USER MOD reduce.3.24.130724 H: found=0, std=0, add=1099, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1099 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 61 TYR OH : rot 180:sc= -0.0799 USER MOD Set 1.2: A 65 GLN : amide:sc= -0.555 X(o=-0.63,f=-0.56) USER MOD Set 2.1: A 52 ASN : amide:sc= -9.78! C(o=-21!,f=-8.2!) USER MOD Set 2.2: A 53 GLN : amide:sc= -11.5! C(o=-21!,f=-8.2!) USER MOD Set 2.3: A 117 HIS : no HD1:sc= -0.0695 K(o=-21,f=-16!) USER MOD Set 3.1: A 51 THR OG1 : rot -150:sc= -2.3! USER MOD Set 3.2: A 54 LYS NZ :NH3+ -124:sc= 2.06 (180deg=-1.96!) USER MOD Set 4.1: A 25 ASN : amide:sc= -1.49 K(o=-1.3,f=-4.3!) USER MOD Set 4.2: A 28 THR OG1 : rot -50:sc= 0.172 USER MOD Set 5.1: A 5 TYR OH : rot 80:sc= -1.7! USER MOD Set 5.2: A 9 LYS NZ :NH3+ 179:sc= 0.254! (180deg=0.15!) 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 2 ASN : amide:sc= -3.19 X(o=-3.2,f=-3.6!) USER MOD Single : A 6 GLN : amide:sc= -6.98! K(o=-7!,f=-0.48) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.113) USER MOD Single : A 35 TYR OH : rot 21:sc= -2.74! USER MOD Single : A 37 THR OG1 : rot -168:sc= -2.36! USER MOD Single : A 38 ASN : amide:sc= -4.09! K(o=-4.1!,f=-2.8) USER MOD Single : A 42 GLN : amide:sc= -2.02 K(o=-2,f=-0.19) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot -12:sc= -1.56! USER MOD Single : A 55 THR OG1 : rot -79:sc= 1.23 USER MOD Single : A 58 GLN : amide:sc= -2.44 K(o=-2.4,f=-3.1!) USER MOD Single : A 67 SER OG : rot -53:sc= -0.0832! USER MOD Single : A 72 ASN : amide:sc= -2.81! K(o=-2.8!,f=-1.1) USER MOD Single : A 75 THR OG1 : rot 120:sc= -0.756 USER MOD Single : A 77 SER OG : rot 180:sc= -0.0744 USER MOD Single : A 78 GLN : amide:sc= -0.417 X(o=-0.42,f=-0.012) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 87 GLN : amide:sc= -7.63! C(o=-7.6!,f=-8.5!) USER MOD Single : A 90 GLN : amide:sc= -3.91! C(o=-3.9!,f=-1.2!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= -0.101 USER MOD Single : A 97 ASN : amide:sc= -5.94! C(o=-5.9!,f=-8.4!) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 GLN : amide:sc= -1.26 K(o=-1.3,f=-0.68) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 171:sc= -2.41! (180deg=-2.55!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 ASN : amide:sc= -0.097 X(o=-0.097,f=0) USER MOD Single : A 125 GLN : amide:sc= -0.122 K(o=-0.12,f=-1) USER MOD Single : A 128 LYS NZ :NH3+ -131:sc= 0.099 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0.13 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.095 2.214 4.062 1.00 2.96 N ATOM 2 CA MET A 1 -22.885 3.663 4.316 1.00 2.14 C ATOM 3 C MET A 1 -21.505 3.922 4.913 1.00 1.93 C ATOM 4 O MET A 1 -21.262 3.641 6.087 1.00 2.77 O ATOM 5 CB MET A 1 -23.977 4.152 5.272 1.00 2.48 C ATOM 6 CG MET A 1 -23.806 5.598 5.711 1.00 3.11 C ATOM 7 SD MET A 1 -24.744 6.751 4.688 1.00 3.62 S ATOM 8 CE MET A 1 -26.056 7.217 5.815 1.00 4.70 C ATOM 0 H1 MET A 1 -24.041 2.066 3.656 1.00 2.96 H new ATOM 0 H2 MET A 1 -22.375 1.870 3.395 1.00 2.96 H new ATOM 0 H3 MET A 1 -23.016 1.690 4.957 1.00 2.96 H new ATOM 0 HA MET A 1 -22.941 4.206 3.373 1.00 2.14 H new ATOM 0 HB2 MET A 1 -24.947 4.041 4.788 1.00 2.48 H new ATOM 0 HB3 MET A 1 -23.987 3.513 6.155 1.00 2.48 H new ATOM 0 HG2 MET A 1 -24.123 5.698 6.749 1.00 3.11 H new ATOM 0 HG3 MET A 1 -22.749 5.862 5.674 1.00 3.11 H new ATOM 0 HE1 MET A 1 -26.721 7.929 5.325 1.00 4.70 H new ATOM 0 HE2 MET A 1 -26.621 6.330 6.102 1.00 4.70 H new ATOM 0 HE3 MET A 1 -25.625 7.676 6.705 1.00 4.70 H new ATOM 20 N ASN A 2 -20.604 4.459 4.095 1.00 1.14 N ATOM 21 CA ASN A 2 -19.247 4.758 4.538 1.00 0.94 C ATOM 22 C ASN A 2 -18.833 6.159 4.113 1.00 1.05 C ATOM 23 O ASN A 2 -18.851 7.093 4.916 1.00 1.69 O ATOM 24 CB ASN A 2 -18.262 3.730 3.976 1.00 0.90 C ATOM 25 CG ASN A 2 -18.950 2.670 3.138 1.00 1.88 C ATOM 26 OD1 ASN A 2 -19.091 1.523 3.561 1.00 2.37 O ATOM 27 ND2 ASN A 2 -19.385 3.051 1.943 1.00 2.64 N ATOM 0 H ASN A 2 -20.790 4.696 3.121 1.00 1.14 H new ATOM 0 HA ASN A 2 -19.230 4.707 5.627 1.00 0.94 H new ATOM 0 HB2 ASN A 2 -17.514 4.241 3.369 1.00 0.90 H new ATOM 0 HB3 ASN A 2 -17.731 3.251 4.799 1.00 0.90 H new ATOM 0 HD21 ASN A 2 -19.858 2.382 1.335 1.00 2.64 H new ATOM 0 HD22 ASN A 2 -19.247 4.013 1.633 1.00 2.64 H new ATOM 34 N GLU A 3 -18.458 6.301 2.845 1.00 0.79 N ATOM 35 CA GLU A 3 -18.035 7.590 2.313 1.00 0.82 C ATOM 36 C GLU A 3 -17.890 7.535 0.796 1.00 0.82 C ATOM 37 O GLU A 3 -18.709 8.088 0.062 1.00 1.02 O ATOM 38 CB GLU A 3 -16.706 8.008 2.947 1.00 0.78 C ATOM 39 CG GLU A 3 -16.695 9.440 3.455 1.00 0.87 C ATOM 40 CD GLU A 3 -16.588 9.524 4.966 1.00 1.96 C ATOM 41 OE1 GLU A 3 -16.646 8.467 5.627 1.00 2.72 O ATOM 42 OE2 GLU A 3 -16.447 10.650 5.488 1.00 2.50 O ATOM 0 H GLU A 3 -18.439 5.539 2.168 1.00 0.79 H new ATOM 0 HA GLU A 3 -18.800 8.326 2.558 1.00 0.82 H new ATOM 0 HB2 GLU A 3 -16.482 7.336 3.776 1.00 0.78 H new ATOM 0 HB3 GLU A 3 -15.909 7.886 2.213 1.00 0.78 H new ATOM 0 HG2 GLU A 3 -15.858 9.974 3.005 1.00 0.87 H new ATOM 0 HG3 GLU A 3 -17.606 9.943 3.131 1.00 0.87 H new ATOM 49 N LEU A 4 -16.835 6.874 0.335 1.00 0.65 N ATOM 50 CA LEU A 4 -16.563 6.754 -1.088 1.00 0.69 C ATOM 51 C LEU A 4 -16.117 5.335 -1.432 1.00 0.69 C ATOM 52 O LEU A 4 -15.495 5.100 -2.467 1.00 0.91 O ATOM 53 CB LEU A 4 -15.478 7.756 -1.472 1.00 0.65 C ATOM 54 CG LEU A 4 -15.931 8.884 -2.402 1.00 0.81 C ATOM 55 CD1 LEU A 4 -14.956 10.049 -2.344 1.00 1.51 C ATOM 56 CD2 LEU A 4 -16.073 8.375 -3.829 1.00 1.29 C ATOM 0 H LEU A 4 -16.151 6.411 0.933 1.00 0.65 H new ATOM 0 HA LEU A 4 -17.474 6.966 -1.648 1.00 0.69 H new ATOM 0 HB2 LEU A 4 -15.075 8.198 -0.561 1.00 0.65 H new ATOM 0 HB3 LEU A 4 -14.662 7.217 -1.952 1.00 0.65 H new ATOM 0 HG LEU A 4 -16.906 9.236 -2.065 1.00 0.81 H new ATOM 0 HD11 LEU A 4 -15.295 10.841 -3.012 1.00 1.51 H new ATOM 0 HD12 LEU A 4 -14.906 10.431 -1.324 1.00 1.51 H new ATOM 0 HD13 LEU A 4 -13.967 9.712 -2.654 1.00 1.51 H new ATOM 0 HD21 LEU A 4 -16.396 9.191 -4.476 1.00 1.29 H new ATOM 0 HD22 LEU A 4 -15.113 7.994 -4.177 1.00 1.29 H new ATOM 0 HD23 LEU A 4 -16.812 7.575 -3.858 1.00 1.29 H new ATOM 68 N TYR A 5 -16.447 4.401 -0.540 1.00 0.60 N ATOM 69 CA TYR A 5 -16.106 2.996 -0.680 1.00 0.61 C ATOM 70 C TYR A 5 -16.347 2.326 0.661 1.00 0.58 C ATOM 71 O TYR A 5 -16.594 3.008 1.653 1.00 0.63 O ATOM 72 CB TYR A 5 -14.646 2.806 -1.119 1.00 0.60 C ATOM 73 CG TYR A 5 -13.637 3.464 -0.204 1.00 0.47 C ATOM 74 CD1 TYR A 5 -13.260 2.861 0.987 1.00 0.50 C ATOM 75 CD2 TYR A 5 -13.064 4.687 -0.532 1.00 0.43 C ATOM 76 CE1 TYR A 5 -12.342 3.455 1.829 1.00 0.48 C ATOM 77 CE2 TYR A 5 -12.142 5.291 0.306 1.00 0.34 C ATOM 78 CZ TYR A 5 -11.785 4.669 1.485 1.00 0.36 C ATOM 79 OH TYR A 5 -10.869 5.259 2.323 1.00 0.40 O ATOM 0 H TYR A 5 -16.967 4.609 0.312 1.00 0.60 H new ATOM 0 HA TYR A 5 -16.728 2.547 -1.455 1.00 0.61 H new ATOM 0 HB2 TYR A 5 -14.430 1.739 -1.174 1.00 0.60 H new ATOM 0 HB3 TYR A 5 -14.525 3.208 -2.125 1.00 0.60 H new ATOM 0 HD1 TYR A 5 -13.693 1.910 1.260 1.00 0.50 H new ATOM 0 HD2 TYR A 5 -13.342 5.174 -1.455 1.00 0.43 H new ATOM 0 HE1 TYR A 5 -12.061 2.972 2.753 1.00 0.48 H new ATOM 0 HE2 TYR A 5 -11.705 6.242 0.039 1.00 0.34 H new ATOM 0 HH TYR A 5 -9.991 4.844 2.192 1.00 0.40 H new ATOM 89 N GLN A 6 -16.287 1.010 0.705 1.00 0.62 N ATOM 90 CA GLN A 6 -16.521 0.301 1.953 1.00 0.63 C ATOM 91 C GLN A 6 -15.370 0.497 2.926 1.00 0.59 C ATOM 92 O GLN A 6 -14.272 -0.023 2.727 1.00 0.64 O ATOM 93 CB GLN A 6 -16.764 -1.177 1.686 1.00 0.78 C ATOM 94 CG GLN A 6 -18.198 -1.447 1.270 1.00 1.57 C ATOM 95 CD GLN A 6 -18.362 -1.539 -0.235 1.00 1.64 C ATOM 96 OE1 GLN A 6 -19.324 -2.123 -0.732 1.00 2.13 O ATOM 97 NE2 GLN A 6 -17.419 -0.958 -0.966 1.00 1.48 N ATOM 0 H GLN A 6 -16.081 0.414 -0.096 1.00 0.62 H new ATOM 0 HA GLN A 6 -17.415 0.719 2.416 1.00 0.63 H new ATOM 0 HB2 GLN A 6 -16.088 -1.521 0.903 1.00 0.78 H new ATOM 0 HB3 GLN A 6 -16.532 -1.751 2.583 1.00 0.78 H new ATOM 0 HG2 GLN A 6 -18.535 -2.378 1.726 1.00 1.57 H new ATOM 0 HG3 GLN A 6 -18.839 -0.653 1.654 1.00 1.57 H new ATOM 0 HE21 GLN A 6 -16.639 -0.485 -0.510 1.00 1.48 H new ATOM 0 HE22 GLN A 6 -17.474 -0.985 -1.984 1.00 1.48 H new ATOM 106 N LEU A 7 -15.635 1.264 3.980 1.00 0.61 N ATOM 107 CA LEU A 7 -14.628 1.548 4.991 1.00 0.62 C ATOM 108 C LEU A 7 -14.289 0.301 5.793 1.00 0.65 C ATOM 109 O LEU A 7 -14.965 -0.034 6.766 1.00 0.72 O ATOM 110 CB LEU A 7 -15.109 2.657 5.927 1.00 0.67 C ATOM 111 CG LEU A 7 -14.337 3.972 5.820 1.00 0.84 C ATOM 112 CD1 LEU A 7 -15.108 4.973 4.974 1.00 1.39 C ATOM 113 CD2 LEU A 7 -14.058 4.542 7.203 1.00 1.14 C ATOM 0 H LEU A 7 -16.541 1.699 4.154 1.00 0.61 H new ATOM 0 HA LEU A 7 -13.725 1.882 4.479 1.00 0.62 H new ATOM 0 HB2 LEU A 7 -16.162 2.853 5.723 1.00 0.67 H new ATOM 0 HB3 LEU A 7 -15.045 2.298 6.954 1.00 0.67 H new ATOM 0 HG LEU A 7 -13.382 3.773 5.333 1.00 0.84 H new ATOM 0 HD11 LEU A 7 -14.545 5.904 4.908 1.00 1.39 H new ATOM 0 HD12 LEU A 7 -15.256 4.566 3.974 1.00 1.39 H new ATOM 0 HD13 LEU A 7 -16.077 5.167 5.433 1.00 1.39 H new ATOM 0 HD21 LEU A 7 -13.508 5.478 7.107 1.00 1.14 H new ATOM 0 HD22 LEU A 7 -15.001 4.727 7.717 1.00 1.14 H new ATOM 0 HD23 LEU A 7 -13.465 3.830 7.777 1.00 1.14 H new ATOM 125 N GLU A 8 -13.221 -0.368 5.384 1.00 0.63 N ATOM 126 CA GLU A 8 -12.758 -1.568 6.061 1.00 0.66 C ATOM 127 C GLU A 8 -11.634 -1.202 7.026 1.00 0.77 C ATOM 128 O GLU A 8 -11.880 -0.960 8.206 1.00 1.39 O ATOM 129 CB GLU A 8 -12.287 -2.596 5.036 1.00 0.71 C ATOM 130 CG GLU A 8 -11.909 -3.929 5.658 1.00 1.04 C ATOM 131 CD GLU A 8 -12.958 -4.443 6.628 1.00 2.09 C ATOM 132 OE1 GLU A 8 -12.977 -3.976 7.785 1.00 2.77 O ATOM 133 OE2 GLU A 8 -13.765 -5.308 6.227 1.00 2.54 O ATOM 0 H GLU A 8 -12.655 -0.096 4.580 1.00 0.63 H new ATOM 0 HA GLU A 8 -13.576 -2.009 6.630 1.00 0.66 H new ATOM 0 HB2 GLU A 8 -13.076 -2.756 4.302 1.00 0.71 H new ATOM 0 HB3 GLU A 8 -11.427 -2.196 4.498 1.00 0.71 H new ATOM 0 HG2 GLU A 8 -11.760 -4.665 4.868 1.00 1.04 H new ATOM 0 HG3 GLU A 8 -10.958 -3.825 6.180 1.00 1.04 H new ATOM 140 N LYS A 9 -10.405 -1.130 6.508 1.00 0.59 N ATOM 141 CA LYS A 9 -9.231 -0.759 7.309 1.00 0.58 C ATOM 142 C LYS A 9 -8.923 -1.778 8.411 1.00 0.56 C ATOM 143 O LYS A 9 -7.845 -1.744 9.007 1.00 0.81 O ATOM 144 CB LYS A 9 -9.417 0.632 7.929 1.00 0.73 C ATOM 145 CG LYS A 9 -10.267 1.579 7.092 1.00 0.87 C ATOM 146 CD LYS A 9 -9.616 1.887 5.754 1.00 1.08 C ATOM 147 CE LYS A 9 -10.655 2.064 4.657 1.00 0.77 C ATOM 148 NZ LYS A 9 -10.032 2.093 3.305 1.00 1.54 N ATOM 0 H LYS A 9 -10.194 -1.325 5.529 1.00 0.59 H new ATOM 0 HA LYS A 9 -8.381 -0.746 6.626 1.00 0.58 H new ATOM 0 HB2 LYS A 9 -9.876 0.521 8.911 1.00 0.73 H new ATOM 0 HB3 LYS A 9 -8.437 1.082 8.084 1.00 0.73 H new ATOM 0 HG2 LYS A 9 -11.249 1.135 6.925 1.00 0.87 H new ATOM 0 HG3 LYS A 9 -10.426 2.507 7.641 1.00 0.87 H new ATOM 0 HD2 LYS A 9 -9.017 2.794 5.839 1.00 1.08 H new ATOM 0 HD3 LYS A 9 -8.935 1.080 5.485 1.00 1.08 H new ATOM 0 HE2 LYS A 9 -11.378 1.250 4.707 1.00 0.77 H new ATOM 0 HE3 LYS A 9 -11.205 2.990 4.824 1.00 0.77 H new ATOM 0 HZ1 LYS A 9 -10.773 2.198 2.583 1.00 1.54 H new ATOM 0 HZ2 LYS A 9 -9.373 2.895 3.244 1.00 1.54 H new ATOM 0 HZ3 LYS A 9 -9.514 1.206 3.142 1.00 1.54 H new ATOM 162 N GLU A 10 -9.861 -2.680 8.679 1.00 0.60 N ATOM 163 CA GLU A 10 -9.676 -3.703 9.706 1.00 0.56 C ATOM 164 C GLU A 10 -10.070 -5.071 9.152 1.00 0.84 C ATOM 165 O GLU A 10 -10.618 -5.153 8.056 1.00 1.40 O ATOM 166 CB GLU A 10 -10.511 -3.366 10.947 1.00 0.88 C ATOM 167 CG GLU A 10 -11.397 -2.151 10.767 1.00 1.68 C ATOM 168 CD GLU A 10 -12.596 -2.154 11.695 1.00 2.35 C ATOM 169 OE1 GLU A 10 -12.413 -2.414 12.903 1.00 2.80 O ATOM 170 OE2 GLU A 10 -13.720 -1.898 11.213 1.00 2.78 O ATOM 0 H GLU A 10 -10.760 -2.725 8.199 1.00 0.60 H new ATOM 0 HA GLU A 10 -8.626 -3.730 9.996 1.00 0.56 H new ATOM 0 HB2 GLU A 10 -11.132 -4.225 11.201 