM 0 HD2 PRO A 84 14.884 4.141 27.569 1.00 63.34 H new ATOM 0 HD3 PRO A 84 15.838 4.749 26.231 1.00 63.34 H new ATOM 1294 N TYR A 85 18.689 0.744 28.651 1.00 54.32 N ATOM 1295 CA TYR A 85 18.811 -0.212 29.744 1.00 33.35 C ATOM 1296 C TYR A 85 19.197 0.490 31.042 1.00 14.54 C ATOM 1297 O TYR A 85 19.698 1.614 31.028 1.00 44.05 O ATOM 1298 CB TYR A 85 19.850 -1.281 29.402 1.00 51.05 C ATOM 1299 CG TYR A 85 19.534 -2.049 28.138 1.00 45.11 C ATOM 1300 CD1 TYR A 85 18.233 -2.438 27.845 1.00 41.13 C ATOM 1301 CD2 TYR A 85 20.537 -2.386 27.238 1.00 64.53 C ATOM 1302 CE1 TYR A 85 17.940 -3.140 26.692 1.00 60.33 C ATOM 1303 CE2 TYR A 85 20.253 -3.087 26.082 1.00 64.34 C ATOM 1304 CZ TYR A 85 18.953 -3.462 25.813 1.00 25.12 C ATOM 1305 OH TYR A 85 18.667 -4.162 24.663 1.00 13.44 O ATOM 0 H TYR A 85 19.335 0.586 27.878 1.00 54.32 H new ATOM 0 HA TYR A 85 17.841 -0.689 29.884 1.00 33.35 H new ATOM 0 HB2 TYR A 85 20.826 -0.807 29.295 1.00 51.05 H new ATOM 0 HB3 TYR A 85 19.926 -1.982 30.234 1.00 51.05 H new ATOM 0 HD1 TYR A 85 17.437 -2.187 28.530 1.00 41.13 H new ATOM 0 HD2 TYR A 85 21.556 -2.095 27.446 1.00 64.53 H new ATOM 0 HE1 TYR A 85 16.923 -3.435 26.480 1.00 60.33 H new ATOM 0 HE2 TYR A 85 21.045 -3.340 25.392 1.00 64.34 H new ATOM 0 HH TYR A 85 18.189 -4.986 24.892 1.00 13.44 H new ATOM 1315 N ALA A 86 18.959 -0.181 32.164 1.00 11.04 N ATOM 1316 CA ALA A 86 19.283 0.376 33.472 1.00 44.44 C ATOM 1317 C ALA A 86 19.751 -0.712 34.432 1.00 42.03 C ATOM 1318 O ALA A 86 19.785 -0.511 35.646 1.00 50.00 O ATOM 1319 CB ALA A 86 18.080 1.109 34.047 1.00 71.44 C ATOM 0 H ALA A 86 18.543 -1.112 32.194 1.00 11.04 H new ATOM 0 HA ALA A 86 20.100 1.086 33.344 1.00 44.44 H new ATOM 0 HB1 ALA A 86 18.337 1.519 35.024 1.00 71.44 H new ATOM 0 HB2 ALA A 86 17.793 1.919 33.377 1.00 71.44 H new ATOM 0 HB3 ALA A 86 17.247 0.414 34.153 1.00 71.44 H new ATOM 1325 N LYS A 87 20.111 -1.866 33.880 1.00 30.14 N ATOM 1326 CA LYS A 87 20.578 -2.987 34.687 1.00 34.41 C ATOM 1327 C LYS A 87 21.501 -3.893 33.878 1.00 10.31 C ATOM 1328 O LYS A 87 21.399 -3.964 32.654 1.00 72.22 O ATOM 1329 CB LYS A 87 19.388 -3.794 35.213 1.00 1.22 C ATOM 1330 CG LYS A 87 19.791 -5.024 36.007 1.00 31.50 C ATOM 1331 CD LYS A 87 20.563 -4.651 37.261 1.00 30.03 C ATOM 1332 CE LYS A 87 19.642 -4.101 38.340 1.00 70.42 C ATOM 1333 NZ LYS A 87 20.401 -3.643 39.536 1.00 33.24 N ATOM 0 H LYS A 87 20.088 -2.049 32.877 1.00 30.14 H new ATOM 0 HA LYS A 87 21.139 -2.586 35.531 1.00 34.41 H new ATOM 0 HB2 LYS A 87 18.773 -3.151 35.843 1.00 1.22 H new ATOM 0 HB3 LYS A 87 18.768 -4.102 34.371 1.00 1.22 H new ATOM 0 HG2 LYS A 87 18.900 -5.589 36.282 1.00 31.50 H new ATOM 0 HG3 LYS A 87 20.402 -5.676 35.383 1.00 31.50 H new ATOM 0 HD2 LYS A 87 21.087 -5.528 37.641 1.00 30.03 H new ATOM 0 HD3 LYS A 87 21.321 -3.908 37.015 1.00 30.03 H new ATOM 0 HE2 LYS A 87 19.065 -3.269 37.936 1.00 70.42 H new ATOM 0 HE3 LYS A 87 18.929 -4.870 38.635 1.00 70.42 H new ATOM 0 HZ1 LYS A 87 19.738 -3.275 40.248 1.00 33.24 H new ATOM 0 HZ2 LYS A 87 20.932 -4.442 39.937 1.00 33.24 H new ATOM 0 HZ3 LYS A 87 21.064 -2.891 39.259 1.00 33.24 H new ATOM 1347 N ALA A 88 22.401 -4.583 34.571 1.00 72.33 N ATOM 1348 CA ALA A 88 23.339 -5.487 33.917 1.00 43.55 C ATOM 1349 C ALA A 88 22.638 -6.340 32.865 1.00 10.30 C ATOM 1350 O ALA A 88 21.906 -7.273 33.195 1.00 2.14 O ATOM 1351 CB ALA A 88 24.024 -6.372 34.947 1.00 64.34 C ATOM 0 H ALA A 88 22.500 -4.533 35.585 1.00 72.33 H new ATOM 0 HA ALA A 88 24.094 -4.884 33.413 1.00 43.55 H new ATOM 0 HB1 ALA A 88 24.722 -7.042 34.445 1.00 64.34 H new ATOM 0 HB2 ALA A 88 24.567 -5.749 35.658 1.00 64.34 H new ATOM 0 HB3 ALA A 88 23.275 -6.960 35.478 1.00 64.34 H new ATOM 1357 N VAL A 89 22.866 -6.013 31.597 1.00 74.23 N ATOM 1358 CA VAL A 89 22.256 -6.750 30.496 1.00 33.24 C ATOM 1359 C VAL A 89 22.934 -8.101 30.297 1.00 33.01 C ATOM 1360 O VAL A 89 23.912 -8.422 30.971 1.00 53.12 O ATOM 1361 CB VAL A 89 22.326 -5.954 29.180 1.00 3.50 C ATOM 1362 CG1 VAL A 89 21.735 -4.564 29.364 1.00 33.31 C ATOM 1363 CG2 VAL A 89 23.762 -5.869 28.685 1.00 22.31 C ATOM 0 H VAL A 89 23.468 -5.243 31.307 1.00 74.23 H new ATOM 0 HA VAL A 89 21.210 -6.907 30.761 1.00 33.24 H new ATOM 0 HB VAL A 89 21.736 -6.477 28.428 1.00 3.50 H new ATOM 0 HG11 VAL A 89 21.793 -4.016 28.423 1.00 33.31 H new ATOM 0 HG12 VAL A 89 20.692 -4.650 29.670 1.00 33.31 H new ATOM 0 HG13 VAL A 89 22.295 -4.029 30.131 1.00 33.31 H new ATOM 0 HG21 VAL A 89 23.793 -5.303 27.754 1.00 22.31 H new ATOM 0 HG22 VAL A 89 24.376 -5.369 29.434 1.00 22.31 H new ATOM 0 HG23 VAL A 89 24.147 -6.874 28.512 1.00 22.31 H new ATOM 1373 N GLY A 90 22.407 -8.890 29.365 1.00 11.04 N ATOM 1374 CA GLY A 90 22.974 -10.198 