1.00 0.88 H new ATOM 0 HB3 GLU A 10 -9.842 -3.196 11.790 1.00 0.88 H new ATOM 0 HG2 GLU A 10 -10.810 -1.250 10.943 1.00 1.68 H new ATOM 0 HG3 GLU A 10 -11.743 -2.109 9.734 1.00 1.68 H new ATOM 177 N PRO A 11 -9.799 -6.168 9.890 1.00 1.07 N ATOM 178 CA PRO A 11 -10.138 -7.520 9.451 1.00 1.42 C ATOM 179 C PRO A 11 -11.493 -7.581 8.764 1.00 0.83 C ATOM 180 O PRO A 11 -12.503 -7.141 9.314 1.00 0.59 O ATOM 181 CB PRO A 11 -10.169 -8.331 10.753 1.00 2.13 C ATOM 182 CG PRO A 11 -9.851 -7.360 11.849 1.00 2.29 C ATOM 183 CD PRO A 11 -9.154 -6.203 11.201 1.00 1.67 C ATOM 0 HA PRO A 11 -9.424 -7.895 8.718 1.00 1.42 H new ATOM 0 HB2 PRO A 11 -11.147 -8.786 10.906 1.00 2.13 H new ATOM 0 HB3 PRO A 11 -9.441 -9.142 10.726 1.00 2.13 H new ATOM 0 HG2 PRO A 11 -10.760 -7.033 12.353 1.00 2.29 H new ATOM 0 HG3 PRO A 11 -9.216 -7.822 12.605 1.00 2.29 H new ATOM 0 HD2 PRO A 11 -9.299 -5.275 11.754 1.00 1.67 H new ATOM 0 HD3 PRO A 11 -8.079 -6.363 11.124 1.00 1.67 H new ATOM 191 N ILE A 12 -11.503 -8.128 7.559 1.00 0.86 N ATOM 192 CA ILE A 12 -12.726 -8.249 6.786 1.00 0.54 C ATOM 193 C ILE A 12 -13.417 -9.576 7.083 1.00 0.79 C ATOM 194 O ILE A 12 -12.756 -10.583 7.338 1.00 1.12 O ATOM 195 CB ILE A 12 -12.435 -8.162 5.278 1.00 0.51 C ATOM 196 CG1 ILE A 12 -11.370 -7.096 5.020 1.00 0.66 C ATOM 197 CG2 ILE A 12 -13.712 -7.854 4.510 1.00 0.49 C ATOM 198 CD1 ILE A 12 -10.999 -6.933 3.563 1.00 0.53 C ATOM 0 H ILE A 12 -10.673 -8.496 7.094 1.00 0.86 H new ATOM 0 HA ILE A 12 -13.379 -7.425 7.072 1.00 0.54 H new ATOM 0 HB ILE A 12 -12.057 -9.123 4.928 1.00 0.51 H new ATOM 0 HG12 ILE A 12 -11.728 -6.140 5.402 1.00 0.66 H new ATOM 0 HG13 ILE A 12 -10.473 -7.349 5.586 1.00 0.66 H new ATOM 0 HG21 ILE A 12 -13.491 -7.795 3.444 1.00 0.49 H new ATOM 0 HG22 ILE A 12 -14.442 -8.644 4.686 1.00 0.49 H new ATOM 0 HG23 ILE A 12 -14.120 -6.901 4.849 1.00 0.49 H new ATOM 0 HD11 ILE A 12 -10.238 -6.158 3.466 1.00 0.53 H new ATOM 0 HD12 ILE A 12 -10.608 -7.875 3.179 1.00 0.53 H new ATOM 0 HD13 ILE A 12 -11.883 -6.647 2.992 1.00 0.53 H new ATOM 210 N VAL A 13 -14.745 -9.568 7.052 1.00 1.03 N ATOM 211 CA VAL A 13 -15.531 -10.770 7.320 1.00 1.51 C ATOM 212 C VAL A 13 -14.985 -11.982 6.560 1.00 1.29 C ATOM 213 O VAL A 13 -15.057 -13.111 7.046 1.00 1.43 O ATOM 214 CB VAL A 13 -17.013 -10.561 6.947 1.00 2.06 C ATOM 215 CG1 VAL A 13 -17.151 -10.187 5.479 1.00 2.23 C ATOM 216 CG2 VAL A 13 -17.828 -11.805 7.270 1.00 3.06 C ATOM 0 H VAL A 13 -15.303 -8.740 6.843 1.00 1.03 H new ATOM 0 HA VAL A 13 -15.454 -10.964 8.390 1.00 1.51 H new ATOM 0 HB VAL A 13 -17.403 -9.736 7.543 1.00 2.06 H new ATOM 0 HG11 VAL A 13 -18.204 -10.044 5.237 1.00 2.23 H new ATOM 0 HG12 VAL A 13 -16.606 -9.263 5.286 1.00 2.23 H new ATOM 0 HG13 VAL A 13 -16.742 -10.985 4.860 1.00 2.23 H new ATOM 0 HG21 VAL A 13 -18.871 -11.637 7.000 1.00 3.06 H new ATOM 0 HG22 VAL A 13 -17.438 -12.652 6.705 1.00 3.06 H new ATOM 0 HG23 VAL A 13 -17.760 -12.018 8.337 1.00 3.06 H new ATOM 226 N GLY A 14 -14.436 -11.739 5.372 1.00 0.97 N ATOM 227 CA GLY A 14 -13.885 -12.821 4.572 1.00 0.77 C ATOM 228 C GLY A 14 -13.544 -12.384 3.159 1.00 0.71 C ATOM 229 O GLY A 14 -14.178 -12.820 2.198 1.00 1.03 O ATOM 0 H GLY A 14 -14.363 -10.814 4.949 1.00 0.97 H new ATOM 0 HA2 GLY A 14 -12.988 -13.206 5.056 1.00 0.77 H new ATOM 0 HA3 GLY A 14 -14.602 -13.641 4.532 1.00 0.77 H new ATOM 233 N ALA A 15 -12.551 -11.510 3.037 1.00 0.38 N ATOM 234 CA ALA A 15 -12.132 -10.997 1.736 1.00 0.34 C ATOM 235 C ALA A 15 -10.752 -11.517 1.331 1.00 0.32 C ATOM 236 O ALA A 15 -9.983 -11.997 2.164 1.00 0.36 O ATOM 237 CB ALA A 15 -12.129 -9.479 1.765 1.00 0.39 C ATOM 0 H ALA A 15 -12.019 -11.141 3.825 1.00 0.38 H new ATOM 0 HA ALA A 15 -12.844 -11.353 0.991 1.00 0.34 H new ATOM 0 HB1 ALA A 15 -11.816 -9.097 0.793 1.00 0.39 H new ATOM 0 HB2 ALA A 15 -13.132 -9.117 1.991 1.00 0.39 H new ATOM 0 HB3 ALA A 15 -11.437 -9.131 2.532 1.00 0.39 H new ATOM 243 N GLU A 16 -10.453 -11.400 0.039 1.00 0.33 N ATOM 244 CA GLU A 16 -9.172 -11.832 -0.519 1.00 0.39 C ATOM 245 C GLU A 16 -8.009 -11.138 0.186 1.00 0.31 C ATOM 246 O GLU A 16 -8.154 -10.020 0.661 1.00 0.33 O ATOM 247 CB GLU A 16 -9.123 -11.545 -2.018 1.00 0.56 C ATOM 248 CG GLU A 16 -8.570 -12.698 -2.833 1.00 0.84 C ATOM 249 CD GLU A 16 -9.516 -13.882 -2.886 1.00 1.22 C ATOM 250 OE1 GLU A 16 -9.548 -14.660 -1.910 1.00 2.01 O ATOM 251 OE2 GLU A 16 -10.222 -14.031 -3.905 1.00 1.43 O ATOM 0 H GLU A 16 -11.091 -11.003 -0.651 1.00 0.33 H new ATOM 0 HA GLU A 16 -9.078 -12.906 -0.360 1.00 0.39 H new ATOM 0 HB2 GLU A 16 -10.128 -11.311 -2.369 1.00 0.56 H new ATOM 0 HB3 GLU A 16 -8.510 -10.660 -2.191 1.00 0.56 H new ATOM 0 HG2 GLU A 16 -8.365 -12.356 -3.847 1.00 0.84 H new ATOM 0 HG3 GLU A 16 -7.619 -13.016 -2.406 1.00 0.84 H new ATOM 258 N THR A 17 -6.864 -11.807 0.271 1.00 0.37 N ATOM 259 CA THR A 17 -5.701 -11.234 0.938 1.00 0.32 C ATOM 260 C THR A 17 -4.660 -10.744 -0.064 1.00 0.26 C ATOM 261 O THR A 17 -4.293 -11.445 -1.020 1.00 0.29 O ATOM 262 CB THR A 17 -5.034 -12.226 1.910 1.00 0.41 C ATOM 263 OG1 THR A 17 -4.198 -13.139 1.188 1.00 0.54 O ATOM 264 CG2 THR A 17 -6.082 -13.003 2.695 1.00 0.51 C ATOM 0 H THR A 17 -6.717 -12.741 -0.111 1.00 0.37 H new ATOM 0 HA THR A 17 -6.077 -10.386 1.511 1.00 0.32 H new ATOM 0 HB THR A 17 -4.425 -11.656 2.611 1.00 0.41 H new ATOM 0 HG1 THR A 17 -3.778 -13.764 1.815 1.00 0.54 H new ATOM 0 HG21 THR A 17 -5.587 -13.697 3.374 1.00 0.51 H new ATOM 0 HG22 THR A 17 -6.696 -12.309 3.269 1.00 0.51 H new ATOM 0 HG23 THR A 17 -6.715 -13.561 2.004 1.00 0.51 H new ATOM 272 N PHE A 18 -4.202 -9.524 0.173 1.00 0.27 N ATOM 273 CA PHE A 18 -3.211 -8.883 -0.674 1.00 0.25 C ATOM 274 C PHE A 18 -2.225 -8.097 0.180 1.00 0.29 C ATOM 275 O PHE A 18 -2.608 -7.282 1.017 1.00 0.59 O ATOM 276 CB PHE A 18 -3.891 -7.945 -1.675 1.00 0.32 C ATOM 277 CG PHE A 18 -4.646 -8.617 -2.794 1.00 0.24 C ATOM 278 CD1 PHE A 18 -5.755 -9.406 -2.539 1.00 0.24 C ATOM 279 CD2 PHE A 18 -4.252 -8.434 -4.110 1.00 0.38 C ATOM 280 CE1 PHE A 18 -6.453 -10.003 -3.573 1.00 0.35 C ATOM 281 CE2 PHE A 18 -4.945 -9.029 -5.147 1.00 0.46 C ATOM 282 CZ PHE A 18 -6.049 -9.814 -4.878 1.00 0.41 C ATOM 0 H PHE A 18 -4.508 -8.951 0.959 1.00 0.27 H new ATOM 0 HA PHE A 18 -2.673 -9.655 -1.224 1.00 0.25 H new ATOM 0 HB2 PHE A 18 -4.582 -7.302 -1.130 1.00 0.32 H new ATOM 0 HB3 PHE A 18 -3.131 -7.298 -2.112 1.00 0.32 H new ATOM 0 HD1 PHE A 18 -6.079 -9.557 -1.520 1.00 0.24 H new ATOM 0 HD2 PHE A 18 -3.392 -7.818 -4.328 1.00 0.38 H new ATOM 0 HE1 PHE A 18 -7.315 -10.617 -3.358 1.00 0.35 H new ATOM 0 HE2 PHE A 18 -4.623 -8.880 -6.167 1.00 0.46 H new ATOM 0 HZ PHE A 18 -6.594 -10.278 -5.687 1.00 0.41 H new ATOM 292 N TYR A 19 -0.952 -8.360 -0.042 1.00 0.25 N ATOM 293 CA TYR A 19 0.114 -7.704 0.697 1.00 0.28 C ATOM 294 C TYR A 19 0.739 -6.613 -0.124 1.00 0.22 C ATOM 295 O TYR A 19 0.665 -6.652 -1.336 1.00 0.22 O ATOM 296 CB TYR A 19 1.174 -8.715 1.097 1.00 0.41 C ATOM 297 CG TYR A 19 0.870 -10.121 0.641 1.00 1.21 C ATOM 298 CD1 TYR A 19 0.947 -10.478 -0.704 1.00 1.64 C ATOM 299 CD2 TYR A 19 0.499 -11.091 1.562 1.00 1.92 C ATOM 300 CE1 TYR A 19 0.655 -11.774 -1.101 1.00 2.74 C ATOM 301 CE2 TYR A 19 0.212 -12.381 1.166 1.00 3.01 C ATOM 302 CZ TYR A 19 0.290 -12.717 -0.165 1.00 3.40 C ATOM 303 OH TYR A 19 0.001 -14.001 -0.565 1.00 4.52 O ATOM 0 H TYR A 19 -0.626 -9.032 -0.737 1.00 0.25 H new ATOM 0 HA TYR A 19 -0.318 -7.261 1.595 1.00 0.28 H new ATOM 0 HB2 TYR A 19 2.133 -8.407 0.682 1.00 0.41 H new ATOM 0 HB3 TYR A 19 1.279 -8.709 2.182 1.00 0.41 H new ATOM 0 HD1 TYR A 19 1.235 -9.742 -1.440 1.00 1.64 H new ATOM 0 HD2 TYR A 19 0.434 -10.831 2.608 1.00 1.92 H new ATOM 0 HE1 TYR A 19 0.714 -12.045 -2.145 1.00 2.74 H new ATOM 0 HE2 TYR A 19 -0.072 -13.123 1.897 1.00 3.01 H new ATOM 0 HH TYR A 19 -0.238 -14.541 0.217 1.00 4.52 H new ATOM 313 N VAL A 20 1.343 -5.637 0.550 1.00 0.22 N ATOM 314 CA VAL A 20 1.976 -4.520 -0.130 1.00 0.22 C ATOM 315 C VAL A 20 3.163 -3.992 0.659 1.00 0.23 C ATOM 316 O VAL A 20 3.053 -3.713 1.853 1.00 0.26 O ATOM 317 CB VAL A 20 0.990 -3.360 -0.360 1.00 0.32 C ATOM 318 CG1 VAL A 20 0.903 -3.026 -1.834 1.00 0.87 C ATOM 319 CG2 VAL A 20 -0.384 -3.691 0.203 1.00 0.93 C ATOM 0 H VAL A 20 1.405 -5.601 1.567 1.00 0.22 H new ATOM 0 HA VAL A 20 2.315 -4.902 -1.093 1.00 0.22 H new ATOM 0 HB VAL A 20 1.364 -2.484 0.170 1.00 0.32 H new ATOM 0 HG11 VAL A 20 0.202 -2.204 -1.980 1.00 0.87 H new ATOM 0 HG12 VAL A 20 1.887 -2.733 -2.199 1.00 0.87 H new ATOM 0 HG13 VAL A 20 0.557 -3.900 -2.385 1.00 0.87 H new ATOM 0 HG21 VAL A 20 -1.060 -2.855 0.027 1.00 0.93 H new ATOM 0 HG22 VAL A 20 -0.773 -4.583 -0.289 1.00 0.93 H new ATOM 0 HG23 VAL A 20 -0.304 -3.873 1.275 1.00 0.93 H new ATOM 329 N ASP A 21 4.291 -3.842 -0.020 1.00 0.22 N ATOM 330 CA ASP A 21 5.495 -3.330 0.612 1.00 0.25 C ATOM 331 C ASP A 21 6.558 -2.995 -0.430 1.00 0.23 C ATOM 332 O ASP A 21 6.888 -3.819 -1.285 1.00 0.25 O ATOM 333 CB ASP A 21 6.047 -4.347 1.613 1.00 0.28 C ATOM 334 CG ASP A 21 7.482 -4.050 2.006 1.00 0.30 C ATOM 335 OD1 ASP A 21 7.689 -3.187 2.886 1.00 0.37 O ATOM 336 OD2 ASP A 21 8.397 -4.678 1.435 1.00 0.38 O ATOM 0 H ASP A 21 4.396 -4.068 -1.009 1.00 0.22 H new ATOM 0 HA ASP A 21 5.233 -2.415 1.144 1.00 0.25 H new ATOM 0 HB2 ASP A 21 5.422 -4.350 2.506 1.00 0.28 H new ATOM 0 HB3 ASP A 21 5.991 -5.346 1.181 1.00 0.28 H new ATOM 341 N GLY A 22 7.097 -1.784 -0.347 1.00 0.22 N ATOM 342 CA GLY A 22 8.122 -1.358 -1.277 1.00 0.24 C ATOM 343 C GLY A 22 9.231 -0.591 -0.591 1.00 0.35 C ATOM 344 O GLY A 22 8.994 0.092 0.406 1.00 0.42 O ATOM 0 H GLY A 22 6.840 -1.087 0.352 1.00 0.22 H new ATOM 0 HA2 GLY A 22 8.542 -2.231 -1.778 1.00 0.24 H new ATOM 0 HA3 GLY A 22 7.673 -0.733 -2.049 1.00 0.24 H new ATOM 348 N ALA A 23 10.444 -0.699 -1.122 1.00 0.39 N ATOM 349 CA ALA A 23 11.586 -0.005 -0.544 1.00 0.49 C ATOM 350 C ALA A 23 12.206 0.956 -1.538 1.00 0.50 C ATOM 351 O ALA A 23 12.787 0.553 -2.543 1.00 0.49 O ATOM 352 CB ALA A 23 12.617 -1.010 -0.059 1.00 0.57 C ATOM 0 H ALA A 23 10.660 -1.258 -1.948 1.00 0.39 H new ATOM 0 HA ALA A 23 11.234 0.579 0.306 1.00 0.49 H new ATOM 0 HB1 ALA A 23 13.467 -0.480 0.371 1.00 0.57 H new ATOM 0 HB2 ALA A 23 12.169 -1.654 0.698 1.00 0.57 H new ATOM 0 HB3 ALA A 23 12.955 -1.618 -0.898 1.00 0.57 H new ATOM 358 N ALA A 24 12.087 2.234 -1.222 1.00 0.53 N ATOM 359 CA ALA A 24 12.631 3.294 -2.038 1.00 0.55 C ATOM 360 C ALA A 24 13.352 4.289 -1.150 1.00 0.64 C ATOM 361 O ALA A 24 12.832 4.685 -0.106 1.00 0.80 O ATOM 362 CB ALA A 24 11.523 3.981 -2.817 1.00 0.49 C ATOM 0 H ALA A 24 11.606 2.563 -0.385 1.00 0.53 H new ATOM 0 HA ALA A 24 13.338 2.874 -2.753 1.00 0.55 H new ATOM 0 HB1 ALA A 24 11.948 4.778 -3.428 1.00 0.49 H new ATOM 0 HB2 ALA A 24 11.027 3.255 -3.461 1.00 0.49 H new ATOM 0 HB3 ALA A 24 10.798 4.404 -2.122 1.00 0.49 H new ATOM 368 N ASN A 25 14.548 4.680 -1.554 1.00 0.61 N ATOM 369 CA ASN A 25 15.334 5.622 -0.778 1.00 0.69 C ATOM 370 C ASN A 25 14.498 6.840 -0.409 1.00 0.69 C ATOM 371 O ASN A 25 14.169 7.658 -1.260 1.00 0.69 O ATOM 372 CB ASN A 25 16.567 6.057 -1.565 1.00 0.77 C ATOM 373 CG ASN A 25 17.816 6.091 -0.709 1.00 0.68 C ATOM 374 OD1 ASN A 25 18.437 5.059 -0.452 1.00 0.67 O ATOM 375 ND2 ASN A 25 18.190 7.284 -0.260 1.00 1.09 N ATOM 0 H ASN A 25 14.995 4.360 -2.413 1.00 0.61 H new ATOM 0 HA ASN A 25 15.655 5.127 0.139 1.00 0.69 H new ATOM 0 HB2 ASN A 25 16.721 5.374 -2.401 1.00 0.77 H new ATOM 0 HB3 ASN A 25 16.394 7.046 -1.989 1.00 0.77 H new ATOM 0 HD21 ASN A 25 19.022 7.372 0.323 1.00 1.09 H new ATOM 0 HD22 ASN A 25 17.645 8.112 -0.498 1.00 1.09 H new ATOM 382 N ARG A 26 14.151 6.936 0.867 1.00 0.73 N ATOM 383 CA ARG A 26 13.338 8.036 1.375 1.00 0.77 C ATOM 384 C ARG A 26 14.039 9.379 1.233 1.00 0.82 C ATOM 385 O ARG A 26 13.459 10.348 0.742 1.00 0.79 O ATOM 386 CB ARG A 26 13.038 7.807 2.847 1.00 0.87 C ATOM 387 CG ARG A 26 11.731 8.426 3.296 1.00 0.94 C ATOM 388 CD ARG A 26 11.843 9.936 3.444 1.00 1.30 C ATOM 389 NE ARG A 26 13.087 10.338 4.097 1.00 1.57 N ATOM 390 CZ ARG A 26 13.243 11.491 4.742 1.00 2.15 C ATOM 391 NH1 ARG A 26 12.237 12.352 4.820 1.00 2.86 N ATOM 392 NH2 ARG A 26 14.406 11.785 5.308 1.00 2.52 N ATOM 0 H ARG A 26 14.423 6.257 1.578 1.00 0.73 H new ATOM 0 HA ARG A 26 12.421 8.061 0.786 1.00 0.77 H new ATOM 0 HB2 ARG A 26 13.010 6.735 3.042 1.00 0.87 H new ATOM 0 HB3 ARG A 26 13.851 8.219 3.445 1.00 0.87 H new ATOM 0 HG2 ARG A 26 10.949 8.188 2.574 1.00 0.94 H new ATOM 0 HG3 ARG A 26 11.430 7.989 4.248 1.00 0.94 H new ATOM 0 HD2 ARG A 26 11.785 10.401 2.460 1.00 1.30 H new ATOM 0 HD3 ARG A 26 10.996 10.306 4.021 1.00 1.30 H new ATOM 0 HE ARG A 26 13.881 9.698 4.056 1.00 1.57 H new ATOM 0 HH11 ARG A 26 11.341 12.131 4.385 1.00 2.86 H new ATOM 0 HH12 ARG A 26 12.359 13.235 5.315 1.00 2.86 H new ATOM 0 HH21 ARG A 26 15.183 11.127 5.249 1.00 2.52 H new ATOM 0 HH22 ARG A 26 14.524 12.670 5.802 1.00 2.52 H new ATOM 406 N GLU A 27 15.279 9.428 1.698 1.00 0.93 N ATOM 407 CA GLU A 27 16.075 10.643 1.665 1.00 1.02 C ATOM 408 C GLU A 27 16.056 11.288 0.285 1.00 0.90 C ATOM 409 O GLU A 27 16.338 12.477 0.135 1.00 0.94 O ATOM 410 CB GLU A 27 17.510 10.312 2.069 1.00 1.15 C ATOM 411 CG GLU A 27 18.484 11.471 1.917 1.00 1.36 C ATOM 412 CD GLU A 27 19.317 11.371 0.655 1.00 1.99 C ATOM 413 OE1 GLU A 27 20.024 10.354 0.490 1.00 2.44 O ATOM 414 OE2 GLU A 27 19.264 12.309 -0.168 1.00 2.44 O ATOM 0 H GLU A 27 15.760 8.627 2.108 1.00 0.93 H new ATOM 0 HA GLU A 27 15.645 11.357 2.367 1.00 1.02 H new ATOM 0 HB2 GLU A 27 17.516 9.981 3.107 1.00 1.15 H new ATOM 0 HB3 GLU A 27 17.862 9.475 1.466 1.00 1.15 H new ATOM 0 HG2 GLU A 27 17.928 12.409 1.908 1.00 1.36 H new ATOM 0 HG3 GLU A 27 19.145 11.501 2.783 1.00 1.36 H new ATOM 421 N THR A 28 15.730 10.491 -0.722 1.00 0.79 N ATOM 422 CA THR A 28 15.687 10.975 -2.091 1.00 0.69 C ATOM 423 C THR A 28 14.371 10.604 -2.771 1.00 0.56 C ATOM 424 O THR A 28 14.151 10.928 -3.939 1.00 0.49 O ATOM 425 CB THR A 28 16.861 10.396 -2.895 1.00 0.75 C ATOM 426 OG1 THR A 28 18.046 10.387 -2.089 1.00 1.41 O ATOM 427 CG2 THR A 28 17.108 11.207 -4.153 1.00 1.35 C ATOM 0 H THR A 28 15.491 9.505 -0.615 1.00 0.79 H new ATOM 0 HA THR A 28 15.765 12.062 -2.061 1.00 0.69 H new ATOM 0 HB THR A 28 16.607 9.376 -3.184 1.00 0.75 H new ATOM 0 HG1 THR A 28 18.178 11.273 -1.692 1.00 1.41 H new ATOM 0 HG21 THR A 28 17.944 10.777 -4.705 1.00 1.35 H new ATOM 0 HG22 THR A 28 16.215 11.191 -4.777 1.00 1.35 H new ATOM 0 HG23 THR A 28 17.343 12.236 -3.882 1.00 1.35 H new ATOM 435 N LYS A 29 13.502 9.923 -2.027 1.00 0.54 N ATOM 436 CA LYS A 29 12.204 9.495 -2.542 1.00 0.46 C ATOM 437 C LYS A 29 12.349 8.850 -3.917 1.00 0.37 C ATOM 438 O LYS A 29 12.045 9.464 -4.941 1.00 0.44 O ATOM 439 CB LYS A 29 11.237 10.680 -2.604 1.00 0.51 C ATOM 440 CG LYS A 29 10.741 11.128 -1.238 1.00 0.67 C ATOM 441 CD LYS A 29 11.020 12.603 -1.001 1.00 1.02 C ATOM 442 CE LYS A 29 9.850 13.470 -1.440 1.00 1.39 C ATOM 443 NZ LYS A 29 10.230 14.906 -1.544 1.00 1.56 N ATOM 0 H LYS A 29 13.676 9.654 -1.058 1.00 0.54 H new ATOM 0 HA LYS A 29 11.796 8.749 -1.860 1.00 0.46 H new ATOM 0 HB2 LYS A 29 11.732 11.518 -3.095 1.00 0.51 H new ATOM 0 HB3 LYS A 29 10.381 10.409 -3.222 1.00 0.51 H new ATOM 0 HG2 LYS A 29 9.670 10.942 -1.160 1.00 0.67 H new ATOM 0 HG3 LYS A 29 11.225 10.536 -0.462 1.00 0.67 H new ATOM 0 HD2 LYS A 29 11.221 12.771 0.057 1.00 1.02 H new ATOM 0 HD3 LYS A 29 11.917 12.897 -1.547 1.00 1.02 H new ATOM 0 HE2 LYS A 29 9.482 13.121 -2.405 1.00 1.39 H new ATOM 0 HE3 LYS A 29 9.031 13.362 -0.729 1.00 1.39 H new ATOM 0 HZ1 LYS A 29 9.405 15.462 -1.846 1.00 1.56 H new ATOM 0 HZ2 LYS A 29 10.557 15.247 -0.617 1.00 1.56 H new ATOM 0 HZ3 LYS A 29 10.994 15.013 -2.242 1.00 1.56 H new ATOM 457 N LEU A 30 12.823 7.606 -3.926 1.00 0.43 N ATOM 458 CA LEU A 30 13.025 6.859 -5.169 1.00 0.37 C ATOM 459 C LEU A 30 13.528 5.454 -4.876 1.00 0.38 C ATOM 460 O LEU A 30 14.384 5.262 -4.017 1.00 0.44 O ATOM 461 CB LEU A 30 14.029 7.588 -6.072 1.00 0.42 C ATOM 462 CG LEU A 30 14.581 6.759 -7.237 1.00 0.48 C ATOM 463 CD1 LEU A 30 14.947 7.660 -8.407 1.00 0.52 C ATOM 464 CD2 LEU A 30 15.788 5.943 -6.791 1.00 0.68 C ATOM 0 H LEU A 30 13.076 7.091 -3.083 1.00 0.43 H new ATOM 0 HA LEU A 30 12.066 6.789 -5.682 1.00 0.37 H new ATOM 0 HB2 LEU A 30 13.549 8.479 -6.477 1.00 0.42 H new ATOM 0 HB3 LEU A 30 14.865 7.926 -5.460 1.00 0.42 H new ATOM 0 HG LEU A 30 13.804 6.069 -7.565 1.00 0.48 H new ATOM 0 HD11 LEU A 30 15.337 7.054 -9.225 1.00 0.52 H new ATOM 0 HD12 LEU A 30 14.060 8.197 -8.744 1.00 0.52 H new ATOM 0 HD13 LEU A 30 15.706 8.376 -8.092 1.00 0.52 H new ATOM 0 HD21 LEU A 30 16.165 5.362 -7.632 1.00 0.68 H new ATOM 0 HD22 LEU A 30 16.569 6.614 -6.435 1.00 0.68 H new ATOM 0 HD23 LEU A 30 15.494 5.269 -5.987 1.00 0.68 H new ATOM 476 N GLY A 31 13.005 4.476 -5.607 1.00 0.34 N ATOM 477 CA GLY A 31 13.431 3.104 -5.408 1.00 0.37 C ATOM 478 C GLY A 31 12.458 2.101 -5.985 1.00 0.30 C ATOM 479 O GLY A 31 11.967 2.274 -7.100 1.00 0.27 O ATOM 0 H GLY A 31 12.298 4.608 -6.330 1.00 0.34 H new ATOM 0 HA2 GLY A 31 14.409 2.961 -5.868 1.00 0.37 H new ATOM 0 HA3 GLY A 31 13.550 2.916 -4.341 1.00 0.37 H new ATOM 483 N LYS A 32 12.188 1.045 -5.225 1.00 0.30 N ATOM 484 CA LYS A 32 11.277 -0.004 -5.666 1.00 0.24 C ATOM 485 C LYS A 32 10.042 -0.092 -4.775 1.00 0.19 C ATOM 486 O LYS A 32 10.050 0.359 -3.629 1.00 0.23 O ATOM 487 CB LYS A 32 11.986 -1.360 -5.666 1.00 0.28 C ATOM 488 CG LYS A 32 13.492 -1.268 -5.856 1.00 0.56 C ATOM 489 CD LYS A 32 14.235 -2.094 -4.817 1.00 0.95 C ATOM 490 CE LYS A 32 15.118 -3.145 -5.472 1.00 1.44 C ATOM 491 NZ LYS A 32 15.238 -4.371 -4.634 1.00 2.12 N ATOM 0 H LYS A 32 12.588 0.893 -4.299 1.00 0.30 H new ATOM 0 HA LYS A 32 10.959 0.252 -6.677 1.00 0.24 H new ATOM 0 HB2 LYS A 32 11.779 -1.867 -4.724 1.00 0.28 H new ATOM 0 HB3 LYS A 32 11.567 -1.978 -6.460 1.00 0.28 H new ATOM 0 HG2 LYS A 32 13.756 -1.615 -6.855 1.00 0.56 H new ATOM 0 HG3 LYS A 32 13.806 -0.226 -5.787 1.00 0.56 H new ATOM 0 HD2 LYS A 32 14.846 -1.438 -4.197 1.00 0.95 H new ATOM 0 HD3 LYS A 32 13.518 -2.580 -4.155 1.00 0.95 H new ATOM 0 HE2 LYS A 32 14.706 -3.410 -6.446 1.00 1.44 H new ATOM 0 HE3 LYS A 32 16.109 -2.727 -5.648 1.00 1.44 H new ATOM 0 HZ1 LYS A 32 15.963 -4.998 -5.037 1.00 2.12 H new ATOM 0 HZ2 LYS A 32 15.510 -4.105 -3.666 1.00 2.12 H new ATOM 0 HZ3 LYS A 32 14.325 -4.868 -4.613 1.00 2.12 H new ATOM 505 N ALA A 33 8.992 -0.703 -5.312 1.00 0.16 N ATOM 506 CA ALA A 33 7.747 -0.892 -4.580 1.00 0.14 C ATOM 507 C ALA A 33 6.906 -1.973 -5.242 1.00 0.14 C ATOM 508 O ALA A 33 6.495 -1.836 -6.392 1.00 0.15 O ATOM 509 CB ALA A 33 6.965 0.409 -4.495 1.00 0.16 C ATOM 0 H ALA A 33 8.980 -1.079 -6.260 1.00 0.16 H new ATOM 0 HA ALA A 33 7.991 -1.208 -3.566 1.00 0.14 H new ATOM 0 HB1 ALA A 33 6.040 0.242 -3.944 1.00 0.16 H new ATOM 0 HB2 ALA A 33 7.564 1.160 -3.980 1.00 0.16 H new ATOM 0 HB3 ALA A 33 6.730 0.759 -5.500 1.00 0.16 H new ATOM 515 N GLY A 34 6.653 -3.048 -4.511 1.00 0.17 N ATOM 516 CA GLY A 34 5.865 -4.136 -5.052 1.00 0.20 C ATOM 517 C GLY A 34 4.965 -4.760 -4.026 1.00 0.25 C ATOM 518 O GLY A 34 4.858 -4.284 -2.897 1.00 0.35 O ATOM 0 H GLY A 34 6.979 -3.187 -3.554 1.00 0.17 H new ATOM 0 HA2 GLY A 34 5.263 -3.766 -5.882 1.00 0.20 H new ATOM 0 HA3 GLY A 34 6.532 -4.897 -5.456 1.00 0.20 H new ATOM 522 N TYR A 35 4.309 -5.825 -4.433 1.00 0.20 N ATOM 523 CA TYR A 35 3.395 -6.535 -3.570 1.00 0.26 C ATOM 524 C TYR A 35 3.028 -7.856 -4.206 1.00 0.17 C ATOM 525 O TYR A 35 3.423 -8.132 -5.334 1.00 0.17 O ATOM 526 CB TYR A 35 2.137 -5.706 -3.340 1.00 0.40 C ATOM 527 CG TYR A 35 1.035 -5.985 -4.338 1.00 0.38 C ATOM 528 CD1 TYR A 35 1.055 -5.409 -5.600 1.00 0.50 C ATOM 529 CD2 TYR A 35 -0.030 -6.807 -4.014 1.00 0.31 C ATOM 530 CE1 TYR A 35 0.050 -5.644 -6.509 1.00 0.58 C ATOM 531 CE2 TYR A 35 -1.040 -7.051 -4.923 1.00 0.39 C ATOM 532 CZ TYR A 35 -0.976 -6.527 -6.170 1.00 0.53 C ATOM 533 OH TYR A 35 -2.002 -6.716 -7.066 1.00 0.66 O ATOM 0 H TYR A 35 4.395 -6.221 -5.369 1.00 0.20 H new ATOM 0 HA TYR A 35 3.877 -6.714 -2.609 1.00 0.26 H new ATOM 0 HB2 TYR A 35 1.763 -5.901 -2.335 1.00 0.40 H new ATOM 0 HB3 TYR A 35 2.396 -4.648 -3.384 1.00 0.40 H new ATOM 0 HD1 TYR A 35 1.876 -4.763 -5.874 1.00 0.50 H new ATOM 0 HD2 TYR A 35 -0.072 -7.264 -3.036 1.00 0.31 H new ATOM 0 HE1 TYR A 35 0.055 -5.153 -7.471 1.00 0.58 H new ATOM 0 HE2 TYR A 35 -1.884 -7.662 -4.639 1.00 0.39 H new ATOM 0 HH TYR A 35 -1.705 -6.455 -7.963 1.00 0.66 H new ATOM 543 N VAL A 36 2.249 -8.660 -3.511 1.00 0.14 N ATOM 544 CA VAL A 36 1.826 -9.921 -4.082 1.00 0.17 C ATOM 545 C VAL A 36 0.325 -10.122 -3.906 1.00 0.22 C ATOM 546 O VAL A 36 -0.275 -9.614 -2.962 1.00 0.51 O ATOM 547 CB VAL A 36 2.605 -11.125 -3.512 1.00 0.32 C ATOM 548 CG1 VAL A 36 2.799 -12.187 -4.582 1.00 1.38 C ATOM 549 CG2 VAL A 36 3.946 -10.690 -2.938 1.00 1.13 C ATOM 0 H VAL A 36 1.903 -8.469 -2.571 1.00 0.14 H new ATOM 0 HA VAL A 36 2.053 -9.872 -5.147 1.00 0.17 H new ATOM 0 HB VAL A 36 2.017 -11.553 -2.700 1.00 0.32 H new ATOM 0 HG11 VAL A 36 3.350 -13.029 -4.163 1.00 1.38 H new ATOM 0 HG12 VAL A 36 1.826 -12.530 -4.935 1.00 1.38 H new ATOM 0 HG13 VAL A 36 3.360 -11.765 -5.416 1.00 1.38 H new ATOM 0 HG21 VAL A 36 4.472 -11.559 -2.544 1.00 1.13 H new ATOM 0 HG22 VAL A 36 4.545 -10.228 -3.723 1.00 1.13 H new ATOM 0 HG23 VAL A 36 3.782 -9.971 -2.136 1.00 1.13 H new ATOM 559 N THR A 37 -0.281 -10.853 -4.829 1.00 0.28 N ATOM 560 CA THR A 37 -1.712 -11.113 -4.767 1.00 0.34 C ATOM 561 C THR A 37 -1.957 -12.537 -4.322 1.00 0.26 C ATOM 562 O THR A 37 -1.119 -13.405 -4.563 1.00 0.26 O ATOM 563 CB THR A 37 -2.397 -10.912 -6.132 1.00 0.55 C ATOM 564 OG1 THR A 37 -2.166 -12.051 -6.969 1.00 1.41 O ATOM 565 CG2 THR A 37 -1.888 -9.662 -6.822 1.00 0.88 C ATOM 0 H THR A 37 0.193 -11.276 -5.627 1.00 0.28 H new ATOM 0 HA THR A 37 -2.134 -10.403 -4.055 1.00 0.34 H new ATOM 0 HB THR A 37 -3.467 -10.797 -5.958 1.00 0.55 H new ATOM 0 HG1 THR A 37 -2.436 -11.842 -7.888 1.00 1.41 H new ATOM 0 HG21 THR A 37 -2.390 -9.547 -7.783 1.00 0.88 H new ATOM 0 HG22 THR A 37 -2.095 -8.792 -6.198 1.00 0.88 H new ATOM 0 HG23 THR A 37 -0.813 -9.747 -6.982 1.00 0.88 H new ATOM 573 N ASN A 38 -3.103 -12.778 -3.681 1.00 0.26 N ATOM 574 CA ASN A 38 -3.450 -14.118 -3.216 1.00 0.26 C ATOM 575 C ASN A 38 -3.374 -15.152 -4.350 1.00 0.31 C ATOM 576 O ASN A 38 -3.518 -16.351 -4.110 1.00 0.40 O ATOM 577 CB ASN A 38 -4.856 -14.114 -2.615 1.00 0.32 C ATOM 578 CG ASN A 38 -5.931 -14.327 -3.663 1.00 0.41 C ATOM 579 OD1 ASN A 38 -6.766 -15.222 -3.539 1.00 0.50 O ATOM 580 ND2 ASN A 38 -5.914 -13.501 -4.703 1.00 0.44 N ATOM 0 H ASN A 38 -3.802 -12.065 -3.474 1.00 0.26 H new ATOM 0 HA ASN A 38 -2.724 -14.402 -2.454 1.00 0.26 H new ATOM 0 HB2 ASN A 38 -4.928 -14.897 -1.860 1.00 0.32 H new ATOM 0 HB3 ASN A 38 -5.029 -13.165 -2.108 1.00 0.32 H new ATOM 0 HD21 ASN A 38 -6.613 -13.595 -5.440 1.00 0.44 H new ATOM 0 HD22 ASN A 38 -5.202 -12.773 -4.764 1.00 0.44 H new ATOM 587 N ARG A 39 -3.141 -14.689 -5.582 1.00 0.32 N ATOM 588 CA ARG A 39 -3.043 -15.585 -6.735 1.00 0.43 C ATOM 589 C ARG A 39 -1.590 -15.945 -7.007 1.00 0.43 C ATOM 590 O ARG A 39 -1.292 -16.920 -7.696 1.00 0.65 O ATOM 591 CB ARG A 39 -3.632 -14.918 -7.980 1.00 0.51 C ATOM 592 CG ARG A 39 -4.917 -14.148 -7.714 1.00 0.55 C ATOM 593 CD ARG A 39 -5.048 -12.948 -8.639 1.00 0.61 C ATOM 594 NE ARG A 39 -5.530 -13.326 -9.965 1.00 1.05 N ATOM 595 CZ ARG A 39 -6.790 -13.178 -10.362 1.00 1.22 C ATOM 596 NH1 ARG A 39 -7.693 -12.666 -9.536 1.00 1.88 N ATOM 597 NH2 ARG A 39 -7.150 -13.543 -11.586 1.00 1.58 N ATOM 0 H ARG A 39 -3.017 -13.701 -5.805 1.00 0.32 H new ATOM 0 HA ARG A 39 -3.605 -16.491 -6.507 1.00 0.43 H new ATOM 