29.093 1.00 2.33 C ATOM 1375 C GLY A 90 21.934 -11.300 29.127 1.00 13.52 C ATOM 1376 O GLY A 90 22.267 -12.479 29.025 1.00 62.50 O ATOM 0 H GLY A 90 21.598 -8.647 28.794 1.00 11.04 H new ATOM 0 HA2 GLY A 90 23.454 -10.186 28.114 1.00 2.33 H new ATOM 0 HA3 GLY A 90 23.751 -10.413 29.827 1.00 2.33 H new ATOM 1380 N GLU A 91 20.670 -10.914 29.273 1.00 51.31 N ATOM 1381 CA GLU A 91 19.578 -11.879 29.323 1.00 61.12 C ATOM 1382 C GLU A 91 18.382 -11.390 28.512 1.00 14.31 C ATOM 1383 O GLU A 91 18.250 -10.205 28.205 1.00 5.42 O ATOM 1384 CB GLU A 91 19.157 -12.132 30.772 1.00 2.20 C ATOM 1385 CG GLU A 91 17.905 -11.376 31.183 1.00 74.14 C ATOM 1386 CD GLU A 91 17.652 -11.433 32.677 1.00 61.33 C ATOM 1387 OE1 GLU A 91 18.538 -11.002 33.444 1.00 13.43 O ATOM 1388 OE2 GLU A 91 16.570 -11.910 33.078 1.00 0.44 O ATOM 0 H GLU A 91 20.377 -9.941 29.359 1.00 51.31 H new ATOM 0 HA GLU A 91 19.933 -12.813 28.887 1.00 61.12 H new ATOM 0 HB2 GLU A 91 18.989 -13.200 30.911 1.00 2.20 H new ATOM 0 HB3 GLU A 91 19.976 -11.849 31.434 1.00 2.20 H new ATOM 0 HG2 GLU A 91 17.996 -10.335 30.873 1.00 74.14 H new ATOM 0 HG3 GLU A 91 17.045 -11.791 30.657 1.00 74.14 H new ATOM 1395 N PRO A 92 17.487 -12.323 28.156 1.00 61.53 N ATOM 1396 CA PRO A 92 16.285 -12.012 27.376 1.00 45.10 C ATOM 1397 C PRO A 92 15.269 -11.203 28.175 1.00 23.53 C ATOM 1398 O PRO A 92 15.178 -11.336 29.396 1.00 70.10 O ATOM 1399 CB PRO A 92 15.719 -13.391 27.031 1.00 70.50 C ATOM 1400 CG PRO A 92 16.226 -14.289 28.106 1.00 25.12 C ATOM 1401 CD PRO A 92 17.580 -13.755 28.487 1.00 73.32 C ATOM 0 HA PRO A 92 16.512 -11.400 26.503 1.00 45.10 H new ATOM 0 HB2 PRO A 92 14.629 -13.377 27.008 1.00 70.50 H new ATOM 0 HB3 PRO A 92 16.054 -13.722 26.048 1.00 70.50 H new ATOM 0 HG2 PRO A 92 15.552 -14.291 28.963 1.00 25.12 H new ATOM 0 HG3 PRO A 92 16.297 -15.318 27.754 1.00 25.12 H new ATOM 0 HD2 PRO A 92 17.790 -13.910 29.545 1.00 73.32 H new ATOM 0 HD3 PRO A 92 18.377 -14.246 27.929 1.00 73.32 H new ATOM 1409 N TYR A 93 14.507 -10.367 27.480 1.00 45.42 N ATOM 1410 CA TYR A 93 13.499 -9.535 28.126 1.00 73.14 C ATOM 1411 C TYR A 93 12.216 -9.496 27.301 1.00 52.41 C ATOM 1412 O TYR A 93 12.196 -9.909 26.141 1.00 13.42 O ATOM 1413 CB TYR A 93 14.031 -8.116 28.329 1.00 45.21 C ATOM 1414 CG TYR A 93 15.104 -7.724 27.338 1.00 42.00 C ATOM 1415 CD1 TYR A 93 16.438 -8.039 27.567 1.00 72.12 C ATOM 1416 CD2 TYR A 93 14.784 -7.039 26.172 1.00 33.31 C ATOM 1417 CE1 TYR A 93 17.421 -7.682 26.665 1.00 61.35 C ATOM 1418 CE2 TYR A 93 15.760 -6.680 25.263 1.00 2.24 C ATOM 1419 CZ TYR A 93 17.077 -7.003 25.514 1.00 24.13 C ATOM 1420 OH TYR A 93 18.054 -6.647 24.612 1.00 32.23 O ATOM 0 H TYR A 93 14.568 -10.247 26.469 1.00 45.42 H new ATOM 0 HA TYR A 93 13.272 -9.973 29.098 1.00 73.14 H new ATOM 0 HB2 TYR A 93 13.202 -7.412 28.252 1.00 45.21 H new ATOM 0 HB3 TYR A 93 14.431 -8.028 29.339 1.00 45.21 H new ATOM 0 HD1 TYR A 93 16.711 -8.572 28.466 1.00 72.12 H new ATOM 0 HD2 TYR A 93 13.754 -6.783 25.973 1.00 33.31 H new ATOM 0 HE1 TYR A 93 18.453 -7.933 26.859 1.00 61.35 H new ATOM 0 HE2 TYR A 93 15.493 -6.149 24.361 1.00 2.24 H new ATOM 0 HH TYR A 93 17.638 -6.397 23.761 1.00 32.23 H new ATOM 1430 N LYS A 94 11.145 -8.995 27.908 1.00 43.30 N ATOM 1431 CA LYS A 94 9.857 -8.898 27.232 1.00 41.20 C ATOM 1432 C LYS A 94 9.512 -7.444 26.925 1.00 72.13 C ATOM 1433 O LYS A 94 9.822 -6.543 27.706 1.00 71.34 O ATOM 1434 CB LYS A 94 8.758 -9.523 28.093 1.00 35.14 C ATOM 1435 CG LYS A 94 7.410 -9.601 27.397 1.00 12.13 C ATOM 1436 CD LYS A 94 6.370 -8.741 28.097 1.00 64.21 C ATOM 1437 CE LYS A 94 6.057 -9.268 29.489 1.00 74.23 C ATOM 1438 NZ LYS A 94 4.595 -9.252 29.772 1.00 54.45 N ATOM 0 H LYS A 94 11.144 -8.650 28.868 1.00 43.30 H new ATOM 0 HA LYS A 94 9.927 -9.443 26.291 1.00 41.20 H new ATOM 0 HB2 LYS A 94 9.065 -10.527 28.386 1.00 35.14 H new ATOM 0 HB3 LYS A 94 8.651 -8.942 29.009 1.00 35.14 H new ATOM 0 HG2 LYS A 94 7.515 -9.276 26.362 1.00 12.13 H new ATOM 0 HG3 LYS A 94 7.071 -10.637 27.374 1.00 12.13 H new ATOM 0 HD2 LYS A 94 6.732 -7.715 28.168 1.00 64.21 H new ATOM 0 HD3 LYS A 94 5.457 -8.716 27.502 1.00 64.21 H new ATOM 0 HE2 LYS A 94 6.434 -10.286 29.585 1.00 74.23 H new ATOM 0 HE3 LYS A 94 6.577 -8.663 30.232 1.00 74.23 H new ATOM 0 HZ1 LYS A 94 4.423 -9.618 30.730 1.00 54.45 H new ATOM 0 HZ2 LYS A 94 4.239 -8.277 29.705 1.00 54.45 H new ATOM 0 HZ3 LYS A 94 4.101 -9.849 29.079 1.00 54.45 H new ATOM 1452 N LEU A 95 8.868 -7.222 25.784 1.00 34.24 N ATOM 1453 CA LEU A 95 8.478 -5.877 25.375 1.00 64.33 C ATOM 1454 C LEU A 95 6.971 -5.788 25.162 1.00 14.33 C ATOM 1455 O LEU A 95 6.358 -6.694 24.598 1.00 35.00 O ATOM 1456 CB LEU A 95 9.210 -5.482 24.091 1.00 61.11 C