0 HB2 ARG A 39 -2.892 -14.237 -8.401 1.00 0.51 H new ATOM 0 HB3 ARG A 39 -3.826 -15.682 -8.733 1.00 0.51 H new ATOM 0 HG2 ARG A 39 -5.773 -14.809 -7.850 1.00 0.55 H new ATOM 0 HG3 ARG A 39 -4.934 -13.813 -6.677 1.00 0.55 H new ATOM 0 HD2 ARG A 39 -5.733 -12.224 -8.198 1.00 0.61 H new ATOM 0 HD3 ARG A 39 -4.080 -12.456 -8.732 1.00 0.61 H new ATOM 0 HE ARG A 39 -4.862 -13.726 -10.624 1.00 1.05 H new ATOM 0 HH11 ARG A 39 -7.421 -12.385 -8.594 1.00 1.88 H new ATOM 0 HH12 ARG A 39 -8.659 -12.553 -9.843 1.00 1.88 H new ATOM 0 HH21 ARG A 39 -6.459 -13.938 -12.224 1.00 1.58 H new ATOM 0 HH22 ARG A 39 -8.117 -13.429 -11.889 1.00 1.58 H new ATOM 611 N GLY A 40 -0.697 -15.127 -6.474 1.00 0.37 N ATOM 612 CA GLY A 40 0.721 -15.328 -6.668 1.00 0.38 C ATOM 613 C GLY A 40 1.285 -14.305 -7.624 1.00 0.33 C ATOM 614 O GLY A 40 2.129 -14.624 -8.463 1.00 0.37 O ATOM 0 H GLY A 40 -0.935 -14.316 -5.903 1.00 0.37 H new ATOM 0 HA2 GLY A 40 1.236 -15.259 -5.710 1.00 0.38 H new ATOM 0 HA3 GLY A 40 0.900 -16.331 -7.055 1.00 0.38 H new ATOM 618 N ARG A 41 0.805 -13.067 -7.507 1.00 0.28 N ATOM 619 CA ARG A 41 1.265 -11.995 -8.390 1.00 0.25 C ATOM 620 C ARG A 41 2.159 -11.005 -7.657 1.00 0.26 C ATOM 621 O ARG A 41 1.686 -10.249 -6.818 1.00 0.54 O ATOM 622 CB ARG A 41 0.084 -11.243 -9.005 1.00 0.29 C ATOM 623 CG ARG A 41 0.387 -9.777 -9.321 1.00 0.29 C ATOM 624 CD ARG A 41 -0.249 -9.355 -10.635 1.00 0.40 C ATOM 625 NE ARG A 41 0.240 -10.149 -11.758 1.00 0.97 N ATOM 626 CZ ARG A 41 0.014 -9.843 -13.032 1.00 1.06 C ATOM 627 NH1 ARG A 41 -0.693 -8.765 -13.344 1.00 1.54 N ATOM 628 NH2 ARG A 41 0.497 -10.616 -13.996 1.00 1.61 N ATOM 0 H ARG A 41 0.107 -12.784 -6.819 1.00 0.28 H new ATOM 0 HA ARG A 41 1.844 -12.470 -9.182 1.00 0.25 H new ATOM 0 HB2 ARG A 41 -0.219 -11.748 -9.922 1.00 0.29 H new ATOM 0 HB3 ARG A 41 -0.762 -11.291 -8.320 1.00 0.29 H new ATOM 0 HG2 ARG A 41 0.016 -9.144 -8.515 1.00 0.29 H new ATOM 0 HG3 ARG A 41 1.466 -9.629 -9.372 1.00 0.29 H new ATOM 0 HD2 ARG A 41 -1.332 -9.457 -10.563 1.00 0.40 H new ATOM 0 HD3 ARG A 41 -0.039 -8.301 -10.817 1.00 0.40 H new ATOM 0 HE ARG A 41 0.786 -10.986 -11.554 1.00 0.97 H new ATOM 0 HH11 ARG A 41 -1.065 -8.168 -12.606 1.00 1.54 H new ATOM 0 HH12 ARG A 41 -0.864 -8.533 -14.322 1.00 1.54 H new ATOM 0 HH21 ARG A 41 1.042 -11.445 -13.760 1.00 1.61 H new ATOM 0 HH22 ARG A 41 0.323 -10.381 -14.973 1.00 1.61 H new ATOM 642 N GLN A 42 3.443 -10.990 -7.995 1.00 0.26 N ATOM 643 CA GLN A 42 4.379 -10.064 -7.368 1.00 0.27 C ATOM 644 C GLN A 42 4.687 -8.890 -8.296 1.00 0.28 C ATOM 645 O GLN A 42 5.227 -9.082 -9.387 1.00 0.32 O ATOM 646 CB GLN A 42 5.673 -10.791 -6.996 1.00 0.34 C ATOM 647 CG GLN A 42 6.243 -10.375 -5.650 1.00 0.76 C ATOM 648 CD GLN A 42 6.745 -11.556 -4.840 1.00 0.89 C ATOM 649 OE1 GLN A 42 7.845 -11.523 -4.290 1.00 1.18 O ATOM 650 NE2 GLN A 42 5.937 -12.608 -4.764 1.00 1.37 N ATOM 0 H GLN A 42 3.858 -11.604 -8.695 1.00 0.26 H new ATOM 0 HA GLN A 42 3.916 -9.674 -6.461 1.00 0.27 H new ATOM 0 HB2 GLN A 42 5.486 -11.865 -6.985 1.00 0.34 H new ATOM 0 HB3 GLN A 42 6.419 -10.606 -7.769 1.00 0.34 H new ATOM 0 HG2 GLN A 42 7.062 -9.673 -5.807 1.00 0.76 H new ATOM 0 HG3 GLN A 42 5.476 -9.849 -5.082 1.00 0.76 H new ATOM 0 HE21 GLN A 42 5.033 -12.592 -5.236 1.00 1.37 H new ATOM 0 HE22 GLN A 42 6.221 -13.432 -4.233 1.00 1.37 H new ATOM 659 N LYS A 43 4.351 -7.672 -7.862 1.00 0.33 N ATOM 660 CA LYS A 43 4.614 -6.479 -8.680 1.00 0.38 C ATOM 661 C LYS A 43 5.810 -5.714 -8.167 1.00 0.27 C ATOM 662 O LYS A 43 6.308 -5.979 -7.074 1.00 0.20 O ATOM 663 CB LYS A 43 3.426 -5.518 -8.696 1.00 0.53 C ATOM 664 CG LYS A 43 2.100 -6.184 -8.947 1.00 0.36 C ATOM 665 CD LYS A 43 2.067 -6.882 -10.298 1.00 0.39 C ATOM 666 CE LYS A 43 1.929 -5.885 -11.437 1.00 0.57 C ATOM 667 NZ LYS A 43 3.202 -5.723 -12.191 1.00 1.77 N ATOM 0 H LYS A 43 3.904 -7.484 -6.965 1.00 0.33 H new ATOM 0 HA LYS A 43 4.801 -6.848 -9.688 1.00 0.38 H new ATOM 0 HB2 LYS A 43 3.383 -4.995 -7.741 1.00 0.53 H new ATOM 0 HB3 LYS A 43 3.593 -4.764 -9.465 1.00 0.53 H new ATOM 0 HG2 LYS A 43 1.902 -6.909 -8.158 1.00 0.36 H new ATOM 0 HG3 LYS A 43 1.305 -5.440 -8.903 1.00 0.36 H new ATOM 0 HD2 LYS A 43 2.979 -7.463 -10.431 1.00 0.39 H new ATOM 0 HD3 LYS A 43 1.234 -7.585 -10.325 1.00 0.39 H new ATOM 0 HE2 LYS A 43 1.144 -6.217 -12.117 1.00 0.57 H new ATOM 0 HE3 LYS A 43 1.618 -4.919 -11.038 1.00 0.57 H new ATOM 0 HZ1 LYS A 43 3.066 -5.035 -12.959 1.00 1.77 H new ATOM 0 HZ2 LYS A 43 3.945 -5.382 -11.548 1.00 1.77 H new ATOM 0 HZ3 LYS A 43 3.486 -6.639 -12.593 1.00 1.77 H new ATOM 681 N VAL A 44 6.235 -4.736 -8.961 1.00 0.34 N ATOM 682 CA VAL A 44 7.348 -3.880 -8.597 1.00 0.28 C ATOM 683 C VAL A 44 7.289 -2.560 -9.378 1.00 0.32 C ATOM 684 O VAL A 44 6.944 -2.549 -10.560 1.00 0.46 O ATOM 685 CB VAL A 44 8.707 -4.574 -8.829 1.00 0.37 C ATOM 686 CG1 VAL A 44 9.073 -4.588 -10.307 1.00 1.34 C ATOM 687 CG2 VAL A 44 9.793 -3.896 -8.010 1.00 1.47 C ATOM 0 H VAL A 44 5.819 -4.519 -9.867 1.00 0.34 H new ATOM 0 HA VAL A 44 7.260 -3.669 -7.531 1.00 0.28 H new ATOM 0 HB VAL A 44 8.620 -5.610 -8.500 1.00 0.37 H new ATOM 0 HG11 VAL A 44 10.035 -5.083 -10.439 1.00 1.34 H new ATOM 0 HG12 VAL A 44 8.308 -5.127 -10.866 1.00 1.34 H new ATOM 0 HG13 VAL A 44 9.138 -3.564 -10.675 1.00 1.34 H new ATOM 0 HG21 VAL A 44 10.746 -4.396 -8.184 1.00 1.47 H new ATOM 0 HG22 VAL A 44 9.873 -2.850 -8.307 1.00 1.47 H new ATOM 0 HG23 VAL A 44 9.540 -3.955 -6.951 1.00 1.47 H new ATOM 697 N VAL A 45 7.613 -1.449 -8.713 1.00 0.21 N ATOM 698 CA VAL A 45 7.579 -0.131 -9.353 1.00 0.26 C ATOM 699 C VAL A 45 8.658 0.791 -8.798 1.00 0.23 C ATOM 700 O VAL A 45 9.328 0.460 -7.824 1.00 0.27 O ATOM 701 CB VAL A 45 6.208 0.558 -9.165 1.00 0.30 C ATOM 702 CG1 VAL A 45 5.075 -0.341 -9.637 1.00 0.50 C ATOM 703 CG2 VAL A 45 6.006 0.964 -7.712 1.00 0.33 C ATOM 0 H VAL A 45 7.901 -1.435 -7.735 1.00 0.21 H new ATOM 0 HA VAL A 45 7.758 -0.305 -10.414 1.00 0.26 H new ATOM 0 HB VAL A 45 6.197 1.460 -9.777 1.00 0.30 H new ATOM 0 HG11 VAL A 45 4.122 0.169 -9.493 1.00 0.50 H new ATOM 0 HG12 VAL A 45 5.208 -0.570 -10.694 1.00 0.50 H new ATOM 0 HG13 VAL A 45 5.082 -1.267 -9.062 1.00 0.50 H new ATOM 0 HG21 VAL A 45 5.035 1.447 -7.601 1.00 0.33 H new ATOM 0 HG22 VAL A 45 6.045 0.078 -7.078 1.00 0.33 H new ATOM 0 HG23 VAL A 45 6.793 1.658 -7.415 1.00 0.33 H new ATOM 713 N THR A 46 8.804 1.960 -9.419 1.00 0.29 N ATOM 714 CA THR A 46 9.787 2.941 -8.978 1.00 0.27 C ATOM 715 C THR A 46 9.101 4.149 -8.360 1.00 0.26 C ATOM 716 O THR A 46 8.067 4.606 -8.845 1.00 0.31 O ATOM 717 CB THR A 46 10.689 3.425 -10.127 1.00 0.33 C ATOM 718 OG1 THR A 46 9.911 4.142 -11.093 1.00 0.39 O ATOM 719 CG2 THR A 46 11.388 2.253 -10.801 1.00 0.39 C ATOM 0 H THR A 46 8.254 2.248 -10.228 1.00 0.29 H new ATOM 0 HA THR A 46 10.409 2.439 -8.237 1.00 0.27 H new ATOM 0 HB THR A 46 11.447 4.086 -9.708 1.00 0.33 H new ATOM 0 HG1 THR A 46 10.493 4.448 -11.820 1.00 0.39 H new ATOM 0 HG21 THR A 46 12.019 2.622 -11.609 1.00 0.39 H new ATOM 0 HG22 THR A 46 12.004 1.728 -10.071 1.00 0.39 H new ATOM 0 HG23 THR A 46 10.642 1.569 -11.206 1.00 0.39 H new ATOM 727 N LEU A 47 9.677 4.656 -7.279 1.00 0.22 N ATOM 728 CA LEU A 47 9.111 5.808 -6.586 1.00 0.24 C ATOM 729 C LEU A 47 9.729 7.119 -7.058 1.00 0.29 C ATOM 730 O LEU A 47 10.922 7.194 -7.351 1.00 0.36 O ATOM 731 CB LEU A 47 9.290 5.658 -5.074 1.00 0.35 C ATOM 732 CG LEU A 47 8.390 4.607 -4.421 1.00 0.52 C ATOM 733 CD1 LEU A 47 6.949 4.754 -4.893 1.00 0.74 C ATOM 734 CD2 LEU A 47 8.910 3.209 -4.717 1.00 1.31 C ATOM 0 H LEU A 47 10.533 4.290 -6.863 1.00 0.22 H new ATOM 0 HA LEU A 47 8.048 5.840 -6.824 1.00 0.24 H new ATOM 0 HB2 LEU A 47 10.330 5.403 -4.869 1.00 0.35 H new ATOM 0 HB3 LEU A 47 9.100 6.622 -4.603 1.00 0.35 H new ATOM 0 HG LEU A 47 8.408 4.764 -3.343 1.00 0.52 H new ATOM 0 HD11 LEU A 47 6.330 3.995 -4.414 1.00 0.74 H new ATOM 0 HD12 LEU A 47 6.579 5.744 -4.628 1.00 0.74 H new ATOM 0 HD13 LEU A 47 6.906 4.628 -5.975 1.00 0.74 H new ATOM 0 HD21 LEU A 47 8.260 2.472 -4.246 1.00 1.31 H new ATOM 0 HD22 LEU A 47 8.923 3.046 -5.795 1.00 1.31 H new ATOM 0 HD23 LEU A 47 9.921 3.106 -4.323 1.00 1.31 H new ATOM 746 N THR A 48 8.895 8.153 -7.119 1.00 0.29 N ATOM 747 CA THR A 48 9.330 9.477 -7.541 1.00 0.38 C ATOM 748 C THR A 48 8.686 10.549 -6.669 1.00 0.37 C ATOM 749 O THR A 48 7.480 10.782 -6.751 1.00 0.37 O ATOM 750 CB THR A 48 8.971 9.746 -9.015 1.00 0.46 C ATOM 751 OG1 THR A 48 7.769 9.049 -9.363 1.00 0.52 O ATOM 752 CG2 THR A 48 10.101 9.307 -9.937 1.00 0.60 C ATOM 0 H THR A 48 7.905 8.096 -6.879 1.00 0.29 H new ATOM 0 HA THR A 48 10.414 9.513 -7.433 1.00 0.38 H new ATOM 0 HB THR A 48 8.818 10.818 -9.137 1.00 0.46 H new ATOM 0 HG1 THR A 48 7.547 9.227 -10.301 1.00 0.52 H new ATOM 0 HG21 THR A 48 9.824 9.507 -10.972 1.00 0.60 H new ATOM 0 HG22 THR A 48 11.007 9.860 -9.690 1.00 0.60 H new ATOM 0 HG23 THR A 48 10.281 8.240 -9.809 1.00 0.60 H new ATOM 760 N ASP A 49 9.495 11.187 -5.825 1.00 0.40 N ATOM 761 CA ASP A 49 9.002 12.226 -4.922 1.00 0.42 C ATOM 762 C ASP A 49 8.041 11.634 -3.894 1.00 0.39 C ATOM 763 O ASP A 49 7.292 12.358 -3.239 1.00 0.48 O ATOM 764 CB ASP A 49 8.310 13.343 -5.709 1.00 0.45 C ATOM 765 CG ASP A 49 8.737 14.725 -5.249 1.00 1.01 C ATOM 766 OD1 ASP A 49 9.936 15.050 -5.380 1.00 1.01 O ATOM 767 OD2 ASP A 49 7.873 15.479 -4.756 1.00 1.86 O ATOM 0 H ASP A 49 10.495 11.003 -5.747 1.00 0.40 H new ATOM 0 HA ASP A 49 9.857 12.650 -4.396 1.00 0.42 H new ATOM 0 HB2 ASP A 49 8.536 13.230 -6.769 1.00 0.45 H new ATOM 0 HB3 ASP A 49 7.230 13.245 -5.601 1.00 0.45 H new ATOM 772 N THR A 50 8.073 10.310 -3.760 1.00 0.33 N ATOM 773 CA THR A 50 7.212 9.609 -2.813 1.00 0.30 C ATOM 774 C THR A 50 7.982 9.247 -1.544 1.00 0.35 C ATOM 775 O THR A 50 9.023 8.592 -1.606 1.00 0.45 O ATOM 776 CB THR A 50 6.628 8.323 -3.429 1.00 0.25 C ATOM 777 OG1 THR A 50 7.508 7.220 -3.189 1.00 0.73 O ATOM 778 CG2 THR A 50 6.407 8.486 -4.926 1.00 0.56 C ATOM 0 H THR A 50 8.689 9.700 -4.298 1.00 0.33 H new ATOM 0 HA THR A 50 6.394 10.285 -2.564 1.00 0.30 H new ATOM 0 HB THR A 50 5.665 8.129 -2.957 1.00 0.25 H new ATOM 0 HG1 THR A 50 8.368 7.554 -2.857 1.00 0.73 H new ATOM 0 HG21 THR A 50 5.994 7.564 -5.335 1.00 0.56 H new ATOM 0 HG22 THR A 50 5.711 9.306 -5.104 1.00 0.56 H new ATOM 0 HG23 THR A 50 7.357 8.705 -5.412 1.00 0.56 H new ATOM 786 N THR A 51 7.465 9.676 -0.396 1.00 0.41 N ATOM 787 CA THR A 51 8.107 9.394 0.886 1.00 0.48 C ATOM 788 C THR A 51 8.147 7.895 1.152 1.00 0.35 C ATOM 789 O THR A 51 7.560 7.116 0.407 1.00 0.33 O ATOM 790 CB THR A 51 7.383 10.091 2.052 1.00 0.64 C ATOM 791 OG1 THR A 51 6.567 11.159 1.554 1.00 0.63 O ATOM 792 CG2 THR A 51 8.384 10.643 3.053 1.00 0.84 C ATOM 0 H THR A 51 6.605 10.219 -0.326 1.00 0.41 H new ATOM 0 HA THR A 51 9.123 9.783 0.823 1.00 0.48 H new ATOM 0 HB THR A 51 6.754 9.355 2.553 1.00 0.64 H new ATOM 0 HG1 THR A 51 6.499 11.863 2.233 1.00 0.63 H new ATOM 0 HG21 THR A 51 7.851 11.131 3.869 1.00 0.84 H new ATOM 0 HG22 THR A 51 8.988 9.828 3.451 1.00 0.84 H new ATOM 0 HG23 THR A 51 9.032 11.367 2.558 1.00 0.84 H new ATOM 800 N ASN A 52 8.847 7.500 2.215 1.00 0.30 N ATOM 801 CA ASN A 52 8.968 6.089 2.575 1.00 0.26 C ATOM 802 C ASN A 52 7.608 5.398 2.553 1.00 0.19 C ATOM 803 O ASN A 52 7.405 4.420 1.830 1.00 0.20 O ATOM 804 CB ASN A 52 9.608 5.940 3.960 1.00 0.29 C ATOM 805 CG ASN A 52 8.809 6.623 5.055 1.00 0.54 C ATOM 806 OD1 ASN A 52 8.359 5.980 6.001 1.00 0.71 O ATOM 807 ND2 ASN A 52 8.625 7.933 4.931 1.00 0.80 N ATOM 0 H ASN A 52 9.339 8.138 2.841 1.00 0.30 H new ATOM 0 HA ASN A 52 9.609 5.610 1.835 1.00 0.26 H new ATOM 0 HB2 ASN A 52 9.708 4.881 4.197 1.00 0.29 H new ATOM 0 HB3 ASN A 52 10.614 6.358 3.937 1.00 0.29 H new ATOM 0 HD21 ASN A 52 8.093 8.442 5.637 1.00 0.80 H new ATOM 0 HD22 ASN A 52 9.016 8.429 4.130 1.00 0.80 H new ATOM 814 N GLN A 53 6.677 5.915 3.340 1.00 0.17 N ATOM 815 CA GLN A 53 5.340 5.351 3.404 1.00 0.20 C ATOM 816 C GLN A 53 4.657 5.443 2.045 1.00 0.24 C ATOM 817 O GLN A 53 3.870 4.573 1.676 1.00 0.34 O ATOM 818 CB GLN A 53 4.517 6.070 4.469 1.00 0.27 C ATOM 819 CG GLN A 53 5.250 6.228 5.790 1.00 0.89 C ATOM 820 CD GLN A 53 5.207 7.653 6.307 1.00 1.75 C ATOM 821 OE1 GLN A 53 6.080 8.466 6.003 1.00 2.48 O ATOM 822 NE2 GLN A 53 4.186 7.956 7.093 1.00 1.81 N ATOM 0 H GLN A 53 6.824 6.724 3.943 1.00 0.17 H new ATOM 0 HA GLN A 53 5.417 4.298 3.676 1.00 0.20 H new ATOM 0 HB2 GLN A 53 4.236 7.055 4.097 1.00 0.27 H new ATOM 0 HB3 GLN A 53 3.593 5.518 4.638 1.00 0.27 H new ATOM 0 HG2 GLN A 53 4.807 5.562 6.530 1.00 0.89 H new ATOM 0 HG3 GLN A 53 6.288 5.920 5.666 1.00 0.89 H new ATOM 0 HE21 GLN A 53 3.487 7.248 7.317 1.00 1.81 H new ATOM 0 HE22 GLN A 53 4.098 8.898 7.475 1.00 1.81 H new ATOM 831 N LYS A 54 4.975 6.498 1.298 1.00 0.20 N ATOM 832 CA LYS A 54 4.398 6.689 -0.027 1.00 0.27 C ATOM 833 C LYS A 54 4.911 5.626 -0.987 1.00 0.24 C ATOM 834 O LYS A 54 4.217 5.248 -1.926 1.00 0.27 O ATOM 835 CB LYS A 54 4.706 8.079 -0.576 1.00 0.34 C ATOM 836 CG LYS A 54 3.584 9.079 -0.348 1.00 0.50 C ATOM 837 CD LYS A 54 3.913 10.037 0.784 1.00 0.80 C ATOM 838 CE LYS A 54 3.777 9.369 2.141 1.00 0.61 C ATOM 839 NZ LYS A 54 4.386 10.190 3.223 1.00 1.52 N ATOM 0 H LYS A 54 5.625 7.229 1.587 1.00 0.20 H new ATOM 0 HA LYS A 54 3.316 6.595 0.068 1.00 0.27 H new ATOM 0 HB2 LYS A 54 5.617 8.453 -0.108 1.00 0.34 H new ATOM 0 HB3 LYS A 54 4.904 8.004 -1.645 1.00 0.34 H new ATOM 0 HG2 LYS A 54 3.407 9.643 -1.264 1.00 0.50 H new ATOM 0 HG3 LYS A 54 2.661 8.546 -0.118 1.00 0.50 H new ATOM 0 HD2 LYS A 54 4.930 10.409 0.662 1.00 0.80 H new ATOM 0 HD3 LYS A 54 3.249 10.900 0.735 1.00 0.80 H new ATOM 0 HE2 LYS A 54 2.722 9.203 2.360 1.00 0.61 H new ATOM 0 HE3 LYS A 54 4.255 8.390 2.114 1.00 0.61 H new ATOM 0 HZ1 LYS A 54 5.097 9.625 3.730 1.00 1.52 H new ATOM 0 HZ2 LYS A 54 4.842 11.028 2.808 1.00 1.52 H new ATOM 0 HZ3 LYS A 54 3.646 10.492 3.888 1.00 1.52 H new ATOM 853 N THR A 55 6.119 5.121 -0.731 1.00 0.21 N ATOM 854 CA THR A 55 6.680 4.072 -1.568 1.00 0.23 C ATOM 855 C THR A 55 5.789 2.859 -1.445 1.00 0.19 C ATOM 856 O THR A 55 5.550 2.126 -2.405 1.00 0.21 O ATOM 857 CB THR A 55 8.117 3.688 -1.157 1.00 0.29 C ATOM 858 OG1 THR A 55 8.087 2.787 -0.044 1.00 0.30 O ATOM 859 CG2 THR A 55 8.933 4.918 -0.796 1.00 0.34 C ATOM 0 H THR A 55 6.717 5.420 0.040 1.00 0.21 H new ATOM 0 HA THR A 55 6.729 4.439 -2.593 1.00 0.23 H new ATOM 0 HB THR A 55 8.590 3.199 -2.009 1.00 0.29 H new ATOM 0 HG1 THR A 55 7.931 3.292 0.781 1.00 0.30 H new ATOM 0 HG21 THR A 55 9.941 4.615 -0.511 1.00 0.34 H new ATOM 0 HG22 THR A 55 8.984 5.586 -1.656 1.00 0.34 H new ATOM 0 HG23 THR A 55 8.460 5.436 0.038 1.00 0.34 H new ATOM 867 N GLU A 56 5.271 2.692 -0.238 1.00 0.16 N ATOM 868 CA GLU A 56 4.360 1.611 0.075 1.00 0.18 C ATOM 869 C GLU A 56 2.960 1.990 -0.387 1.00 0.18 C ATOM 870 O GLU A 56 2.129 1.128 -0.666 1.00 0.22 O ATOM 871 CB GLU A 56 4.380 1.336 1.577 1.00 0.19 C ATOM 872 CG GLU A 56 5.584 1.947 2.280 1.00 0.21 C ATOM 873 CD GLU A 56 6.757 0.990 2.369 1.00 0.39 C ATOM 874 OE1 GLU A 56 6.523 -0.237 2.358 1.00 0.52 O ATOM 875 OE2 GLU A 56 7.909 1.466 2.449 1.00 0.65 O ATOM 0 H GLU A 56 5.473 3.306 0.551 1.00 0.16 H new ATOM 0 HA GLU A 56 4.669 0.702 -0.442 1.00 0.18 H new ATOM 0 HB2 GLU A 56 3.467 1.729 2.025 1.00 0.19 H new ATOM 0 HB3 GLU A 56 4.378 0.259 1.743 1.00 0.19 H new ATOM 0 HG2 GLU A 56 5.893 2.846 1.747 1.00 0.21 H new ATOM 0 HG3 GLU A 56 5.295 2.256 3.285 1.00 0.21 H new ATOM 882 N LEU A 57 2.721 3.299 -0.485 1.00 0.18 N ATOM 883 CA LEU A 57 1.437 3.817 -0.940 1.00 0.22 C ATOM 884 C LEU A 57 1.279 3.540 -2.425 1.00 0.23 C ATOM 885 O LEU A 57 0.206 3.159 -2.889 1.00 0.29 O ATOM 886 CB LEU A 57 1.335 5.325 -0.683 1.00 0.25 C ATOM 887 CG LEU A 57 0.365 5.760 0.424 1.00 0.42 C ATOM 888 CD1 LEU A 57 -0.871 4.872 0.460 1.00 0.99 C ATOM 889 CD2 LEU A 57 1.065 5.760 1.773 1.00 1.24 C ATOM 0 H LEU A 57 3.405 4.019 -0.254 1.00 0.18 H new ATOM 0 HA LEU A 57 0.643 3.319 -0.384 1.00 0.22 H new ATOM 0 HB2 LEU A 57 2.328 5.698 -0.434 1.00 0.25 H new ATOM 0 HB3 LEU A 57 1.035 5.811 -1.611 1.00 0.25 H new ATOM 0 HG LEU A 57 0.036 6.775 0.201 1.00 0.42 H new ATOM 0 HD11 LEU A 57 -1.537 5.207 1.255 1.00 0.99 H new ATOM 0 HD12 LEU A 57 -1.390 4.931 -0.497 1.00 0.99 H new ATOM 0 HD13 LEU A 57 -0.573 3.841 0.648 1.00 0.99 H new ATOM 0 HD21 LEU A 57 0.363 6.071 2.547 1.00 1.24 H new ATOM 0 HD22 LEU A 57 1.428 4.756 1.994 1.00 1.24 H new ATOM 0 HD23 LEU A 57 1.906 6.453 1.746 1.00 1.24 H new ATOM 901 N GLN A 58 2.369 3.711 -3.166 1.00 0.20 N ATOM 902 CA GLN A 58 2.356 3.452 -4.592 1.00 0.20 C ATOM 903 C GLN A 58 2.066 1.976 -4.812 1.00 0.20 C ATOM 904 O GLN A 58 1.150 1.605 -5.552 1.00 0.22 O ATOM 905 CB GLN A 58 3.689 3.844 -5.232 1.00 0.20 C ATOM 906 CG GLN A 58 3.763 3.531 -6.720 1.00 0.22 C ATOM 907 CD GLN A 58 2.485 3.888 -7.461 1.00 0.23 C ATOM 908 OE1 GLN A 58 2.207 5.061 -7.712 1.00 0.27 O ATOM 909 NE2 GLN A 58 1.701 2.873 -7.817 1.00 0.24 N ATOM 0 H GLN A 58 3.267 4.027 -2.800 1.00 0.20 H new ATOM 0 HA GLN A 58 1.581 4.055 -5.065 1.00 0.20 H new ATOM 0 HB2 GLN A 58 3.854 4.911 -5.085 1.00 0.20 H new ATOM 0 HB3 GLN A 58 4.497 3.323 -4.718 1.00 0.20 H new ATOM 0 HG2 GLN A 58 4.597 4.077 -7.160 1.00 0.22 H new ATOM 0 HG3 GLN A 58 3.971 2.469 -6.853 1.00 0.22 H new ATOM 0 HE21 GLN A 58 1.970 1.916 -7.588 1.00 0.24 H new ATOM 0 HE22 GLN A 58 0.831 3.052 -8.318 1.00 0.24 H new ATOM 918 N ALA A 59 2.828 1.136 -4.119 1.00 0.21 N ATOM 919 CA ALA A 59 2.629 -0.298 -4.197 1.00 0.21 C ATOM 920 C ALA A 59 1.205 -0.617 -3.773 1.00 0.19 C ATOM 921 O ALA A 59 0.564 -1.508 -4.327 1.00 0.20 O ATOM 922 CB ALA A 59 3.632 -1.030 -3.317 1.00 0.24 C ATOM 0 H ALA A 59 3.585 1.427 -3.500 1.00 0.21 H new ATOM 0 HA ALA A 59 2.787 -0.633 -5.222 1.00 0.21 H new ATOM 0 HB1 ALA A 59 3.465 -2.105 -3.391 1.00 0.24 H new ATOM 0 HB2 ALA A 59 4.644 -0.797 -3.648 1.00 0.24 H new ATOM 0 HB3 ALA A 59 3.507 -0.713 -2.282 1.00 0.24 H new ATOM 928 N ILE A 60 0.714 0.143 -2.794 1.00 0.20 N ATOM 929 CA ILE A 60 -0.647 -0.028 -2.298 1.00 0.21 C ATOM 930 C ILE A 60 -1.629 0.018 -3.461 1.00 0.20 C ATOM 931 O ILE A 60 -2.492 -0.850 -3.593 1.00 0.21 O ATOM 932 CB ILE A 60 -1.006 1.055 -1.252 1.00 0.25 C ATOM 933 CG1 ILE A 60 -0.797 0.506 0.155 1.00 0.19 C ATOM 934 CG2 ILE A 60 -2.439 1.541 -1.423 1.00 0.43 C ATOM 935 CD1 ILE A 60 -0.546 1.579 1.191 1.00 0.67 C ATOM 0 H ILE A 60 1.241 0.883 -2.330 1.00 0.20 H new ATOM 0 HA ILE A 60 -0.712 -0.999 -1.807 1.00 0.21 H new ATOM 0 HB ILE A 60 -0.347 1.909 -1.407 1.00 0.25 H new ATOM 0 HG12 ILE A 60 -1.676 -0.070 0.446 1.00 0.19 H new ATOM 0 HG13 ILE A 60 0.047 -0.183 0.146 1.00 0.19 H new ATOM 0 HG21 ILE A 60 -2.658 2.301 -0.673 1.00 0.43 H new ATOM 0 HG22 ILE A 60 -2.562 1.968 -2.418 1.00 0.43 H new ATOM 0 HG23 ILE A 60 -3.125 0.702 -1.301 1.00 0.43 H new ATOM 0 HD11 ILE A 60 -0.406 1.116 2.168 1.00 0.67 H new ATOM 0 HD12 ILE A 60 0.349 2.140 0.924 1.00 0.67 H new ATOM 0 HD13 ILE A 60 -1.400 2.255 1.229 1.00 0.67 H new ATOM 947 N TYR A 61 -1.467 1.026 -4.315 1.00 0.22 N ATOM 948 CA TYR A 61 -2.314 1.180 -5.491 1.00 0.24 C ATOM 949 C TYR A 61 -2.378 -0.140 -6.242 1.00 0.25 C ATOM 950 O TYR A 61 -3.433 -0.542 -6.733 1.00 0.27 O ATOM 951 CB TYR A 61 -1.752 2.295 -6.387 1.00 0.27 C ATOM 952 CG TYR A 61 -1.966 2.098 -7.876 1.00 0.22 C ATOM 953 CD1 TYR A 61 -1.116 1.282 -8.613 1.00 0.26 C ATOM 954 CD2 TYR A 61 -3.031 2.708 -8.542 1.00 0.24 C ATOM 955 CE1 TYR A 61 -1.312 1.081 -9.966 1.00 0.30 C ATOM 956 CE2 TYR A 61 -3.233 2.504 -9.894 1.00 0.27 C ATOM 957 CZ TYR A 61 -2.348 1.785 -10.616 1.00 0.30 C ATOM 958 OH TYR A 61 -2.572 1.487 -11.947 1.00 0.38 O ATOM 0 H TYR A 61 -0.755 1.749 -4.213 1.00 0.22 H new ATOM 0 HA TYR A 61 -3.324 1.457 -5.189 1.00 0.24 H new ATOM 0 HB2 TYR A 61 -2.208 3.240 -6.093 1.00 0.27 H new ATOM 0 HB3 TYR A 61 -0.682 2.385 -6.199 1.00 0.27 H new ATOM 0 HD1 TYR A 61 -0.287 0.796 -8.119 1.00 0.26 H new ATOM 0 HD2 TYR A 61 -3.706 3.348 -7.993 1.00 0.24 H new ATOM 0 HE1 TYR A 61 -0.683 0.397 -10.517 1.00 0.30 H new ATOM 0 HE2 TYR A 61 -4.104 2.923 -10.376 1.00 0.27 H new ATOM 0 HH TYR A 61 -3.311 2.035 -12.285 1.00 0.38 H new ATOM 968 N LEU A 62 -1.236 -0.815 -6.308 1.00 0.25 N ATOM 969 CA LEU A 62 -1.144 -2.104 -6.980 1.00 0.26 C ATOM 970 C LEU A 62 -1.959 -3.160 -6.237 1.00 0.25 C ATOM 971 O LEU A 62 -2.799 -3.836 -6.830 1.00 0.28 O ATOM 972 CB LEU A 62 0.308 -2.555 -7.060 1.00 0.30 C ATOM 973 CG LEU A 62 1.300 -1.501 -7.556 1.00 0.54 C ATOM 974 CD1 LEU A 62 2.726 -1.918 -7.233 1.00 0.55 C ATOM 975 CD2 LEU A 62 1.137 -1.284 -9.053 1.00 0.91 C ATOM 0 H LEU A 62 -0.359 -0.489 -5.903 1.00 0.25 H new ATOM 0 HA LEU A 62 -1.545 -1.988 -7.987 1.00 0.26 H new ATOM 0 HB2 LEU A 62 0.622 -2.887 -6.070 1.00 0.30 H new ATOM 0 HB3 LEU A 62 0.365 -3.421 -7.719 1.00 0.30 H new ATOM 0 HG LEU A 62 1.091 -0.562 -7.044 1.00 0.54 H new ATOM 0 HD11 LEU A 62 3.418 -1.157 -7.593 1.00 0.55 H new ATOM 0 HD12 LEU A 62 2.837 -2.029 -6.154 1.00 0.55 H new ATOM 0 HD13 LEU A 62 2.946 -2.868 -7.720 1.00 0.55 H new ATOM 0 HD21 LEU A 62 1.849 -0.532 -9.391 1.00 0.91 H new ATOM 0 HD22 LEU A 62 1.322 -2.221 -9.579 1.00 0.91 H new ATOM 0 HD23 LEU A 62 0.123 -0.944 -9.263 1.00 0.91 H new ATOM 987 N ALA A 63 -1.707 -3.293 -4.931 1.00 0.25 N ATOM 988 CA ALA A 63 -2.425 -4.260 -4.102 1.00 0.29 C ATOM 989 C ALA A 63 -3.920 -4.140 -4.336 1.00 0.23 C ATOM 990 O ALA A 63 -4.668 -5.110 -4.219 1.00 0.29 O ATOM 991 CB ALA A 63 -2.109 -4.038 -2.635 1.00 0.41 C ATOM 0 H ALA A 63 -1.011 -2.743 -4.428 1.00 0.25 H new ATOM 0 HA ALA A 63 -2.102 -5.263 -4.380 1.00 0.29 H new ATOM 0 HB1 ALA A 63 -2.651 -4.766 -2.032 1.00 0.41 H new ATOM 0 HB2 ALA A 63 -1.038 -4.157 -2.471 1.00 0.41 H new ATOM 0 HB3 ALA A 63 -2.410 -3.031 -2.346 1.00 0.41 H new ATOM 997 N LEU A 64 -4.337 -2.930 -4.677 1.00 0.19 N ATOM 998 CA LEU A 64 -5.743 -2.644 -4.946 1.00 0.22 C ATOM 999 C LEU A 64 -6.093 -2.952 -6.398 1.00 0.27 C ATOM 1000 O LEU A 64 -7.204 -3.387 -6.703 1.00 0.43 O ATOM 1001 CB LEU A 64 -6.051 -1.177 -4.646 1.00 0.31 C ATOM 1002 CG LEU A 64 -6.344 -0.859 -3.180 1.00 0.27 C ATOM 1003 CD1 LEU A 64 -5.245 0.013 -2.597 1.00 0.57 C ATOM 1004 CD2 LEU A 64 -7.694 -0.176 -3.045 1.00 0.42 C ATOM 0 H LEU A 64 -3.719 -2.124 -4.775 1.00 0.19 H new ATOM 0 HA LEU A 64 -6.346 -3.280 -4.298 1.00 0.22 H new ATOM 0 HB2 LEU A 64 -5.205 -0.571 -4.970 1.00 0.31 H new ATOM 0 HB3 LEU A 64 -6.909 -0.873 -5.245 1.00 0.31 H new ATOM 0 HG LEU A 64 -6.374 -1.795 -2.622 1.00 0.27 H new ATOM 0 HD11 LEU A 64 -5.469 0.230 -1.553 1.00 0.57 H new ATOM 0 HD12 LEU A 64 -4.291 -0.511 -2.662 1.00 0.57 H new ATOM 0 HD13 LEU A 64 -5.185 0.946 -3.157 1.00 0.57 H new ATOM 0 HD21 LEU A 64 -7.887 0.044 -1.995 1.00 0.42 H new ATOM 0 HD22 LEU A 64 -7.690 0.753 -3.615 1.00 0.42 H new ATOM 0 HD23 LEU A 64 -8.474 -0.834 -3.428 1.00 0.42 H new ATOM 1016 N GLN A 65 -5.137 -2.702 -7.288 1.00 0.22 N ATOM 1017 CA GLN A 65 -5.327 -2.928 -8.718 1.00 0.26 C ATOM 1018 C GLN A 65 -5.822 -4.342 -9.013 1.00 0.25 C ATOM 1019 O GLN A 65 -6.818 -4.523 -9.715 1.00 0.29 O ATOM 1020 CB GLN A 65 -4.019 -2.669 -9.466 1.00 0.29 C ATOM 1021 CG GLN A 65 -3.778 -1.200 -9.773 1.00 0.34 C ATOM 1022 CD GLN A 65 -4.373 -0.780 -11.103 1.00 0.49 C ATOM 1023 OE1 GLN A 65 -4.096 -1.384 -12.139 1.00 1.29 O ATOM 1024 NE2 GLN A 65 -5.196 0.262 -11.081 1.00 0.54 N ATOM 0 H GLN A 65 -4.216 -2.340 -7.042 1.00 0.22 H new ATOM 0 HA GLN A 65 -6.092 -2.232 -9.061 1.00 0.26 H new ATOM 0 HB2 GLN A 65 -3.188 -3.049 -8.872 1.00 0.29 H new ATOM 0 HB3 GLN A 65 -4.026 -3.231 -10.400 1.00 0.29 H new ATOM 0 HG2 GLN A 65 -4.207 -0.591 -8.978 1.00 0.34 H new ATOM 0 HG3 GLN A 65 -2.706 -1.005 -9.780 1.00 0.34 H new ATOM 0 