ATOM 1457 CG LEU A 95 8.526 -4.422 23.227 1.00 34.13 C ATOM 1458 CD1 LEU A 95 8.397 -3.113 23.991 1.00 72.21 C ATOM 1459 CD2 LEU A 95 9.295 -4.212 21.931 1.00 12.02 C ATOM 0 H LEU A 95 8.605 -7.956 25.126 1.00 34.24 H new ATOM 0 HA LEU A 95 8.755 -5.187 26.172 1.00 64.33 H new ATOM 0 HB2 LEU A 95 10.202 -5.118 24.359 1.00 61.11 H new ATOM 0 HB3 LEU A 95 9.352 -6.378 23.487 1.00 61.11 H new ATOM 0 HG LEU A 95 7.525 -4.774 22.978 1.00 34.13 H new ATOM 0 HD11 LEU A 95 7.908 -2.370 23.361 1.00 72.21 H new ATOM 0 HD12 LEU A 95 7.802 -3.274 24.890 1.00 72.21 H new ATOM 0 HD13 LEU A 95 9.388 -2.756 24.270 1.00 72.21 H new ATOM 0 HD21 LEU A 95 8.793 -3.454 21.329 1.00 12.02 H new ATOM 0 HD22 LEU A 95 10.309 -3.882 22.159 1.00 12.02 H new ATOM 0 HD23 LEU A 95 9.335 -5.149 21.376 1.00 12.02 H new ATOM 1471 N VAL A 96 6.378 -4.688 25.616 1.00 5.44 N ATOM 1472 CA VAL A 96 4.943 -4.478 25.473 1.00 12.52 C ATOM 1473 C VAL A 96 4.643 -3.086 24.927 1.00 32.04 C ATOM 1474 O VAL A 96 4.949 -2.078 25.565 1.00 45.42 O ATOM 1475 CB VAL A 96 4.212 -4.658 26.817 1.00 23.31 C ATOM 1476 CG1 VAL A 96 2.705 -4.610 26.617 1.00 63.34 C ATOM 1477 CG2 VAL A 96 4.629 -5.963 27.478 1.00 22.42 C ATOM 0 H VAL A 96 6.870 -3.928 26.086 1.00 5.44 H new ATOM 0 HA VAL A 96 4.583 -5.228 24.769 1.00 12.52 H new ATOM 0 HB VAL A 96 4.492 -3.837 27.476 1.00 23.31 H new ATOM 0 HG11 VAL A 96 2.206 -4.739 27.578 1.00 63.34 H new ATOM 0 HG12 VAL A 96 2.425 -3.647 26.189 1.00 63.34 H new ATOM 0 HG13 VAL A 96 2.402 -5.409 25.941 1.00 63.34 H new ATOM 0 HG21 VAL A 96 4.103 -6.075 28.426 1.00 22.42 H new ATOM 0 HG22 VAL A 96 4.379 -6.798 26.824 1.00 22.42 H new ATOM 0 HG23 VAL A 96 5.704 -5.952 27.658 1.00 22.42 H new ATOM 1487 N LEU A 97 4.041 -3.038 23.744 1.00 10.11 N ATOM 1488 CA LEU A 97 3.698 -1.769 23.111 1.00 20.12 C ATOM 1489 C LEU A 97 2.193 -1.663 22.884 1.00 4.24 C ATOM 1490 O LEU A 97 1.549 -2.621 22.457 1.00 62.42 O ATOM 1491 CB LEU A 97 4.437 -1.624 21.780 1.00 64.41 C ATOM 1492 CG LEU A 97 5.489 -0.516 21.713 1.00 20.31 C ATOM 1493 CD1 LEU A 97 6.717 -0.991 20.951 1.00 13.23 C ATOM 1494 CD2 LEU A 97 4.908 0.733 21.067 1.00 75.54 C ATOM 0 H LEU A 97 3.780 -3.863 23.204 1.00 10.11 H new ATOM 0 HA LEU A 97 4.004 -0.964 23.779 1.00 20.12 H new ATOM 0 HB2 LEU A 97 4.923 -2.573 21.552 1.00 64.41 H new ATOM 0 HB3 LEU A 97 3.701 -1.446 20.996 1.00 64.41 H new ATOM 0 HG LEU A 97 5.792 -0.267 22.730 1.00 20.31 H new ATOM 0 HD11 LEU A 97 7.455 -0.189 20.914 1.00 13.23 H new ATOM 0 HD12 LEU A 97 7.147 -1.856 21.456 1.00 13.23 H new ATOM 0 HD13 LEU A 97 6.431 -1.268 19.936 1.00 13.23 H new ATOM 0 HD21 LEU A 97 5.671 1.511 21.028 1.00 75.54 H new ATOM 0 HD22 LEU A 97 4.576 0.499 20.055 1.00 75.54 H new ATOM 0 HD23 LEU A 97 4.060 1.086 21.654 1.00 75.54 H new ATOM 1506 N THR A 98 1.638 -0.490 23.172 1.00 41.53 N ATOM 1507 CA THR A 98 0.210 -0.257 22.998 1.00 32.04 C ATOM 1508 C THR A 98 -0.047 1.013 22.196 1.00 50.31 C ATOM 1509 O THR A 98 0.412 2.095 22.564 1.00 71.04 O ATOM 1510 CB THR A 98 -0.510 -0.148 24.356 1.00 52.43 C ATOM 1511 OG1 THR A 98 -0.101 -1.218 25.215 1.00 54.31 O ATOM 1512 CG2 THR A 98 -2.020 -0.186 24.172 1.00 21.41 C ATOM 0 H THR A 98 2.156 0.314 23.527 1.00 41.53 H new ATOM 0 HA THR A 98 -0.186 -1.113 22.452 1.00 32.04 H new ATOM 0 HB THR A 98 -0.239 0.805 24.811 1.00 52.43 H new ATOM 0 HG1 THR A 98 -0.562 -1.140 26.076 1.00 54.31 H new ATOM 0 HG21 THR A 98 -2.507 -0.108 25.144 1.00 21.41 H new ATOM 0 HG22 THR A 98 -2.331 0.647 23.542 1.00 21.41 H new ATOM 0 HG23 THR A 98 -2.305 -1.125 23.698 1.00 21.41 H new ATOM 1520 N TYR A 99 -0.783 0.876 21.099 1.00 73.51 N ATOM 1521 CA TYR A 99 -1.100 2.013 20.243 1.00 21.21 C ATOM 1522 C TYR A 99 -2.589 2.338 20.298 1.00 15.13 C ATOM 1523 O TYR A 99 -3.433 1.443 20.246 1.00 41.53 O ATOM 1524 CB TYR A 99 -0.683 1.724 18.800 1.00 22.32 C ATOM 1525 CG TYR A 99 0.235 0.530 18.663 1.00 42.12 C ATOM 1526 CD1 TYR A 99 1.555 0.591 19.094 1.00 72.21 C ATOM 1527 CD2 TYR A 99 -0.216 -0.658 18.101 1.00 13.32 C ATOM 1528 CE1 TYR A 99 2.398 -0.497 18.970 1.00 55.11 C ATOM 1529 CE2 TYR A 99 0.619 -1.751 17.975 1.00 52.24 C ATOM 1530 CZ TYR A 99 1.925 -1.665 18.410 1.00 32.41 C ATOM 1531 OH TYR A 99 2.760 -2.752 18.284 1.00 2.44 O ATOM 0 H TYR A 99 -1.172 -0.012 20.781 1.00 73.51 H new ATOM 0 HA TYR A 99 -0.544 2.876 20.609 1.00 21.21 H new ATOM 0 HB2 TYR A 99 -1.577 1.556 18.199 1.00 22.32 H new ATOM 0 HB3 TYR A 99 -0.185 2.603 18.391 1.00 22.32 H new ATOM 0 HD1 TYR A 99 1.928 1.504 19.533 1.00 72.21 H new ATOM 0 HD2 TYR A 99 -1.237 -0.728 17.757 1.00 13.32 H new ATOM 0 HE1 TYR A 99 3.421 -0.433 19.310 1.00 55.11 H new ATOM 0 HE2 TYR A 99 0.251 -2.668 17.538 1.00 52.24 H new ATOM 0 HH TYR A 99 3.425 -2.739 19.004 1.00 2.44 H new ATOM 1541 N GLN A 100 -2.904 3.625 20.404 1.00 42.22 N ATOM 1542 CA GLN A 100 -4.291 4.070 20.466 1.00 31.53 C ATOM 1543 C GLN A 100 -4.427 5.503 19.965 1.00 45.52 C ATOM 1544 O GLN A 100 -3.764 6.412 20.465 1.00 75.20 O ATOM 1545 CB GLN A 100 -4.818 3.966 21.899 1.00 70.34 C ATOM 1546 CG GLN A 100 -6.297 4.294 22.028 1.00 4.22 C ATOM 1547 CD GLN A 100 -6.539 5.703 22.532 1.00 54.31 C ATOM 1548 OE1 GLN A 100 -6.094 6.677 21.925 1.00 50.55 O ATOM 1549 NE2 GLN A 100 -7.249 5.819 23.648 1.00 12.22 N ATOM 0 H GLN A 100 -2.217 4.378 20.449 1.00 42.22 H new ATOM 0 HA GLN A 100 -4.883 3.422 19.820 1.00 31.53 H new ATOM 0 HB2 GLN A 100 -4.645 2.955 22.269 1.00 70.34 H new ATOM 0 HB3 GLN A 100 -4.248 4.641 22.537 1.00 70.34 H new ATOM 0 HG2 GLN A 100 -6.779 4.171 21.058 1.00 4.22 H new ATOM 0 HG3 GLN A 100 -6.765 3.583 22.709 1.00 4.22 H new ATOM 0 HE21 GLN A 100 -7.599 4.985 24.119 1.00 12.22 H new ATOM 0 HE22 GLN A 100 -7.445 6.743 24.034 1.00 12.22 H new ATOM 1558 N GLY A 101 -5.289 5.699 18.972 1.00 14.32 N ATOM 1559 CA GLY A 101 -5.495 7.025 18.419 1.00 13.11 C ATOM 1560 C GLY A 101 -6.764 7.119 17.595 1.00 70.21 C ATOM 1561 O GLY A 101 -7.724 6.387 17.836 1.00 52.04 O ATOM 0 H GLY A 101 -5.848 4.963 18.541 1.00 14.32 H new ATOM 0 HA2 GLY A 101 -5.538 7.751 19.231 1.00 13.11 H new ATOM 0 HA3 GLY A 101 -4.641 7.293 17.797 1.00 13.11 H new ATOM 1565 N SER A 102 -6.770 8.023 16.621 1.00 65.14 N ATOM 1566 CA SER A 102 -7.932 8.214 15.761 1.00 32.34 C ATOM 1567 C SER A 102 -7.505 8.568 14.340 1.00 12.43 C ATOM 1568 O SER A 102 -6.351 8.919 14.097 1.00 60.14 O ATOM 1569 CB SER A 102 -8.834 9.314 16.325 1.00 61.23 C ATOM 1570 OG SER A 102 -9.134 10.283 15.336 1.00 52.33 O ATOM 0 H SER A 102 -5.983 8.635 16.407 1.00 65.14 H new ATOM 0 HA SER A 102 -8.489 7.277 15.730 1.00 32.34 H new ATOM 0 HB2 SER A 102 -9.758 8.874 16.700 1.00 61.23 H new ATOM 0 HB3 SER A 102 -8.342 9.794 17.171 1.00 61.23 H new ATOM 0 HG SER A 102 -8.542 11.056 15.446 1.00 52.33 H new ATOM 1576 N ALA A 103 -8.445 8.474 13.406 1.00 54.42 N ATOM 1577 CA ALA A 103 -8.168 8.787 12.009 1.00 35.23 C ATOM 1578 C ALA A 103 -8.345 10.276 11.735 1.00 42.35 C ATOM 1579 O ALA A 103 -9.272 10.905 12.244 1.00 22.32 O ATOM 1580 CB ALA A 103 -9.071 7.969 11.097 1.00 44.34 C ATOM 0 H ALA A 103 -9.405 8.184 13.591 1.00 54.42 H new ATOM 0 HA ALA A 103 -7.130 8.528 11.802 1.00 35.23 H new ATOM 0 HB1 ALA A 103 -8.854 8.212 10.057 1.00 44.34 H new ATOM 0 HB2 ALA A 103 -8.893 6.907 11.266 1.00 44.34 H new ATOM 0 HB3 ALA A 103 -10.114 8.201 11.314 1.00 44.34 H new ATOM 1586 N GLU A 104 -7.449 10.835 10.927 1.00 62.44 N ATOM 1587 CA GLU A 104 -7.506 12.251 10.586 1.00 1.44 C ATOM 1588 C GLU A 104 -8.843 12.603 9.941 1.00 35.52 C ATOM 1589 O GLU A 104 -9.253 13.763 9.929 1.00 32.23 O ATOM 1590 CB GLU A 104 -6.360 12.618 9.642 1.00 44.53 C ATOM 1591 CG GLU A 104 -5.282 13.468 10.294 1.00 50.53 C ATOM 1592 CD GLU A 104 -4.999 14.743 9.523 1.00 3.31 C ATOM 1593 OE1 GLU A 104 -5.968 15.414 9.111 1.00 51.24 O ATOM 1594 OE2 GLU A 104 -3.809 15.070 9.332 1.00 22.03 O ATOM 0 H GLU A 104 -6.675 10.328 10.497 1.00 62.44 H new ATOM 0 HA GLU A 104 -7.405 12.824 11.508 1.00 1.44 H new ATOM 0 HB2 GLU A 104 -5.908 11.703 9.260 1.00 44.53 H new ATOM 0 HB3 GLU A 104 -6.765 13.155 8.784 1.00 44.53 H new ATOM 0 HG2 GLU A 104 -5.589 13.722 11.309 1.00 50.53 H new ATOM 0 HG3 GLU A 104 -4.364 12.885 10.375 1.00 50.53 H new ATOM 1601 N ALA A 105 -9.519 11.591 9.405 1.00 3.12 N ATOM 1602 CA ALA A 105 -10.810 11.792 8.759 1.00 30.34 C ATOM 1603 C ALA A 105 -11.911 12.012 9.791 1.00 52.20 C ATOM 1604 O ALA A 105 -12.900 12.693 9.522 1.00 72.43 O ATOM 1605 CB ALA A 105 -11.146 10.603 7.871 1.00 34.14 C ATOM 0 H ALA A 105 -9.194 10.624 9.406 1.00 3.12 H new ATOM 0 HA ALA A 105 -10.744 12.687 8.140 1.00 30.34 H new ATOM 0 HB1 ALA A 105 -12.113 10.766 7.395 1.00 34.14 H new ATOM 0 HB2 ALA A 105 -10.378 10.492 7.105 1.00 34.14 H new ATOM 0 HB3 ALA A 105 -11.188 9.697 8.476 1.00 34.14 H new ATOM 1611 N GLY A 106 -11.733 11.431 10.974 1.00 52.33 N ATOM 1612 CA GLY A 106 -12.721 11.576 12.027 1.00 24.23 C ATOM 1613 C GLY A 106 -13.237 10.240 12.525 1.00 3.43 C ATOM 1614 O GLY A 106 -14.437 10.071 12.740 1.00 51.32 O ATOM 0 H GLY A 106 -10.923 10.863 11.222 1.00 52.33 H new ATOM 0 HA2 GLY A 106 -12.282 12.126 12.860 1.00 24.23 H new ATOM 0 HA3 GLY A 106 -13.557 12.170 11.658 1.00 24.23 H new ATOM 1618 N VAL A 107 -12.328 9.287 12.709 1.00 52.54 N ATOM 1619 CA VAL A 107 -12.698 7.960 13.184 1.00 71.31 C ATOM 1620 C VAL A 107 -11.980 7.622 14.486 1.00 53.41 C ATOM 1621 O VAL A 107 -10.819 7.984 14.678 1.00 1.42 O ATOM 1622 CB VAL A 107 -12.374 