HE21 GLN A 65 -5.398 0.734 -10.199 1.00 0.54 H new ATOM 0 HE22 GLN A 65 -5.626 0.591 -11.946 1.00 0.54 H new ATOM 1033 N ASP A 66 -5.127 -5.344 -8.480 1.00 0.25 N ATOM 1034 CA ASP A 66 -5.513 -6.735 -8.702 1.00 0.28 C ATOM 1035 C ASP A 66 -6.619 -7.152 -7.749 1.00 0.26 C ATOM 1036 O ASP A 66 -7.338 -8.115 -8.013 1.00 0.37 O ATOM 1037 CB ASP A 66 -4.310 -7.662 -8.548 1.00 0.35 C ATOM 1038 CG ASP A 66 -3.321 -7.521 -9.688 1.00 0.51 C ATOM 1039 OD1 ASP A 66 -2.628 -6.483 -9.746 1.00 0.84 O ATOM 1040 OD2 ASP A 66 -3.241 -8.445 -10.523 1.00 0.75 O ATOM 0 H ASP A 66 -4.300 -5.221 -7.896 1.00 0.25 H new ATOM 0 HA ASP A 66 -5.888 -6.817 -9.722 1.00 0.28 H new ATOM 0 HB2 ASP A 66 -3.807 -7.446 -7.606 1.00 0.35 H new ATOM 0 HB3 ASP A 66 -4.655 -8.695 -8.496 1.00 0.35 H new ATOM 1045 N SER A 67 -6.765 -6.417 -6.651 1.00 0.24 N ATOM 1046 CA SER A 67 -7.808 -6.723 -5.684 1.00 0.25 C ATOM 1047 C SER A 67 -9.160 -6.673 -6.376 1.00 0.43 C ATOM 1048 O SER A 67 -9.745 -5.601 -6.544 1.00 1.15 O ATOM 1049 CB SER A 67 -7.777 -5.737 -4.516 1.00 0.23 C ATOM 1050 OG SER A 67 -9.086 -5.447 -4.054 1.00 1.26 O ATOM 0 H SER A 67 -6.181 -5.615 -6.412 1.00 0.24 H new ATOM 0 HA SER A 67 -7.636 -7.722 -5.283 1.00 0.25 H new ATOM 0 HB2 SER A 67 -7.185 -6.153 -3.701 1.00 0.23 H new ATOM 0 HB3 SER A 67 -7.286 -4.815 -4.828 1.00 0.23 H new ATOM 0 HG SER A 67 -9.640 -5.151 -4.806 1.00 1.26 H new ATOM 1056 N GLY A 68 -9.630 -7.835 -6.807 1.00 0.54 N ATOM 1057 CA GLY A 68 -10.892 -7.912 -7.511 1.00 0.53 C ATOM 1058 C GLY A 68 -11.998 -7.106 -6.854 1.00 0.52 C ATOM 1059 O GLY A 68 -12.706 -6.354 -7.526 1.00 0.69 O ATOM 0 H GLY A 68 -9.156 -8.729 -6.680 1.00 0.54 H new ATOM 0 HA2 GLY A 68 -10.752 -7.558 -8.532 1.00 0.53 H new ATOM 0 HA3 GLY A 68 -11.201 -8.955 -7.575 1.00 0.53 H new ATOM 1063 N LEU A 69 -12.146 -7.253 -5.541 1.00 0.47 N ATOM 1064 CA LEU A 69 -13.169 -6.525 -4.798 1.00 0.48 C ATOM 1065 C LEU A 69 -12.661 -6.175 -3.404 1.00 0.45 C ATOM 1066 O LEU A 69 -11.831 -5.279 -3.242 1.00 0.55 O ATOM 1067 CB LEU A 69 -14.458 -7.351 -4.695 1.00 0.49 C ATOM 1068 CG LEU A 69 -14.930 -7.993 -6.001 1.00 1.04 C ATOM 1069 CD1 LEU A 69 -14.573 -9.471 -6.029 1.00 1.59 C ATOM 1070 CD2 LEU A 69 -16.430 -7.802 -6.174 1.00 1.85 C ATOM 0 H LEU A 69 -11.570 -7.870 -4.969 1.00 0.47 H new ATOM 0 HA LEU A 69 -13.391 -5.604 -5.337 1.00 0.48 H new ATOM 0 HB2 LEU A 69 -14.307 -8.138 -3.956 1.00 0.49 H new ATOM 0 HB3 LEU A 69 -15.253 -6.708 -4.318 1.00 0.49 H new ATOM 0 HG LEU A 69 -14.421 -7.502 -6.831 1.00 1.04 H new ATOM 0 HD11 LEU A 69 -14.917 -9.911 -6.965 1.00 1.59 H new ATOM 0 HD12 LEU A 69 -13.492 -9.586 -5.949 1.00 1.59 H new ATOM 0 HD13 LEU A 69 -15.054 -9.977 -5.192 1.00 1.59 H new ATOM 0 HD21 LEU A 69 -16.750 -8.264 -7.108 1.00 1.85 H new ATOM 0 HD22 LEU A 69 -16.955 -8.268 -5.340 1.00 1.85 H new ATOM 0 HD23 LEU A 69 -16.661 -6.737 -6.199 1.00 1.85 H new ATOM 1082 N GLU A 70 -13.150 -6.899 -2.405 1.00 0.36 N ATOM 1083 CA GLU A 70 -12.738 -6.681 -1.029 1.00 0.33 C ATOM 1084 C GLU A 70 -11.489 -7.492 -0.730 1.00 0.29 C ATOM 1085 O GLU A 70 -11.449 -8.695 -0.988 1.00 0.32 O ATOM 1086 CB GLU A 70 -13.857 -7.087 -0.076 1.00 0.34 C ATOM 1087 CG GLU A 70 -14.482 -8.425 -0.429 1.00 0.88 C ATOM 1088 CD GLU A 70 -15.512 -8.879 0.588 1.00 0.89 C ATOM 1089 OE1 GLU A 70 -15.423 -8.449 1.757 1.00 1.13 O ATOM 1090 OE2 GLU A 70 -16.409 -9.664 0.213 1.00 1.31 O ATOM 0 H GLU A 70 -13.835 -7.645 -2.526 1.00 0.36 H new ATOM 0 HA GLU A 70 -12.521 -5.622 -0.889 1.00 0.33 H new ATOM 0 HB2 GLU A 70 -13.463 -7.133 0.939 1.00 0.34 H new ATOM 0 HB3 GLU A 70 -14.630 -6.318 -0.083 1.00 0.34 H new ATOM 0 HG2 GLU A 70 -14.953 -8.354 -1.409 1.00 0.88 H new ATOM 0 HG3 GLU A 70 -13.698 -9.178 -0.506 1.00 0.88 H new ATOM 1097 N VAL A 71 -10.470 -6.837 -0.196 1.00 0.26 N ATOM 1098 CA VAL A 71 -9.227 -7.518 0.122 1.00 0.23 C ATOM 1099 C VAL A 71 -8.576 -6.963 1.376 1.00 0.22 C ATOM 1100 O VAL A 71 -8.873 -5.856 1.810 1.00 0.30 O ATOM 1101 CB VAL A 71 -8.212 -7.415 -1.030 1.00 0.27 C ATOM 1102 CG1 VAL A 71 -8.789 -8.004 -2.306 1.00 0.33 C ATOM 1103 CG2 VAL A 71 -7.794 -5.970 -1.240 1.00 0.41 C ATOM 0 H VAL A 71 -10.479 -5.841 0.025 1.00 0.26 H new ATOM 0 HA VAL A 71 -9.496 -8.561 0.286 1.00 0.23 H new ATOM 0 HB VAL A 71 -7.326 -7.991 -0.764 1.00 0.27 H new ATOM 0 HG11 VAL A 71 -8.056 -7.922 -3.109 1.00 0.33 H new ATOM 0 HG12 VAL A 71 -9.033 -9.054 -2.144 1.00 0.33 H new ATOM 0 HG13 VAL A 71 -9.692 -7.460 -2.582 1.00 0.33 H new ATOM 0 HG21 VAL A 71 -7.076 -5.914 -2.058 1.00 0.41 H new ATOM 0 HG22 VAL A 71 -8.670 -5.370 -1.485 1.00 0.41 H new ATOM 0 HG23 VAL A 71 -7.335 -5.588 -0.328 1.00 0.41 H new ATOM 1113 N ASN A 72 -7.658 -7.739 1.929 1.00 0.19 N ATOM 1114 CA ASN A 72 -6.920 -7.338 3.109 1.00 0.19 C ATOM 1115 C ASN A 72 -5.615 -6.702 2.665 1.00 0.17 C ATOM 1116 O ASN A 72 -4.694 -7.403 2.256 1.00 0.19 O ATOM 1117 CB ASN A 72 -6.648 -8.553 3.996 1.00 0.22 C ATOM 1118 CG ASN A 72 -7.869 -8.972 4.792 1.00 0.31 C ATOM 1119 OD1 ASN A 72 -7.817 -9.094 6.016 1.00 0.53 O ATOM 1120 ND2 ASN A 72 -8.978 -9.195 4.095 1.00 0.63 N ATOM 0 H ASN A 72 -7.406 -8.661 1.572 1.00 0.19 H new ATOM 0 HA ASN A 72 -7.501 -6.620 3.688 1.00 0.19 H new ATOM 0 HB2 ASN A 72 -6.319 -9.386 3.375 1.00 0.22 H new ATOM 0 HB3 ASN A 72 -5.832 -8.324 4.681 1.00 0.22 H new ATOM 0 HD21 ASN A 72 -9.833 -9.480 4.574 1.00 0.63 H new ATOM 0 HD22 ASN A 72 -8.975 -9.081 3.081 1.00 0.63 H new ATOM 1127 N ILE A 73 -5.547 -5.376 2.709 1.00 0.15 N ATOM 1128 CA ILE A 73 -4.355 -4.675 2.264 1.00 0.15 C ATOM 1129 C ILE A 73 -3.424 -4.326 3.421 1.00 0.16 C ATOM 1130 O ILE A 73 -3.624 -3.365 4.168 1.00 0.17 O ATOM 1131 CB ILE A 73 -4.708 -3.407 1.469 1.00 0.14 C ATOM 1132 CG1 ILE A 73 -5.317 -3.825 0.126 1.00 0.23 C ATOM 1133 CG2 ILE A 73 -3.473 -2.531 1.278 1.00 0.14 C ATOM 1134 CD1 ILE A 73 -4.966 -2.920 -1.034 1.00 1.11 C ATOM 0 H ILE A 73 -6.297 -4.772 3.045 1.00 0.15 H new ATOM 0 HA ILE A 73 -3.825 -5.362 1.604 1.00 0.15 H new ATOM 0 HB ILE A 73 -5.437 -2.812 2.019 1.00 0.14 H new ATOM 0 HG12 ILE A 73 -4.988 -4.837 -0.108 1.00 0.23 H new ATOM 0 HG13 ILE A 73 -6.402 -3.858 0.229 1.00 0.23 H new ATOM 0 HG21 ILE A 73 -3.744 -1.639 0.713 1.00 0.14 H new ATOM 0 HG22 ILE A 73 -3.080 -2.239 2.252 1.00 0.14 H new ATOM 0 HG23 ILE A 73 -2.712 -3.089 0.732 1.00 0.14 H new ATOM 0 HD11 ILE A 73 -5.440 -3.292 -1.942 1.00 1.11 H new ATOM 0 HD12 ILE A 73 -5.320 -1.910 -0.828 1.00 1.11 H new ATOM 0 HD13 ILE A 73 -3.885 -2.905 -1.169 1.00 1.11 H new ATOM 1146 N VAL A 74 -2.389 -5.125 3.527 1.00 0.19 N ATOM 1147 CA VAL A 74 -1.374 -4.947 4.556 1.00 0.24 C ATOM 1148 C VAL A 74 -0.187 -4.184 3.987 1.00 0.20 C ATOM 1149 O VAL A 74 0.519 -4.686 3.112 1.00 0.22 O ATOM 1150 CB VAL A 74 -0.884 -6.295 5.123 1.00 0.33 C ATOM 1151 CG1 VAL A 74 -0.525 -6.157 6.593 1.00 1.25 C ATOM 1152 CG2 VAL A 74 -1.938 -7.375 4.926 1.00 1.44 C ATOM 0 H VAL A 74 -2.220 -5.917 2.907 1.00 0.19 H new ATOM 0 HA VAL A 74 -1.831 -4.383 5.369 1.00 0.24 H new ATOM 0 HB VAL A 74 0.013 -6.591 4.578 1.00 0.33 H new ATOM 0 HG11 VAL A 74 -0.181 -7.118 6.975 1.00 1.25 H new ATOM 0 HG12 VAL A 74 0.268 -5.417 6.706 1.00 1.25 H new ATOM 0 HG13 VAL A 74 -1.403 -5.836 7.153 1.00 1.25 H new ATOM 0 HG21 VAL A 74 -1.573 -8.318 5.333 1.00 1.44 H new ATOM 0 HG22 VAL A 74 -2.854 -7.088 5.442 1.00 1.44 H new ATOM 0 HG23 VAL A 74 -2.143 -7.494 3.862 1.00 1.44 H new ATOM 1162 N THR A 75 0.021 -2.962 4.466 1.00 0.20 N ATOM 1163 CA THR A 75 1.120 -2.141 3.967 1.00 0.19 C ATOM 1164 C THR A 75 1.796 -1.363 5.075 1.00 0.22 C ATOM 1165 O THR A 75 1.127 -0.758 5.911 1.00 0.30 O ATOM 1166 CB THR A 75 0.635 -1.132 2.915 1.00 0.19 C ATOM 1167 OG1 THR A 75 -0.508 -1.648 2.227 1.00 0.24 O ATOM 1168 CG2 THR A 75 1.746 -0.824 1.923 1.00 0.35 C ATOM 0 H THR A 75 -0.548 -2.522 5.189 1.00 0.20 H new ATOM 0 HA THR A 75 1.831 -2.837 3.522 1.00 0.19 H new ATOM 0 HB THR A 75 0.355 -0.209 3.423 1.00 0.19 H new ATOM 0 HG1 THR A 75 -1.269 -1.045 2.360 1.00 0.24 H new ATOM 0 HG21 THR A 75 1.386 -0.108 1.184 1.00 0.35 H new ATOM 0 HG22 THR A 75 2.600 -0.401 2.453 1.00 0.35 H new ATOM 0 HG23 THR A 75 2.050 -1.742 1.420 1.00 0.35 H new ATOM 1176 N ASP A 76 3.125 -1.350 5.064 1.00 0.19 N ATOM 1177 CA ASP A 76 3.859 -0.606 6.068 1.00 0.22 C ATOM 1178 C ASP A 76 3.941 0.851 5.662 1.00 0.22 C ATOM 1179 O ASP A 76 4.775 1.232 4.849 1.00 0.24 O ATOM 1180 CB ASP A 76 5.265 -1.183 6.236 1.00 0.26 C ATOM 1181 CG ASP A 76 5.381 -2.591 5.687 1.00 0.32 C ATOM 1182 OD1 ASP A 76 5.549 -2.737 4.460 1.00 0.80 O ATOM 1183 OD2 ASP A 76 5.305 -3.548 6.486 1.00 0.46 O ATOM 0 H ASP A 76 3.703 -1.839 4.381 1.00 0.19 H new ATOM 0 HA ASP A 76 3.336 -0.686 7.021 1.00 0.22 H new ATOM 0 HB2 ASP A 76 5.983 -0.538 5.729 1.00 0.26 H new ATOM 0 HB3 ASP A 76 5.530 -1.185 7.293 1.00 0.26 H new ATOM 1188 N SER A 77 3.071 1.662 6.242 1.00 0.27 N ATOM 1189 CA SER A 77 3.041 3.083 5.945 1.00 0.32 C ATOM 1190 C SER A 77 2.252 3.838 7.000 1.00 0.35 C ATOM 1191 O SER A 77 1.023 3.878 6.945 1.00 0.44 O ATOM 1192 CB SER A 77 2.429 3.324 4.563 1.00 0.40 C ATOM 1193 OG SER A 77 1.795 2.155 4.075 1.00 1.28 O ATOM 0 H SER A 77 2.375 1.358 6.923 1.00 0.27 H new ATOM 0 HA SER A 77 4.066 3.453 5.949 1.00 0.32 H new ATOM 0 HB2 SER A 77 1.706 4.137 4.619 1.00 0.40 H new ATOM 0 HB3 SER A 77 3.207 3.637 3.867 1.00 0.40 H new ATOM 0 HG SER A 77 1.411 2.336 3.192 1.00 1.28 H new ATOM 1199 N GLN A 78 2.945 4.447 7.952 1.00 0.31 N ATOM 1200 CA GLN A 78 2.266 5.205 8.991 1.00 0.34 C ATOM 1201 C GLN A 78 1.507 6.370 8.364 1.00 0.27 C ATOM 1202 O GLN A 78 0.646 6.986 8.996 1.00 0.26 O ATOM 1203 CB GLN A 78 3.265 5.705 10.034 1.00 0.47 C ATOM 1204 CG GLN A 78 3.556 4.686 11.125 1.00 1.04 C ATOM 1205 CD GLN A 78 5.038 4.403 11.278 1.00 1.57 C ATOM 1206 OE1 GLN A 78 5.582 4.462 12.382 1.00 1.97 O ATOM 1207 NE2 GLN A 78 5.700 4.094 10.170 1.00 1.88 N ATOM 0 H GLN A 78 3.962 4.432 8.026 1.00 0.31 H new ATOM 0 HA GLN A 78 1.554 4.554 9.498 1.00 0.34 H new ATOM 0 HB2 GLN A 78 4.198 5.970 9.536 1.00 0.47 H new ATOM 0 HB3 GLN A 78 2.878 6.616 10.491 1.00 0.47 H new ATOM 0 HG2 GLN A 78 3.160 5.051 12.073 1.00 1.04 H new ATOM 0 HG3 GLN A 78 3.034 3.757 10.898 1.00 1.04 H new ATOM 0 HE21 GLN A 78 5.209 4.057 9.276 1.00 1.88 H new ATOM 0 HE22 GLN A 78 6.699 3.894 10.212 1.00 1.88 H new ATOM 1216 N TYR A 79 1.816 6.642 7.095 1.00 0.27 N ATOM 1217 CA TYR A 79 1.153 7.702 6.350 1.00 0.28 C ATOM 1218 C TYR A 79 -0.151 7.175 5.806 1.00 0.23 C ATOM 1219 O TYR A 79 -1.202 7.768 6.017 1.00 0.23 O ATOM 1220 CB TYR A 79 2.025 8.225 5.207 1.00 0.37 C ATOM 1221 CG TYR A 79 2.080 9.735 5.138 1.00 0.59 C ATOM 1222 CD1 TYR A 79 2.949 10.456 5.947 1.00 0.85 C ATOM 1223 CD2 TYR A 79 1.264 10.441 4.262 1.00 0.86 C ATOM 1224 CE1 TYR A 79 3.004 11.836 5.885 1.00 1.07 C ATOM 1225 CE2 TYR A 79 1.313 11.821 4.194 1.00 1.07 C ATOM 1226 CZ TYR A 79 2.179 12.514 5.014 1.00 1.08 C ATOM 1227 OH TYR A 79 2.235 13.886 4.943 1.00 1.33 O ATOM 0 H TYR A 79 2.526 6.137 6.564 1.00 0.27 H new ATOM 0 HA TYR A 79 0.971 8.537 7.026 1.00 0.28 H new ATOM 0 HB2 TYR A 79 3.037 7.837 5.324 1.00 0.37 H new ATOM 0 HB3 TYR A 79 1.643 7.839 4.262 1.00 0.37 H new ATOM 0 HD1 TYR A 79 3.593 9.930 6.636 1.00 0.85 H new ATOM 0 HD2 TYR A 79 0.580 9.902 3.623 1.00 0.86 H new ATOM 0 HE1 TYR A 79 3.691 12.380 6.516 1.00 1.07 H new ATOM 0 HE2 TYR A 79 0.677 12.353 3.503 1.00 1.07 H new ATOM 0 HH TYR A 79 1.589 14.206 4.279 1.00 1.33 H new ATOM 1237 N ALA A 80 -0.087 6.025 5.135 1.00 0.22 N ATOM 1238 CA ALA A 80 -1.293 5.411 4.613 1.00 0.27 C ATOM 1239 C ALA A 80 -2.253 5.213 5.769 1.00 0.24 C ATOM 1240 O ALA A 80 -3.464 5.374 5.641 1.00 0.34 O ATOM 1241 CB ALA A 80 -0.976 4.086 3.938 1.00 0.34 C ATOM 0 H ALA A 80 0.774 5.512 4.946 1.00 0.22 H new ATOM 0 HA ALA A 80 -1.745 6.055 3.858 1.00 0.27 H new ATOM 0 HB1 ALA A 80 -1.896 3.644 3.554 