6.878 12.136 1.00 5.05 C ATOM 1623 CG1 VAL A 107 -12.621 5.490 12.708 1.00 43.13 C ATOM 1624 CG2 VAL A 107 -13.192 7.097 10.873 1.00 15.34 C ATOM 0 H VAL A 107 -11.330 9.410 12.536 1.00 52.54 H new ATOM 0 HA VAL A 107 -13.774 7.975 13.359 1.00 71.31 H new ATOM 0 HB VAL A 107 -11.319 6.955 11.875 1.00 5.05 H new ATOM 0 HG11 VAL A 107 -12.387 4.739 11.954 1.00 43.13 H new ATOM 0 HG12 VAL A 107 -11.986 5.338 13.581 1.00 43.13 H new ATOM 0 HG13 VAL A 107 -13.667 5.398 13.000 1.00 43.13 H new ATOM 0 HG21 VAL A 107 -12.950 6.324 10.144 1.00 15.34 H new ATOM 0 HG22 VAL A 107 -14.254 7.049 11.114 1.00 15.34 H new ATOM 0 HG23 VAL A 107 -12.959 8.076 10.454 1.00 15.34 H new ATOM 1634 N CYS A 108 -12.678 6.927 15.377 1.00 55.04 N ATOM 1635 CA CYS A 108 -12.108 6.540 16.662 1.00 1.32 C ATOM 1636 C CYS A 108 -12.107 5.024 16.823 1.00 73.45 C ATOM 1637 O CYS A 108 -13.164 4.396 16.889 1.00 33.34 O ATOM 1638 CB CYS A 108 -12.891 7.186 17.806 1.00 31.02 C ATOM 1639 SG CYS A 108 -11.891 7.562 19.265 1.00 35.01 S ATOM 0 H CYS A 108 -13.640 6.620 15.233 1.00 55.04 H new ATOM 0 HA CYS A 108 -11.076 6.891 16.694 1.00 1.32 H new ATOM 0 HB2 CYS A 108 -13.348 8.107 17.445 1.00 31.02 H new ATOM 0 HB3 CYS A 108 -13.703 6.520 18.097 1.00 31.02 H new ATOM 0 HG CYS A 108 -12.641 8.107 20.176 1.00 35.01 H new ATOM 1645 N TYR A 109 -10.915 4.441 16.882 1.00 31.10 N ATOM 1646 CA TYR A 109 -10.777 2.997 17.030 1.00 24.02 C ATOM 1647 C TYR A 109 -10.224 2.641 18.407 1.00 43.12 C ATOM 1648 O TYR A 109 -9.606 3.461 19.087 1.00 33.32 O ATOM 1649 CB TYR A 109 -9.861 2.437 15.940 1.00 33.22 C ATOM 1650 CG TYR A 109 -8.668 3.316 15.641 1.00 71.13 C ATOM 1651 CD1 TYR A 109 -8.768 4.376 14.748 1.00 74.01 C ATOM 1652 CD2 TYR A 109 -7.441 3.086 16.249 1.00 4.14 C ATOM 1653 CE1 TYR A 109 -7.681 5.182 14.470 1.00 22.55 C ATOM 1654 CE2 TYR A 109 -6.348 3.887 15.979 1.00 12.31 C ATOM 1655 CZ TYR A 109 -6.473 4.933 15.089 1.00 52.50 C ATOM 1656 OH TYR A 109 -5.387 5.733 14.816 1.00 0.00 O ATOM 0 H TYR A 109 -10.030 4.946 16.830 1.00 31.10 H new ATOM 0 HA TYR A 109 -11.766 2.551 16.929 1.00 24.02 H new ATOM 0 HB2 TYR A 109 -9.508 1.452 16.244 1.00 33.22 H new ATOM 0 HB3 TYR A 109 -10.439 2.300 15.026 1.00 33.22 H new ATOM 0 HD1 TYR A 109 -9.712 4.573 14.263 1.00 74.01 H new ATOM 0 HD2 TYR A 109 -7.339 2.267 16.945 1.00 4.14 H new ATOM 0 HE1 TYR A 109 -7.776 6.001 13.773 1.00 22.55 H new ATOM 0 HE2 TYR A 109 -5.401 3.695 16.462 1.00 12.31 H new ATOM 0 HH TYR A 109 -4.615 5.424 15.334 1.00 0.00 H new ATOM 1666 N PRO A 110 -10.449 1.388 18.828 1.00 74.21 N ATOM 1667 CA PRO A 110 -9.982 0.893 20.126 1.00 64.51 C ATOM 1668 C PRO A 110 -8.465 0.741 20.176 1.00 31.22 C ATOM 1669 O PRO A 110 -7.781 0.755 19.152 1.00 35.23 O ATOM 1670 CB PRO A 110 -10.660 -0.474 20.250 1.00 51.04 C ATOM 1671 CG PRO A 110 -10.908 -0.902 18.845 1.00 73.35 C ATOM 1672 CD PRO A 110 -11.178 0.358 18.069 1.00 32.52 C ATOM 0 HA PRO A 110 -10.226 1.580 20.936 1.00 64.51 H new ATOM 0 HB2 PRO A 110 -10.023 -1.186 20.774 1.00 51.04 H new ATOM 0 HB3 PRO A 110 -11.591 -0.405 20.813 1.00 51.04 H new ATOM 0 HG2 PRO A 110 -10.046 -1.432 18.441 1.00 73.35 H new ATOM 0 HG3 PRO A 110 -11.756 -1.584 18.789 1.00 73.35 H new ATOM 0 HD2 PRO A 110 -10.817 0.284 17.043 1.00 32.52 H new ATOM 0 HD3 PRO A 110 -12.244 0.577 18.016 1.00 32.52 H new ATOM 1680 N PRO A 111 -7.925 0.592 21.395 1.00 64.34 N ATOM 1681 CA PRO A 111 -6.483 0.433 21.607 1.00 42.40 C ATOM 1682 C PRO A 111 -5.967 -0.912 21.106 1.00 13.43 C ATOM 1683 O PRO A 111 -6.704 -1.898 21.075 1.00 1.52 O ATOM 1684 CB PRO A 111 -6.336 0.530 23.128 1.00 65.04 C ATOM 1685 CG PRO A 111 -7.659 0.107 23.664 1.00 74.10 C ATOM 1686 CD PRO A 111 -8.679 0.566 22.659 1.00 73.42 C ATOM 0 HA PRO A 111 -5.906 1.179 21.060 1.00 42.40 H new ATOM 0 HB2 PRO A 111 -5.537 -0.117 23.491 1.00 65.04 H new ATOM 0 HB3 PRO A 111 -6.090 1.546 23.438 1.00 65.04 H new ATOM 0 HG2 PRO A 111 -7.699 -0.974 23.795 1.00 74.10 H new ATOM 0 HG3 PRO A 111 -7.845 0.554 24.641 1.00 74.10 H new ATOM 0 HD2 PRO A 111 -9.527 -0.117 22.607 1.00 73.42 H new ATOM 0 HD3 PRO A 111 -9.076 1.549 22.910 1.00 73.42 H new ATOM 1694 N VAL A 112 -4.697 -0.945 20.715 1.00 33.13 N ATOM 1695 CA VAL A 112 -4.083 -2.170 20.217 1.00 3.14 C ATOM 1696 C VAL A 112 -2.811 -2.501 20.991 1.00 14.30 C ATOM 1697 O VAL A 112 -1.833 -1.755 20.946 1.00 40.24 O ATOM 1698 CB VAL A 112 -3.744 -2.059 18.719 1.00 75.12 C ATOM 1699 CG1 VAL A 112 -3.290 -3.404 18.173 1.00 74.21 C ATOM 1700 CG2 VAL A 112 -4.942 -1.535 17.940 1.00 23.02 C ATOM 0 H VAL A 112 -4.074 -0.138 20.733 1.00 33.13 H new ATOM 0 HA VAL A 112 -4.810 -2.969 20.359 1.00 3.14 H new ATOM 0 HB VAL A 112 -2.924 -1.351 18.601 1.00 75.12 H