1.00 0.34 H new ATOM 0 HB2 ALA A 80 -0.283 4.254 3.114 1.00 0.34 H new ATOM 0 HB3 ALA A 80 -0.522 3.409 4.661 1.00 0.34 H new ATOM 1247 N LEU A 81 -1.675 4.887 6.915 1.00 0.17 N ATOM 1248 CA LEU A 81 -2.435 4.684 8.133 1.00 0.21 C ATOM 1249 C LEU A 81 -3.267 5.914 8.463 1.00 0.18 C ATOM 1250 O LEU A 81 -4.437 5.808 8.826 1.00 0.24 O ATOM 1251 CB LEU A 81 -1.489 4.373 9.295 1.00 0.26 C ATOM 1252 CG LEU A 81 -1.840 3.126 10.107 1.00 0.85 C ATOM 1253 CD1 LEU A 81 -3.248 3.232 10.675 1.00 1.60 C ATOM 1254 CD2 LEU A 81 -1.698 1.880 9.247 1.00 1.83 C ATOM 0 H LEU A 81 -0.669 4.757 7.024 1.00 0.17 H new ATOM 0 HA LEU A 81 -3.108 3.841 7.979 1.00 0.21 H new ATOM 0 HB2 LEU A 81 -0.480 4.257 8.899 1.00 0.26 H new ATOM 0 HB3 LEU A 81 -1.471 5.231 9.967 1.00 0.26 H new ATOM 0 HG LEU A 81 -1.144 3.050 10.943 1.00 0.85 H new ATOM 0 HD11 LEU A 81 -3.477 2.334 11.249 1.00 1.60 H new ATOM 0 HD12 LEU A 81 -3.314 4.105 11.325 1.00 1.60 H new ATOM 0 HD13 LEU A 81 -3.963 3.333 9.859 1.00 1.60 H new ATOM 0 HD21 LEU A 81 -1.951 0.999 9.838 1.00 1.83 H new ATOM 0 HD22 LEU A 81 -2.371 1.949 8.392 1.00 1.83 H new ATOM 0 HD23 LEU A 81 -0.670 1.797 8.894 1.00 1.83 H new ATOM 1266 N GLY A 82 -2.647 7.083 8.350 1.00 0.13 N ATOM 1267 CA GLY A 82 -3.341 8.320 8.651 1.00 0.16 C ATOM 1268 C GLY A 82 -4.205 8.828 7.509 1.00 0.17 C ATOM 1269 O GLY A 82 -5.369 9.172 7.714 1.00 0.20 O ATOM 0 H GLY A 82 -1.677 7.196 8.056 1.00 0.13 H new ATOM 0 HA2 GLY A 82 -3.968 8.170 9.530 1.00 0.16 H new ATOM 0 HA3 GLY A 82 -2.608 9.084 8.908 1.00 0.16 H new ATOM 1273 N ILE A 83 -3.629 8.910 6.311 1.00 0.17 N ATOM 1274 CA ILE A 83 -4.350 9.419 5.150 1.00 0.19 C ATOM 1275 C ILE A 83 -5.204 8.347 4.463 1.00 0.20 C ATOM 1276 O ILE A 83 -6.420 8.496 4.362 1.00 0.22 O ATOM 1277 CB ILE A 83 -3.373 10.018 4.113 1.00 0.24 C ATOM 1278 CG1 ILE A 83 -2.067 10.479 4.782 1.00 0.33 C ATOM 1279 CG2 ILE A 83 -4.030 11.179 3.381 1.00 0.44 C ATOM 1280 CD1 ILE A 83 -2.260 11.559 5.825 1.00 1.30 C ATOM 0 H ILE A 83 -2.667 8.631 6.121 1.00 0.17 H new ATOM 0 HA ILE A 83 -5.017 10.193 5.528 1.00 0.19 H new ATOM 0 HB ILE A 83 -3.125 9.239 3.392 1.00 0.24 H new ATOM 0 HG12 ILE A 83 -1.586 9.619 5.248 1.00 0.33 H new ATOM 0 HG13 ILE A 83 -1.387 10.847 4.014 1.00 0.33 H new ATOM 0 HG21 ILE A 83 -3.332 11.592 2.653 1.00 0.44 H new ATOM 0 HG22 ILE A 83 -4.924 10.826 2.866 1.00 0.44 H new ATOM 0 HG23 ILE A 83 -4.306 11.952 4.098 1.00 0.44 H new ATOM 0 HD11 ILE A 83 -1.294 11.830 6.251 1.00 1.30 H new ATOM 0 HD12 ILE A 83 -2.712 12.436 5.361 1.00 1.30 H new ATOM 0 HD13 ILE A 83 -2.914 11.189 6.615 1.00 1.30 H new ATOM 1292 N ILE A 84 -4.563 7.282 3.976 1.00 0.19 N ATOM 1293 CA ILE A 84 -5.271 6.204 3.275 1.00 0.21 C ATOM 1294 C ILE A 84 -6.460 5.672 4.074 1.00 0.26 C ATOM 1295 O ILE A 84 -7.465 5.262 3.493 1.00 0.35 O ATOM 1296 CB ILE A 84 -4.322 5.046 2.875 1.00 0.23 C ATOM 1297 CG1 ILE A 84 -4.373 4.831 1.353 1.00 0.26 C ATOM 1298 CG2 ILE A 84 -4.670 3.757 3.614 1.00 0.40 C ATOM 1299 CD1 ILE A 84 -5.635 4.142 0.874 1.00 0.58 C ATOM 0 H ILE A 84 -3.556 7.141 4.053 1.00 0.19 H new ATOM 0 HA ILE A 84 -5.661 6.649 2.360 1.00 0.21 H new ATOM 0 HB ILE A 84 -3.307 5.322 3.162 1.00 0.23 H new ATOM 0 HG12 ILE A 84 -4.287 5.797 0.856 1.00 0.26 H new ATOM 0 HG13 ILE A 84 -3.510 4.239 1.050 1.00 0.26 H new ATOM 0 HG21 ILE A 84 -3.984 2.966 3.309 1.00 0.40 H new ATOM 0 HG22 ILE A 84 -4.583 3.919 4.688 1.00 0.40 H new ATOM 0 HG23 ILE A 84 -5.692 3.464 3.373 1.00 0.40 H new ATOM 0 HD11 ILE A 84 -5.597 4.026 -0.209 1.00 0.58 H new ATOM 0 HD12 ILE A 84 -5.714 3.161 1.342 1.00 0.58 H new ATOM 0 HD13 ILE A 84 -6.503 4.743 1.144 1.00 0.58 H new ATOM 1311 N GLN A 85 -6.357 5.689 5.398 1.00 0.27 N ATOM 1312 CA GLN A 85 -7.452 5.215 6.239 1.00 0.31 C ATOM 1313 C GLN A 85 -8.633 6.169 6.143 1.00 0.32 C ATOM 1314 O GLN A 85 -9.791 5.752 6.166 1.00 0.40 O ATOM 1315 CB GLN A 85 -7.008 5.094 7.695 1.00 0.33 C ATOM 1316 CG GLN A 85 -8.021 4.382 8.579 1.00 0.49 C ATOM 1317 CD GLN A 85 -7.641 4.413 10.046 1.00 0.60 C ATOM 1318 OE1 GLN A 85 -6.799 5.209 10.466 1.00 1.11 O ATOM 1319 NE2 GLN A 85 -8.261 3.546 10.837 1.00 0.86 N ATOM 0 H GLN A 85 -5.538 6.021 5.908 1.00 0.27 H new ATOM 0 HA GLN A 85 -7.751 4.229 5.884 1.00 0.31 H new ATOM 0 HB2 GLN A 85 -6.061 4.556 7.735 1.00 0.33 H new ATOM 0 HB3 GLN A 85 -6.825 6.091 8.095 1.00 0.33 H new ATOM 0 HG2 GLN A 85 -8.999 4.847 8.451 1.00 0.49 H new ATOM 0 HG3 GLN A 85 -8.116 3.346 8.254 1.00 0.49 H new ATOM 0 HE21 GLN A 85 -8.952 2.904 10.448 1.00 0.86 H new ATOM 0 HE22 GLN A 85 -8.047 3.521 11.834 1.00 0.86 H new ATOM 1328 N ALA A 86 -8.322 7.454 6.038 1.00 0.30 N ATOM 1329 CA ALA A 86 -9.345 8.487 5.939 1.00 0.33 C ATOM 1330 C ALA A 86 -9.624 8.861 4.491 1.00 0.33 C ATOM 1331 O ALA A 86 -9.255 9.951 4.056 1.00 0.52 O ATOM 1332 CB ALA A 86 -8.930 9.716 6.733 1.00 0.38 C ATOM 0 H ALA A 86 -7.365 7.807 6.019 1.00 0.30 H new ATOM 0 HA ALA A 86 -10.267 8.085 6.360 1.00 0.33 H new ATOM 0 HB1 ALA A 86 -9.703 10.480 6.651 1.00 0.38 H new ATOM 0 HB2 ALA A 86 -8.798 9.445 7.780 1.00 0.38 H new ATOM 0 HB3 ALA A 86 -7.992 10.105 6.338 1.00 0.38 H new ATOM 1338 N GLN A 87 -10.285 7.944 3.764 1.00 0.31 N ATOM 1339 CA GLN A 87 -10.639 8.149 2.352 1.00 0.31 C ATOM 1340 C GLN A 87 -9.905 9.349 1.775 1.00 0.31 C ATOM 1341 O GLN A 87 -10.506 10.395 1.527 1.00 0.35 O ATOM 1342 CB GLN A 87 -12.153 8.332 2.198 1.00 0.37 C ATOM 1343 CG GLN A 87 -12.767 9.278 3.217 1.00 0.71 C ATOM 1344 CD GLN A 87 -13.101 8.589 4.527 1.00 0.99 C ATOM 1345 OE1 GLN A 87 -14.056 7.818 4.610 1.00 1.63 O ATOM 1346 NE2 GLN A 87 -12.315 8.869 5.560 1.00 1.08 N ATOM 0 H GLN A 87 -10.587 7.044 4.138 1.00 0.31 H new ATOM 0 HA GLN A 87 -10.334 7.261 1.798 1.00 0.31 H new ATOM 0 HB2 GLN A 87 -12.364 8.707 1.196 1.00 0.37 H new ATOM 0 HB3 GLN A 87 -12.637 7.359 2.283 1.00 0.37 H new ATOM 0 HG2 GLN A 87 -12.075 10.098 3.408 1.00 0.71 H new ATOM 0 HG3 GLN A 87 -13.674 9.716 2.800 1.00 0.71 H new ATOM 0 HE21 GLN A 87 -11.534 9.515 5.446 1.00 1.08 H new ATOM 0 HE22 GLN A 87 -12.493 8.438 6.467 1.00 1.08 H new ATOM 1355 N PRO A 88 -8.584 9.223 1.574 1.00 0.29 N ATOM 1356 CA PRO A 88 -7.770 10.311 1.051 1.00 0.31 C ATOM 1357 C PRO A 88 -7.925 10.481 -0.457 1.00 0.42 C ATOM 1358 O PRO A 88 -6.980 10.862 -1.144 1.00 0.99 O ATOM 1359 CB PRO A 88 -6.357 9.868 1.382 1.00 0.37 C ATOM 1360 CG PRO A 88 -6.425 8.395 1.279 1.00 0.31 C ATOM 1361 CD PRO A 88 -7.768 8.023 1.851 1.00 0.27 C ATOM 0 HA PRO A 88 -8.051 11.274 1.478 1.00 0.31 H new ATOM 0 HB2 PRO A 88 -5.631 10.286 0.684 1.00 0.37 H new ATOM 0 HB3 PRO A 88 -6.060 10.187 2.381 1.00 0.37 H new ATOM 0 HG2 PRO A 88 -6.333 8.068 0.243 1.00 0.31 H new ATOM 0 HG3 PRO A 88 -5.615 7.923 1.835 1.00 0.31 H new ATOM 0 HD2 PRO A 88 -8.180 7.134 1.372 1.00 0.27 H new ATOM 0 HD3 PRO A 88 -7.709 7.812 2.919 1.00 0.27 H new ATOM 1369 N ASP A 89 -9.119 10.182 -0.966 1.00 0.52 N ATOM 1370 CA ASP A 89 -9.396 10.293 -2.397 1.00 0.49 C ATOM 1371 C ASP A 89 -9.040 11.676 -2.919 1.00 0.46 C ATOM 1372 O ASP A 89 -8.974 11.896 -4.129 1.00 0.46 O ATOM 1373 CB ASP A 89 -10.873 10.014 -2.673 1.00 0.51 C ATOM 1374 CG ASP A 89 -11.121 9.559 -4.098 1.00 1.49 C ATOM 1375 OD1 ASP A 89 -10.206 8.955 -4.696 1.00 2.17 O ATOM 1376 OD2 ASP A 89 -12.230 9.808 -4.616 1.00 1.87 O ATOM 0 H ASP A 89 -9.910 9.861 -0.408 1.00 0.52 H new ATOM 0 HA ASP A 89 -8.781 9.555 -2.913 1.00 0.49 H new ATOM 0 HB2 ASP A 89 -11.230 9.249 -1.983 1.00 0.51 H new ATOM 0 HB3 ASP A 89 -11.453 10.916 -2.477 1.00 0.51 H new ATOM 1381 N GLN A 90 -8.829 12.608 -2.000 1.00 0.47 N ATOM 1382 CA GLN A 90 -8.501 13.976 -2.364 1.00 0.48 C ATOM 1383 C GLN A 90 -7.855 14.714 -1.194 1.00 0.47 C ATOM 1384 O GLN A 90 -7.834 15.944 -1.160 1.00 0.54 O ATOM 1385 CB GLN A 90 -9.770 14.706 -2.815 1.00 0.51 C ATOM 1386 CG GLN A 90 -11.061 14.071 -2.304 1.00 0.68 C ATOM 1387 CD GLN A 90 -11.044 13.813 -0.807 1.00 0.76 C ATOM 1388 OE1 GLN A 90 -10.951 14.745 -0.009 1.00 1.67 O ATOM 1389 NE2 GLN A 90 -11.133 12.541 -0.416 1.00 0.58 N ATOM 0 H GLN A 90 -8.880 12.439 -0.995 1.00 0.47 H new ATOM 0 HA GLN A 90 -7.784 13.955 -3.185 1.00 0.48 H new ATOM 0 HB2 GLN A 90 -9.724 15.740 -2.473 1.00 0.51 H new ATOM 0 HB3 GLN A 90 -9.795 14.732 -3.904 1.00 0.51 H new ATOM 0 HG2 GLN A 90 -11.900 14.723 -2.545 1.00 0.68 H new ATOM 0 HG3 GLN A 90 -11.228 13.130 -2.827 1.00 0.68 H new ATOM 0 HE21 GLN A 90 -11.209 11.798 -1.111 1.00 0.58 H new ATOM 0 HE22 GLN A 90 -11.125 12.311 0.578 1.00 0.58 H new ATOM 1398 N SER A 91 -7.339 13.955 -0.230 1.00 0.41 N ATOM 1399 CA SER A 91 -6.707 14.543 0.946 1.00 0.42 C ATOM 1400 C SER A 91 -5.215 14.215 1.026 1.00 0.37 C ATOM 1401 O SER A 91 -4.798 13.082 0.782 1.00 0.33 O ATOM 1402 CB SER A 91 -7.409 14.059 2.216 1.00 0.45 C ATOM 1403 OG SER A 91 -7.854 15.152 3.001 1.00 1.34 O ATOM 0 H SER A 91 -7.346 12.935 -0.241 1.00 0.41 H new ATOM 0 HA SER A 91 -6.803 15.625 0.857 1.00 0.42 H new ATOM 0 HB2 SER A 91 -8.258 13.430 1.949 1.00 0.45 H new ATOM 0 HB3 SER A 91 -6.726 13.442 2.800 1.00 0.45 H new ATOM 0 HG SER A 91 -8.301 14.816 3.806 1.00 1.34 H new ATOM 1409 N GLU A 92 -4.427 15.221 1.402 1.00 0.43 N ATOM 1410 CA GLU A 92 -2.980 15.078 1.564 1.00 0.41 C ATOM 1411 C GLU A 92 -2.308 14.398 0.363 1.00 0.37 C ATOM 1412 O GLU A 92 -2.419 14.872 -0.768 1.00 0.41 O ATOM 1413 CB GLU A 92 -2.675 14.309 2.854 1.00 0.38 C ATOM 1414 CG GLU A 92 -1.541 14.901 3.684 1.00 0.43 C ATOM 1415 CD GLU A 92 -0.752 15.970 2.947 1.00 0.98 C ATOM 1416 OE1 GLU A 92 0.237 15.617 2.272 1.00 1.49 O ATOM 1417 OE2 GLU A 92 -1.125 17.157 3.049 1.00 1.38 O ATOM 0 H GLU A 92 -4.773 16.159 1.603 1.00 0.43 H new ATOM 0 HA GLU A 92 -2.562 16.083 1.625 1.00 0.41 H new ATOM 0 HB2 GLU A 92 -3.577 14.275 3.465 1.00 0.38 H new ATOM 0 HB3 GLU A 92 -2.424 13.280 2.599 1.00 0.38 H new ATOM 0 HG2 GLU A 92 -1.954 15.329 4.598 1.00 0.43 H new ATOM 0 HG3 GLU A 92 -0.864 14.101 3.984 1.00 0.43 H new ATOM 1424 N SER A 93 -1.588 13.303 0.633 1.00 0.31 N ATOM 1425 CA SER A 93 -0.860 12.554 -0.391 1.00 0.29 C ATOM 1426 C SER A 93 -1.625 12.461 -1.710 1.00 0.26 C ATOM 1427 O SER A 93 -2.851 12.355 -1.730 1.00 0.26 O ATOM 1428 CB SER A 93 -0.543 11.149 0.127 1.00 0.28 C ATOM 1429 OG SER A 93 0.854 10.915 0.144 1.00 1.05 O ATOM 0 H SER A 93 -1.495 12.913 1.571 1.00 0.31 H new ATOM 0 HA SER A 93 0.062 13.098 -0.595 1.00 0.29 H new ATOM 0 HB2 SER A 93 -0.947 11.029 1.132 1.00 0.28 H new ATOM 0 HB3 SER A 93 -1.032 10.407 -0.504 1.00 0.28 H new ATOM 0 HG SER A 93 1.030 10.012 0.480 1.00 1.05 H new ATOM 1435 N GLU A 94 -0.879 12.501 -2.814 1.00 0.27 N ATOM 1436 CA GLU A 94 -1.464 12.416 -4.149 1.00 0.25 C ATOM 1437 C GLU A 94 -1.699 10.960 -4.547 1.00 0.22 C ATOM 1438 O GLU A 94 -2.642 10.644 -5.274 1.00 0.21 O ATOM 1439 CB GLU A 94 -0.555 13.095 -5.176 1.00 0.29 C ATOM 1440 CG GLU A 94 0.265 14.242 -4.604 1.00 1.17 C ATOM 1441 CD GLU A 94 -0.494 15.555 -4.592 1.00 2.09 C ATOM 1442 OE1 GLU A 94 -1.729 15.531 -4.777 1.00 3.06 O ATOM 1443 OE2 GLU A 94 0.148 16.610 -4.398 1.00 2.12 O ATOM 0 H GLU A 94 0.137 12.592 -2.808 1.00 0.27 H new ATOM 0 HA GLU A 94 -2.424 12.931 -4.129 1.00 0.25 H new ATOM 0 HB2 GLU A 94 0.121 12.351 -5.597 1.00 0.29 H new ATOM 0 HB3 GLU A 94 -1.166 13.471 -5.997 1.00 0.29 H new ATOM 0 HG2 GLU A 94 0.570 13.994 -3.587 1.00 1.17 H new ATOM 0 HG3 GLU A 94 1.176 14.359 -5.190 1.00 1.17 H new ATOM 1450 N LEU A 95 -0.835 10.074 -4.064 1.00 0.26 N ATOM 1451 CA LEU A 95 -0.950 8.653 -4.366 1.00 0.28 C ATOM 1452 C LEU A 95 -2.242 8.095 -3.809 1.00 0.25 C ATOM 1453 O LEU A 95 -3.036 7.485 -4.526 1.00 0.28 O ATOM 1454 CB LEU A 95 0.208 7.878 -3.748 1.00 0.34 C ATOM 1455 CG LEU A 95 0.643 6.600 -4.486 1.00 0.76 C ATOM 1456 CD1 LEU A 95 -0.419 6.112 -5.470 1.00 1.74 C ATOM 1457 CD2 LEU A 95 1.965 6.831 -5.202 1.00 1.01 C ATOM 0 H LEU A 95 -0.048 10.315 -3.462 1.00 0.26 