new ATOM 0 HG11 VAL A 112 -3.055 -3.306 17.113 1.00 74.21 H new ATOM 0 HG12 VAL A 112 -2.403 -3.735 18.712 1.00 74.21 H new ATOM 0 HG13 VAL A 112 -4.087 -4.137 18.302 1.00 74.21 H new ATOM 0 HG21 VAL A 112 -4.685 -1.463 16.883 1.00 23.02 H new ATOM 0 HG22 VAL A 112 -5.783 -2.217 18.063 1.00 23.02 H new ATOM 0 HG23 VAL A 112 -5.217 -0.549 18.315 1.00 23.02 H new ATOM 1710 N ASP A 113 -2.833 -3.624 21.700 1.00 5.33 N ATOM 1711 CA ASP A 113 -1.680 -4.055 22.483 1.00 35.24 C ATOM 1712 C ASP A 113 -0.895 -5.135 21.745 1.00 0.41 C ATOM 1713 O ASP A 113 -1.474 -6.060 21.175 1.00 34.05 O ATOM 1714 CB ASP A 113 -2.132 -4.579 23.848 1.00 44.41 C ATOM 1715 CG ASP A 113 -1.103 -5.490 24.487 1.00 23.23 C ATOM 1716 OD1 ASP A 113 0.077 -5.089 24.567 1.00 50.02 O ATOM 1717 OD2 ASP A 113 -1.477 -6.605 24.908 1.00 71.35 O ATOM 0 H ASP A 113 -3.635 -4.252 21.749 1.00 5.33 H new ATOM 0 HA ASP A 113 -1.028 -3.194 22.630 1.00 35.24 H new ATOM 0 HB2 ASP A 113 -2.328 -3.736 24.511 1.00 44.41 H new ATOM 0 HB3 ASP A 113 -3.071 -5.120 23.734 1.00 44.41 H new ATOM 1722 N THR A 114 0.429 -5.009 21.758 1.00 74.53 N ATOM 1723 CA THR A 114 1.294 -5.972 21.088 1.00 73.12 C ATOM 1724 C THR A 114 2.578 -6.200 21.877 1.00 13.02 C ATOM 1725 O THR A 114 3.284 -5.251 22.218 1.00 75.51 O ATOM 1726 CB THR A 114 1.655 -5.507 19.664 1.00 22.25 C ATOM 1727 OG1 THR A 114 0.913 -4.329 19.330 1.00 35.44 O ATOM 1728 CG2 THR A 114 1.365 -6.601 18.648 1.00 63.12 C ATOM 0 H THR A 114 0.925 -4.250 22.225 1.00 74.53 H new ATOM 0 HA THR A 114 0.738 -6.907 21.027 1.00 73.12 H new ATOM 0 HB THR A 114 2.721 -5.283 19.638 1.00 22.25 H new ATOM 0 HG1 THR A 114 1.455 -3.755 18.749 1.00 35.44 H new ATOM 0 HG21 THR A 114 1.628 -6.250 17.650 1.00 63.12 H new ATOM 0 HG22 THR A 114 1.954 -7.486 18.888 1.00 63.12 H new ATOM 0 HG23 THR A 114 0.305 -6.852 18.677 1.00 63.12 H new ATOM 1736 N GLU A 115 2.874 -7.464 22.164 1.00 43.21 N ATOM 1737 CA GLU A 115 4.075 -7.815 22.914 1.00 54.31 C ATOM 1738 C GLU A 115 5.134 -8.416 21.995 1.00 72.50 C ATOM 1739 O GLU A 115 4.814 -9.134 21.047 1.00 21.42 O ATOM 1740 CB GLU A 115 3.734 -8.802 24.032 1.00 13.33 C ATOM 1741 CG GLU A 115 3.016 -8.163 25.210 1.00 73.45 C ATOM 1742 CD GLU A 115 1.538 -7.949 24.945 1.00 30.32 C ATOM 1743 OE1 GLU A 115 1.034 -8.476 23.932 1.00 54.24 O ATOM 1744 OE2 GLU A 115 0.886 -7.255 25.753 1.00 0.02 O ATOM 0 H GLU A 115 2.300 -8.261 21.889 1.00 43.21 H new ATOM 0 HA GLU A 115 4.477 -6.903 23.355 1.00 54.31 H new ATOM 0 HB2 GLU A 115 3.110 -9.598 23.625 1.00 13.33 H new ATOM 0 HB3 GLU A 115 4.653 -9.268 24.387 1.00 13.33 H new ATOM 0 HG2 GLU A 115 3.136 -8.795 26.090 1.00 73.45 H new ATOM 0 HG3 GLU A 115 3.483 -7.205 25.439 1.00 73.45 H new ATOM 1751 N PHE A 116 6.397 -8.118 22.282 1.00 15.21 N ATOM 1752 CA PHE A 116 7.504 -8.627 21.481 1.00 33.34 C ATOM 1753 C PHE A 116 8.570 -9.262 22.369 1.00 30.13 C ATOM 1754 O PHE A 116 9.064 -8.637 23.308 1.00 64.13 O ATOM 1755 CB PHE A 116 8.121 -7.500 20.650 1.00 33.44 C ATOM 1756 CG PHE A 116 7.128 -6.787 19.777 1.00 3.15 C ATOM 1757 CD1 PHE A 116 6.646 -7.383 18.623 1.00 22.04 C ATOM 1758 CD2 PHE A 116 6.678 -5.520 20.111 1.00 40.42 C ATOM 1759 CE1 PHE A 116 5.733 -6.729 17.818 1.00 34.31 C ATOM 1760 CE2 PHE A 116 5.764 -4.861 19.310 1.00 63.23 C ATOM 1761 CZ PHE A 116 5.292 -5.466 18.161 1.00 31.23 C ATOM 0 H PHE A 116 6.679 -7.526 23.064 1.00 15.21 H new ATOM 0 HA PHE A 116 7.113 -9.391 20.809 1.00 33.34 H new ATOM 0 HB2 PHE A 116 8.587 -6.778 21.321 1.00 33.44 H new ATOM 0 HB3 PHE A 116 8.913 -7.912 20.024 1.00 33.44 H new ATOM 0 HD1 PHE A 116 6.988 -8.370 18.349 1.00 22.04 H new ATOM 0 HD2 PHE A 116 7.045 -5.042 21.007 1.00 40.42 H new ATOM 0 HE1 PHE A 116 5.365 -7.205 16.921 1.00 34.31 H new ATOM 0 HE2 PHE A 116 5.419 -3.874 19.582 1.00 63.23 H new ATOM 0 HZ PHE A 116 4.580 -4.952 17.532 1.00 31.23 H new ATOM 1771 N ASP A 117 8.919 -10.508 22.066 1.00 12.40 N ATOM 1772 CA ASP A 117 9.927 -11.228 22.835 1.00 35.23 C ATOM 1773 C ASP A 117 11.326 -10.942 22.300 1.00 1.33 C ATOM 1774 O ASP A 117 11.634 -11.243 21.147 1.00 72.13 O ATOM 1775 CB ASP A 117 9.650 -12.732 22.796 1.00 10.00 C ATOM 1776 CG ASP A 117 8.689 -13.172 23.883 1.00 63.50 C ATOM 1777 OD1 ASP A 117 7.637 -12.520 24.044 1.00 30.02 O ATOM 1778 OD2 ASP A 117 8.990 -14.169 24.573 1.00 61.20 O ATOM 0 H ASP A 117 8.519 -11.040 21.293 1.00 12.40 H new ATOM 0 HA ASP A 117 9.876 -10.883 23.868 1.00 35.23 H new ATOM 0 HB2 ASP A 117 9.239 -12.998 21.822 1.00 10.00 H new ATOM 0 HB3 ASP A 117 10.589 -13.274 22.904 1.00 10.00 H new ATOM 1783 N ILE A 118 12.169 -10.358 23.145 1.00 12.53 N ATOM 1784 CA ILE A 118 13.535 -10.031 22.757 1.00 42.50 C ATOM 1785 C ILE A 118 14.526 -11.039 23.330 1.00 54.34 C ATOM 1786 O ILE A 118 14.517 -11.322 24.528 1.00 71.13 O ATOM 1787 CB ILE A 118 13.930 -8.617 23.224 1.00 24.35 C ATOM 1788 CG1 ILE A 118 12.774 -7.640 23.001 1.00 62.54 C ATOM 1789 CG2 ILE A 118 15.178 -8.147 22.492 1.00 50.31 C ATOM 1790 CD1 ILE A 118 12.341 -7.537 21.555 1.00 65.52 C ATOM 0 H ILE A 118 11.930 -10.102 24.103 1.00 12.53 H new ATOM 0 HA ILE A 118 13.571 -10.068 21.668 1.00 42.50 H new ATOM 0 HB ILE A 118 14.150 -8.651 24.291 1.00 24.35 H new ATOM 0 HG12 ILE A 118 11.923 -7.953 23.605 1.00 62.54 H new ATOM 0 HG13 ILE A 118 13.070 -6.652 23.355 1.00 62.54 H new ATOM 0 HG21 ILE A 118 15.445 -7.147 22.833 1.00 50.31 H new ATOM 0 HG22 ILE A 118 16.001 -8.832 22.698 1.00 50.31 H new ATOM 0 HG23 ILE A 118 14.984 -8.125 21.420 1.00 50.31 H new ATOM 0 HD11 ILE A 118 11.518 -6.827 21.471 1.00 65.52 H new ATOM 0 HD12 ILE A 118 13.179 -7.195 20.948 1.00 65.52 H new ATOM 0 HD13 ILE A 118 12.014 -8.515 21.203 1.00 65.52 H new ATOM 1802 N PHE A 119 15.380 -11.576 22.466 1.00 63.44 N ATOM 1803 CA PHE A 119 16.379 -12.553 22.885 1.00 12.11 C ATOM 1804 C PHE A 119 17.577 -12.545 21.941 1.00 64.12 C ATOM 1805 O PHE A 119 18.253 -13.559 21.769 1.00 2.25 O ATOM 1806 CB PHE A 119 15.764 -13.953 22.936 1.00 60.14 C ATOM 1807 CG PHE A 119 14.782 -14.217 21.830 1.00 15.44 C ATOM 1808 CD1 PHE A 119 15.142 -14.029 20.506 1.00 52.52 C ATOM 1809 CD2 PHE A 119 13.498 -14.652 22.116 1.00 15.23 C ATOM 1810 CE1 PHE A 119 14.240 -14.270 19.486 1.00 22.44 C ATOM 1811 CE2 PHE A 119 12.592 -14.896 21.101 1.00 11.32 C ATOM 1812 CZ PHE A 119 12.963 -14.704 19.785 1.00 43.43 C ATOM 0 H PHE A 119 15.401 -11.352 21.471 1.00 63.44 H new ATOM 0 HA PHE A 119 16.723 -12.279 23.882 1.00 12.11 H new ATOM 0 HB2 PHE A 119 16.562 -14.694 22.887 1.00 60.14 H new ATOM 0 HB3 PHE A 119 15.264 -14.087 23.895 1.00 60.14 H new ATOM 0 HD1 PHE A 119 16.139 -13.690 20.267 1.00 52.52 H new ATOM 0 HD2 PHE A 119 13.202 -14.802 23.144 1.00 15.23 H new ATOM 0 HE1 PHE A 119 14.533 -14.119 18.458 1.00 22.44 H new ATOM 0 HE2 PHE A 119 11.595 -15.237 21.337 1.00 11.32 H new ATOM 0 HZ PHE A 119 12.256 -14.893 18.991 1.00 43.43 H new ATOM 1822 N GLY A 120 17.834 -11.393 21.329 1.00 3.44 N ATOM 1823 CA GLY A 120 18.950 -11.274 20.409 1.00 3.44 C ATOM 1824 C GLY A 120 18.553 -11.564 18.976 1.00 62.33 C ATOM 1825 O GLY A 120 18.253 -12.705 18.627 1.00 32.21 O ATOM 0 H GLY A 120 17.289 -10.540 21.454 1.00 3.44 H new ATOM 0 HA2 GLY A 120 19.363 -10.267 20.472 1.00 3.44 H new ATOM 0 HA3 GLY A 120 19.740 -11.962 20.710 1.00 3.44 H new ATOM 1829 N ASN A 121 18.550 -10.529 18.143 1.00 42.35 N ATOM 1830 CA ASN A 121 18.185 -10.678 16.739 1.00 74.34 C ATOM 1831 C ASN A 121 18.295 -9.346 16.003 1.00 63.42 C ATOM 1832 O ASN A 121 18.673 -9.301 14.833 1.00 62.00 O ATOM 1833 CB ASN A 121 16.761 -11.225 16.616 1.00 13.54 C ATOM 1834 CG ASN A 121 16.611 -12.194 15.460 1.00 54.01 C ATOM 1835 OD1 ASN A 121 17.406 -12.185 14.521 1.00 43.15 O ATOM 1836 ND2 ASN A 121 15.586 -13.037 15.524 1.00 42.45 N ATOM 0 H ASN A 121 18.796 -9.578 18.416 1.00 42.35 H new ATOM 0 HA ASN A 121 18.879 -11.383 16.282 1.00 74.34 H new ATOM 0 HB2 ASN A 121 16.486 -11.726 17.544 1.00 13.54 H new ATOM 0 HB3 ASN A 121 16.066 -10.395 16.483 1.00 13.54 H new ATOM 0 HD21 ASN A 121 15.434 -13.712 14.775 1.00 42.45 H new ATOM 0 HD22 ASN A 121 14.952 -13.009 16.322 1.00 42.45 H new ATOM 1843 N GLY A 122 17.963 -8.263 16.698 1.00 0.21 N ATOM 1844 CA GLY A 122 18.032 -6.945 16.095 1.00 1.53 C ATOM 1845 C GLY A 122 16.673 -6.436 15.656 1.00 4.23 C ATOM 1846 O GLY A 122 16.092 -5.560 16.298 1.00 31.55 O ATOM 0 H GLY A 122 17.647 -8.275 17.668 1.00 0.21 H new ATOM 0 HA2 GLY A 122 18.466 -6.245 16.809 1.00 1.53 H new ATOM 0 HA3 GLY A 122 18.700 -6.977 15.234 1.00 1.53 H new ATOM 1850 N THR A 123 16.165 -6.984 14.557 1.00 51.31 N ATOM 1851 CA THR A 123 14.868 -6.578 14.031 1.00 74.33 C ATOM 1852 C THR A 123 13.786 -7.588 14.397 1.00 71.23 C ATOM 1853 O THR A 123 13.989 -8.798 14.287 1.00 43.52 O ATOM 1854 CB THR A 123 14.908 -6.418 12.499 1.00 34.42 C ATOM 1855 OG1 THR A 123 16.232 -6.076 12.077 1.00 64.12 O ATOM 1856 CG2 THR A 123 13.931 -5.346 12.041 1.00 11.34 C ATOM 0 H THR A 123 16.632 -7.710 14.014 1.00 51.31 H new ATOM 0 HA THR A 123 14.631 -5.615 14.483 1.00 74.33 H new ATOM 0 HB THR A 123 14.618 -7.367 12.049 1.00 34.42 H new ATOM 0 HG1 THR A 123 16.249 -5.978 11.102 1.00 64.12 H new ATOM 0 HG21 THR A 123 13.977 -5.251 10.956 1.00 11.34 H new ATOM 0 HG22 THR A 123 12.920 -5.624 12.338 1.00 11.34 H new ATOM 0 HG23 THR A 123 14.195 -4.393 12.500 1.00 11.34 H new ATOM 1864 N TYR A 124 12.636 -7.085 14.831 1.00 1.22 N ATOM 1865 CA TYR A 124 11.522 -7.944 15.215 1.00 2.21 C ATOM 1866 C TYR A 124 10.214 -7.442 14.612 1.00 11.41 C ATOM 1867 O TYR A 124 10.079 -6.261 14.287 1.00 31.52 O ATOM 1868 CB TYR A 124 11.403 -8.009 16.739 1.00 54.03 C ATOM 1869 CG TYR A 124 12.599 -8.640 17.414 1.00 63.34 C ATOM 1870 CD1 TYR A 124 13.812 -7.967 17.494 1.00 51.54 C ATOM 1871 CD2 TYR A 124 12.518 -9.911 17.970 1.00 11.32 C ATOM 1872 CE1 TYR A 124 14.908 -8.540 18.109 1.00 42.44 C ATOM 1873 CE2 TYR A 124 13.609 -10.491 18.588 1.00 15.24 C ATOM 1874 CZ TYR A 124 14.801 -9.802 18.655 1.00 44.41 C ATOM 1875 OH TYR A 124 15.891 -10.377 19.269 1.00 54.44 O ATOM 0 H TYR A 124 12.451 -6.086 14.926 1.00 1.22 H new ATOM 0 HA TYR A 124 11.718 -8.945 14.830 1.00 2.21 H new ATOM 0 HB2 TYR A 124 11.268 -7.000 17.128 1.00 54.03 H new ATOM 0 HB3 TYR A 124 10.509 -8.574 17.001 1.00 54.03 H new ATOM 0 HD1 TYR A 124 13.899 -6.978 17.068 1.00 51.54 H new ATOM 0 HD2 TYR A 124 11.586 -10.455 17.918 1.00 11.32 H new ATOM 0 HE1 TYR A 124 15.843 -8.003 18.162 1.00 42.44 H new ATOM 0 HE2 TYR A 124 13.528 -11.479 19.016 1.00 15.24 H new ATOM 0 HH TYR A 124 16.275 -9.745 19.912 1.00 54.44 H new ATOM 1885 N HIS A 125 9.251 -8.347 14.466 1.00 44.22 N ATOM 1886 CA HIS A 125 7.952 -7.997 13.903 1.00 0.10 C ATOM 1887 C HIS A 125 6.838 -8.803 14.565 1.00 45.02 C ATOM 1888 O HIS A 125 7.051 -9.910 15.061 1.00 53.23 O ATOM 1889 CB HIS A 125 7.945 -8.239 12.393 1.00 14.14 C ATOM 1890 CG HIS A 125 8.080 -6.985 11.585 1.00 35.21 C ATOM 1891 ND1 HIS A 125 7.059 -6.475 10.811 1.00 34.13 N ATOM 1892 CD2 HIS A 125 9.124 -6.137 11.435 1.00 54.14 C ATOM 1893 CE1 HIS A 125 7.469 -5.368 10.218 1.00 23.34 C ATOM 1894 NE2 HIS A 125 8.719 -5.141 10.580 1.00 10.34 N ATOM 0 H HIS A 125 9.346 -9.328 14.730 1.00 44.22 H new ATOM 0 HA HIS A 125 7.774 -6.939 14.094 1.00 0.10 H new ATOM 0 HB2 HIS A 125 8.761 -8.915 12.138 1.00 14.14 H new ATOM 0 HB3 HIS A 125 7.017 -8.741 12.118 1.00 14.14 H new ATOM 0 HD2 HIS A 125 10.094 -6.227 11.901 1.00 54.14 H new ATOM 0 HE1 HIS A 125 6.882 -4.754 9.551 1.00 23.34 H new ATOM 0 HE2 HIS A 125 9.291 -4.354 10.274 1.00 10.34 H new ATOM 1902 N PRO A 126 5.623 -8.237 14.575 1.00 53.44 N ATOM 1903 CA PRO A 126 4.452 -8.885 15.173 1.00 60.34 C ATOM 1904 C PRO A 126 3.989 -10.097 14.372 1.00 74.41 C ATOM 1905 O PRO A 126 4.178 -10.159 13.158 1.00 65.05 O ATOM 1906 CB PRO A 126 3.386 -7.787 15.146 1.00 72.31 C ATOM 1907 CG PRO A 126 3.794 -6.890 14.029 1.00 71.12 C ATOM 1908 CD PRO A 126 5.297 -6.920 14.002 1.00 1.40 C ATOM 0 HA PRO A 126 4.663 -9.268 16.171 1.00 60.34 H new ATOM 0 HB2 PRO A 126 2.393 -8.203 14.977 1.00 72.31 H new ATOM 0 HB3 PRO A 126 3.349 -7.248 16.093 1.00 72.31 H new ATOM 0 HG2 PRO A 126 3.380 -7.234 13.081 1.00 71.12 H new ATOM 0 HG3 PRO A 126 3.427 -5.876 14.188 1.00 71.12 H new ATOM 0 HD2 PRO A 126 5.683 -6.817 12.988 1.00 1.40 H new ATOM 0 HD3 PRO A 126 5.726 -6.109 14.590 1.00 1.40 H new ATOM 1916 N GLN A 127 3.380 -11.058 15.060 1.00 63.11 N ATOM 1917 CA GLN A 127 2.890 -12.269 14.411 1.00 3.42 C ATOM 1918 C GLN A 127 1.415 -12.133 14.048 1.00 44.53 C ATOM 1919 O GLN A 127 0.610 -13.020 14.332 1.00 50.22 O ATOM 1920 CB GLN A 127 3.093 -13.479 15.324 1.00 63.43 C ATOM 1921 CG GLN A 127 4.524 -13.992 15.345 1.00 61.44 C ATOM 1922 CD GLN A 127 4.603 -15.496 15.523 1.00 54.21 C ATOM 1923 OE1 GLN A 127 3.619 -16.142 15.885 1.00 53.22 O ATOM 1924 NE2 GLN A 127 5.777 -16.062 15.269 1.00 54.10 N ATOM 0 H GLN A 127 3.214 -11.022 16.066 1.00 63.11 H new ATOM 0 HA GLN A 127 3.459 -12.415 13.493 1.00 3.42 H new ATOM 0 HB2 GLN A 127 2.797 -13.212 16.338 1.00 63.43 H new ATOM 0 HB3 GLN A 127 2.432 -14.283 15.000 1.00 63.43 H new ATOM 0 HG2 GLN A 127 5.019 -13.714 14.415 1.00 61.44 H new ATOM 0 HG3 GLN A 127 5.069 -13.505 16.154 1.00 61.44 H new ATOM 0 HE21 GLN A 127 6.566 -15.488 14.971 1.00 54.10 H new ATOM 0 HE22 GLN A 127 5.890 -17.071 15.372 1.00 54.10 H new ATOM 1933 N THR A 128 1.067 -11.015 13.417 1.00 11.05 N ATOM 1934 CA THR A 128 -0.311 -10.762 13.016 1.00 12.34 C ATOM 1935 C THR A 128 -0.373 -9.784 11.848 1.00 31.14 C ATOM 1936 O THR A 128 -0.549 -10.186 10.698 1.00 45.12 O ATOM 1937 CB THR A 128 -1.142 -10.200 14.185 1.00 34.55 C ATOM 1938 OG1 THR A 128 -2.443 -9.819 13.723 1.00 2.21 O ATOM 1939 CG2 THR A 128 -0.450 -9.001 14.815 1.00 52.02 C ATOM 0 H THR A 128 1.721 -10.271 13.173 1.00 11.05 H new ATOM 0 HA THR A 128 -0.731 -11.719 12.708 1.00 12.34 H new ATOM 0 HB THR A 128 -1.239 -10.980 14.940 1.00 34.55 H new ATOM 0 HG1 THR A 128 -2.965 -9.464 14.472 1.00 2.21 H new ATOM 0 HG21 THR A 128 -1.056 -8.622 15.638 1.00 52.02 H new ATOM 0 HG22 THR A 128 0.527 -9.302 15.193 1.00 52.02 H new ATOM 0 HG23 THR A 128 -0.324 -8.219 14.067 1.00 52.02 H new TER 1947 THR A 128