H new ATOM 0 HA LEU A 95 -0.933 8.545 -5.450 1.00 0.28 H new ATOM 0 HB2 LEU A 95 1.068 8.544 -3.681 1.00 0.34 H new ATOM 0 HB3 LEU A 95 -0.066 7.608 -2.728 1.00 0.34 H new ATOM 0 HG LEU A 95 0.771 5.818 -3.737 1.00 0.76 H new ATOM 0 HD11 LEU A 95 -0.067 5.208 -5.967 1.00 1.74 H new ATOM 0 HD12 LEU A 95 -1.341 5.894 -4.932 1.00 1.74 H new ATOM 0 HD13 LEU A 95 -0.608 6.885 -6.215 1.00 1.74 H new ATOM 0 HD21 LEU A 95 2.262 5.919 -5.720 1.00 1.01 H new ATOM 0 HD22 LEU A 95 1.851 7.639 -5.925 1.00 1.01 H new ATOM 0 HD23 LEU A 95 2.731 7.101 -4.474 1.00 1.01 H new ATOM 1469 N VAL A 96 -2.435 8.308 -2.516 1.00 0.23 N ATOM 1470 CA VAL A 96 -3.618 7.833 -1.826 1.00 0.23 C ATOM 1471 C VAL A 96 -4.876 8.267 -2.567 1.00 0.25 C ATOM 1472 O VAL A 96 -5.937 7.660 -2.423 1.00 0.30 O ATOM 1473 CB VAL A 96 -3.661 8.366 -0.386 1.00 0.23 C ATOM 1474 CG1 VAL A 96 -2.513 7.795 0.429 1.00 0.33 C ATOM 1475 CG2 VAL A 96 -3.619 9.884 -0.381 1.00 0.31 C ATOM 0 H VAL A 96 -1.778 8.813 -1.921 1.00 0.23 H new ATOM 0 HA VAL A 96 -3.575 6.744 -1.798 1.00 0.23 H new ATOM 0 HB VAL A 96 -4.597 8.047 0.073 1.00 0.23 H new ATOM 0 HG11 VAL A 96 -2.560 8.184 1.446 1.00 0.33 H new ATOM 0 HG12 VAL A 96 -2.589 6.708 0.452 1.00 0.33 H new ATOM 0 HG13 VAL A 96 -1.565 8.083 -0.026 1.00 0.33 H new ATOM 0 HG21 VAL A 96 -3.650 10.245 0.647 1.00 0.31 H new ATOM 0 HG22 VAL A 96 -2.700 10.224 -0.857 1.00 0.31 H new ATOM 0 HG23 VAL A 96 -4.477 10.274 -0.929 1.00 0.31 H new ATOM 1485 N ASN A 97 -4.738 9.313 -3.376 1.00 0.23 N ATOM 1486 CA ASN A 97 -5.853 9.822 -4.163 1.00 0.25 C ATOM 1487 C ASN A 97 -6.217 8.816 -5.247 1.00 0.25 C ATOM 1488 O ASN A 97 -7.366 8.388 -5.359 1.00 0.30 O ATOM 1489 CB ASN A 97 -5.487 11.160 -4.812 1.00 0.27 C ATOM 1490 CG ASN A 97 -6.050 12.354 -4.071 1.00 0.46 C ATOM 1491 OD1 ASN A 97 -6.725 13.199 -4.660 1.00 0.85 O ATOM 1492 ND2 ASN A 97 -5.767 12.438 -2.778 1.00 0.44 N ATOM 0 H ASN A 97 -3.864 9.824 -3.503 1.00 0.23 H new ATOM 0 HA ASN A 97 -6.705 9.974 -3.500 1.00 0.25 H new ATOM 0 HB2 ASN A 97 -4.402 11.249 -4.860 1.00 0.27 H new ATOM 0 HB3 ASN A 97 -5.854 11.171 -5.838 1.00 0.27 H new ATOM 0 HD21 ASN A 97 -6.113 13.226 -2.230 1.00 0.44 H new ATOM 0 HD22 ASN A 97 -5.204 11.714 -2.331 1.00 0.44 H new ATOM 1499 N GLN A 98 -5.215 8.436 -6.035 1.00 0.25 N ATOM 1500 CA GLN A 98 -5.400 7.468 -7.109 1.00 0.27 C ATOM 1501 C GLN A 98 -5.791 6.110 -6.533 1.00 0.28 C ATOM 1502 O GLN A 98 -6.531 5.342 -7.152 1.00 0.32 O ATOM 1503 CB GLN A 98 -4.107 7.341 -7.925 1.00 0.31 C ATOM 1504 CG GLN A 98 -4.041 6.091 -8.789 1.00 0.62 C ATOM 1505 CD GLN A 98 -3.271 6.313 -10.076 1.00 1.03 C ATOM 1506 OE1 GLN A 98 -2.192 6.907 -10.074 1.00 1.85 O ATOM 1507 NE2 GLN A 98 -3.823 5.837 -11.187 1.00 1.52 N ATOM 0 H GLN A 98 -4.261 8.787 -5.948 1.00 0.25 H new ATOM 0 HA GLN A 98 -6.201 7.814 -7.763 1.00 0.27 H new ATOM 0 HB2 GLN A 98 -4.005 8.218 -8.564 1.00 0.31 H new ATOM 0 HB3 GLN A 98 -3.257 7.344 -7.243 1.00 0.31 H new ATOM 0 HG2 GLN A 98 -3.571 5.287 -8.223 1.00 0.62 H new ATOM 0 HG3 GLN A 98 -5.053 5.764 -9.027 1.00 0.62 H new ATOM 0 HE21 GLN A 98 -4.719 5.351 -11.144 1.00 1.52 H new ATOM 0 HE22 GLN A 98 -3.351 5.958 -12.083 1.00 1.52 H new ATOM 1516 N ILE A 99 -5.283 5.829 -5.339 1.00 0.28 N ATOM 1517 CA ILE A 99 -5.558 4.575 -4.656 1.00 0.32 C ATOM 1518 C ILE A 99 -7.031 4.458 -4.290 1.00 0.32 C ATOM 1519 O ILE A 99 -7.689 3.475 -4.631 1.00 0.43 O ATOM 1520 CB ILE A 99 -4.707 4.451 -3.375 1.00 0.36 C ATOM 1521 CG1 ILE A 99 -3.243 4.203 -3.737 1.00 0.35 C ATOM 1522 CG2 ILE A 99 -5.233 3.340 -2.479 1.00 0.48 C ATOM 1523 CD1 ILE A 99 -2.267 4.856 -2.784 1.00 0.43 C ATOM 0 H ILE A 99 -4.673 6.461 -4.821 1.00 0.28 H new ATOM 0 HA ILE A 99 -5.299 3.769 -5.343 1.00 0.32 H new ATOM 0 HB ILE A 99 -4.777 5.388 -2.823 1.00 0.36 H new ATOM 0 HG12 ILE A 99 -3.058 3.129 -3.754 1.00 0.35 H new ATOM 0 HG13 ILE A 99 -3.058 4.575 -4.745 1.00 0.35 H new ATOM 0 HG21 ILE A 99 -4.616 3.273 -1.583 1.00 0.48 H new ATOM 0 HG22 ILE A 99 -6.263 3.558 -2.195 1.00 0.48 H new ATOM 0 HG23 ILE A 99 -5.197 2.392 -3.016 1.00 0.48 H new ATOM 0 HD11 ILE A 99 -1.247 4.638 -3.102 1.00 0.43 H new ATOM 0 HD12 ILE A 99 -2.425 5.935 -2.784 1.00 0.43 H new ATOM 0 HD13 ILE A 99 -2.425 4.466 -1.778 1.00 0.43 H new ATOM 1535 N ILE A 100 -7.540 5.464 -3.588 1.00 0.28 N ATOM 1536 CA ILE A 100 -8.932 5.470 -3.170 1.00 0.30 C ATOM 1537 C ILE A 100 -9.867 5.363 -4.359 1.00 0.28 C ATOM 1538 O ILE A 100 -10.826 4.595 -4.333 1.00 0.29 O ATOM 1539 CB ILE A 100 -9.284 6.737 -2.382 1.00 0.33 C ATOM 1540 CG1 ILE A 100 -8.567 6.741 -1.031 1.00 0.35 C ATOM 1541 CG2 ILE A 100 -10.789 6.828 -2.202 1.00 0.37 C ATOM 1542 CD1 ILE A 100 -8.774 5.476 -0.220 1.00 0.32 C ATOM 0 H ILE A 100 -7.008 6.284 -3.298 1.00 0.28 H new ATOM 0 HA ILE A 100 -9.061 4.601 -2.525 1.00 0.30 H new ATOM 0 HB ILE A 100 -8.949 7.611 -2.940 1.00 0.33 H new ATOM 0 HG12 ILE A 100 -7.499 6.883 -1.198 1.00 0.35 H new ATOM 0 HG13 ILE A 100 -8.915 7.595 -0.449 1.00 0.35 H new ATOM 0 HG21 ILE A 100 -11.035 7.730 -1.641 1.00 0.37 H new ATOM 0 HG22 ILE A 100 -11.271 6.866 -3.179 1.00 0.37 H new ATOM 0 HG23 ILE A 100 -11.144 5.954 -1.656 1.00 0.37 H new ATOM 0 HD11 ILE A 100 -8.234 5.556 0.724 1.00 0.32 H new ATOM 0 HD12 ILE A 100 -9.837 5.342 -0.020 1.00 0.32 H new ATOM 0 HD13 ILE A 100 -8.400 4.619 -0.780 1.00 0.32 H new ATOM 1554 N GLU A 101 -9.590 6.137 -5.400 1.00 0.28 N ATOM 1555 CA GLU A 101 -10.415 6.108 -6.596 1.00 0.27 C ATOM 1556 C GLU A 101 -10.587 4.663 -7.047 1.00 0.25 C ATOM 1557 O GLU A 101 -11.656 4.259 -7.511 1.00 0.23 O ATOM 1558 CB GLU A 101 -9.789 6.959 -7.701 1.00 0.31 C ATOM 1559 CG GLU A 101 -10.293 8.394 -7.709 1.00 0.42 C ATOM 1560 CD GLU A 101 -10.810 8.823 -9.069 1.00 0.54 C ATOM 1561 OE1 GLU A 101 -10.054 8.705 -10.056 1.00 1.09 O ATOM 1562 OE2 GLU A 101 -11.972 9.276 -9.147 1.00 0.93 O ATOM 0 H GLU A 101 -8.806 6.788 -5.439 1.00 0.28 H new ATOM 0 HA GLU A 101 -11.395 6.530 -6.374 1.00 0.27 H new ATOM 0 HB2 GLU A 101 -8.706 6.962 -7.579 1.00 0.31 H new ATOM 0 HB3 GLU A 101 -10.000 6.501 -8.667 1.00 0.31 H new ATOM 0 HG2 GLU A 101 -11.089 8.500 -6.972 1.00 0.42 H new ATOM 0 HG3 GLU A 101 -9.486 9.060 -7.404 1.00 0.42 H new ATOM 1569 N GLN A 102 -9.530 3.878 -6.860 1.00 0.27 N ATOM 1570 CA GLN A 102 -9.562 2.467 -7.202 1.00 0.28 C ATOM 1571 C GLN A 102 -10.390 1.713 -6.169 1.00 0.26 C ATOM 1572 O GLN A 102 -11.069 0.738 -6.486 1.00 0.28 O ATOM 1573 CB GLN A 102 -8.143 1.896 -7.264 1.00 0.35 C ATOM 1574 CG GLN A 102 -7.607 1.745 -8.679 1.00 0.56 C ATOM 1575 CD GLN A 102 -7.560 3.061 -9.430 1.00 0.85 C ATOM 1576 OE1 GLN A 102 -6.542 3.753 -9.430 1.00 1.85 O ATOM 1577 NE2 GLN A 102 -8.666 3.416 -10.075 1.00 0.67 N ATOM 0 H GLN A 102 -8.642 4.199 -6.473 1.00 0.27 H new ATOM 0 HA GLN A 102 -10.019 2.350 -8.185 1.00 0.28 H new ATOM 0 HB2 GLN A 102 -7.474 2.545 -6.699 1.00 0.35 H new ATOM 0 HB3 GLN A 102 -8.131 0.922 -6.774 1.00 0.35 H new ATOM 0 HG2 GLN A 102 -6.605 1.318 -8.640 1.00 0.56 H new ATOM 0 HG3 GLN A 102 -8.233 1.041 -9.227 1.00 0.56 H new ATOM 0 HE21 GLN A 102 -9.488 2.812 -10.049 1.00 0.67 H new ATOM 0 HE22 GLN A 102 -8.693 4.292 -10.596 1.00 0.67 H new ATOM 1586 N LEU A 103 -10.338 2.193 -4.931 1.00 0.26 N ATOM 1587 CA LEU A 103 -11.094 1.593 -3.841 1.00 0.25 C ATOM 1588 C LEU A 103 -12.591 1.753 -4.085 1.00 0.26 C ATOM 1589 O LEU A 103 -13.390 0.909 -3.681 1.00 0.37 O ATOM 1590 CB LEU A 103 -10.710 2.238 -2.508 1.00 0.29 C ATOM 1591 CG LEU A 103 -10.385 1.256 -1.380 1.00 0.41 C ATOM 1592 CD1 LEU A 103 -9.875 2.003 -0.158 1.00 1.37 C ATOM 1593 CD2 LEU A 103 -11.609 0.423 -1.028 1.00 1.02 C ATOM 0 H LEU A 103 -9.777 3.000 -4.658 1.00 0.26 H new ATOM 0 HA LEU A 103 -10.855 0.530 -3.799 1.00 0.25 H new ATOM 0 HB2 LEU A 103 -9.845 2.881 -2.669 1.00 0.29 H new ATOM 0 HB3 LEU A 103 -11.529 2.881 -2.184 1.00 0.29 H new ATOM 0 HG LEU A 103 -9.600 0.582 -1.723 1.00 0.41 H new ATOM 0 HD11 LEU A 103 -9.648 1.291 0.635 1.00 1.37 H new ATOM 0 HD12 LEU A 103 -8.972 2.555 -0.419 1.00 1.37 H new ATOM 0 HD13 LEU A 103 -10.639 2.700 0.187 1.00 1.37 H new ATOM 0 HD21 LEU A 103 -11.359 -0.269 -0.224 1.00 1.02 H new ATOM 0 HD22 LEU A 103 -12.415 1.080 -0.703 1.00 1.02 H new ATOM 0 HD23 LEU A 103 -11.931 -0.139 -1.905 1.00 1.02 H new ATOM 1605 N ILE A 104 -12.964 2.840 -4.759 1.00 0.26 N ATOM 1606 CA ILE A 104 -14.365 3.099 -5.065 1.00 0.30 C ATOM 1607 C ILE A 104 -14.885 2.069 -6.055 1.00 0.28 C ATOM 1608 O ILE A 104 -15.993 1.553 -5.908 1.00 0.34 O ATOM 1609 CB ILE A 104 -14.578 4.507 -5.660 1.00 0.37 C ATOM 1610 CG1 ILE A 104 -13.715 5.540 -4.935 1.00 0.37 C ATOM 1611 CG2 ILE A 104 -16.048 4.894 -5.582 1.00 0.45 C ATOM 1612 CD1 ILE A 104 -13.612 6.862 -5.666 1.00 0.43 C ATOM 0 H ILE A 104 -12.317 3.551 -5.101 1.00 0.26 H new ATOM 0 HA ILE A 104 -14.912 3.034 -4.125 1.00 0.30 H new ATOM 0 HB ILE A 104 -14.275 4.487 -6.707 1.00 0.37 H new ATOM 0 HG12 ILE A 104 -14.129 5.715 -3.942 1.00 0.37 H new ATOM 0 HG13 ILE A 104 -12.714 5.132 -4.796 1.00 0.37 H new ATOM 0 HG21 ILE A 104 -16.185 5.889 -6.005 1.00 0.45 H new ATOM 0 HG22 ILE A 104 -16.644 4.175 -6.145 1.00 0.45 H new ATOM 0 HG23 ILE A 104 -16.369 4.895 -4.540 1.00 0.45 H new ATOM 0 HD11 ILE A 104 -12.985 7.546 -5.094 1.00 0.43 H new ATOM 0 HD12 ILE A 104 -13.170 6.701 -6.649 1.00 0.43 H new ATOM 0 HD13 ILE A 104 -14.607 7.292 -5.782 1.00 0.43 H new ATOM 1624 N LYS A 105 -14.071 1.771 -7.064 1.00 0.24 N ATOM 1625 CA LYS A 105 -14.448 0.799 -8.082 1.00 0.29 C ATOM 1626 C LYS A 105 -14.403 -0.627 -7.532 1.00 0.29 C ATOM 1627 O LYS A 105 -14.677 -1.584 -8.257 1.00 0.31 O ATOM 1628 CB LYS A 105 -13.534 0.922 -9.308 1.00 0.36 C ATOM 1629 CG LYS A 105 -12.197 0.212 -9.157 1.00 0.53 C ATOM 1630 CD LYS A 105 -11.703 -0.335 -10.486 1.00 0.62 C ATOM 1631 CE LYS A 105 -10.953 0.724 -11.280 1.00 1.05 C ATOM 1632 NZ LYS A 105 -10.242 0.141 -12.452 1.00 1.65 N ATOM 0 H LYS A 105 -13.150 2.188 -7.197 1.00 0.24 H new ATOM 0 HA LYS A 105 -15.473 1.014 -8.383 1.00 0.29 H new ATOM 0 HB2 LYS A 105 -14.053 0.517 -10.177 1.00 0.36 H new ATOM 0 HB3 LYS A 105 -13.352 1.978 -9.509 1.00 0.36 H new ATOM 0 HG2 LYS A 105 -11.460 0.905 -8.751 1.00 0.53 H new ATOM 0 HG3 LYS A 105 -12.296 -0.604 -8.441 1.00 0.53 H new ATOM 0 HD2 LYS A 105 -11.050 -1.189 -10.309 1.00 0.62 H new ATOM 0 HD3 LYS A 105 -12.550 -0.697 -11.069 1.00 0.62 H new ATOM 0 HE2 LYS A 105 -11.654 1.485 -11.623 1.00 1.05 H new ATOM 0 HE3 LYS A 105 -10.234 1.223 -10.631 1.00 1.05 H new ATOM 0 HZ1 LYS A 105 -9.744 0.895 -12.966 1.00 1.65 H new ATOM 0 HZ2 LYS A 105 -9.554 -0.567 -12.124 1.00 1.65 H new ATOM 0 HZ3 LYS A 105 -10.931 -0.313 -13.085 1.00 1.65 H new ATOM 1646 N LYS A 106 -14.065 -0.771 -6.249 1.00 0.29 N ATOM 1647 CA LYS A 106 -14.002 -2.093 -5.633 1.00 0.32 C ATOM 1648 C LYS A 106 -14.858 -2.147 -4.370 1.00 0.35 C ATOM 1649 O LYS A 106 -15.770 -1.337 -4.199 1.00 0.56 O ATOM 1650 CB LYS A 106 -12.553 -2.479 -5.321 1.00 0.30 C ATOM 1651 CG LYS A 106 -11.920 -1.660 -4.210 1.00 0.38 C ATOM 1652 CD LYS A 106 -10.694 -2.354 -3.638 1.00 0.52 C ATOM 1653 CE LYS A 106 -9.588 -2.488 -4.675 1.00 0.68 C ATOM 1654 NZ LYS A 106 -9.434 -1.250 -5.488 1.00 1.27 N ATOM 0 H LYS A 106 -13.834 0.002 -5.625 1.00 0.29 H new ATOM 0 HA LYS A 106 -14.402 -2.815 -6.345 1.00 0.32 H new ATOM 0 HB2 LYS A 106 -12.520 -3.533 -5.045 1.00 0.30 H new ATOM 0 HB3 LYS A 106 -11.955 -2.368 -6.226 1.00 0.30 H new ATOM 0 HG2 LYS A 106 -11.639 -0.679 -4.594 1.00 0.38 H new ATOM 0 HG3 LYS A 106 -12.649 -1.495 -3.417 1.00 0.38 H new ATOM 0 HD2 LYS A 106 -10.323 -1.791 -2.781 1.00 0.52 H new ATOM 0 HD3 LYS A 106 -10.973 -3.343 -3.273 1.00 0.52 H new ATOM 0 HE2 LYS A 106 -8.646 -2.712 -4.174 1.00 0.68 H new ATOM 0 HE3 LYS A 106 -9.807 -3.329 -5.333 1.00 0.68 H new ATOM 0 HZ1 LYS A 106 -8.578 -1.324 -6.074 1.00 1.27 H new ATOM 0 HZ2 LYS A 106 -10.265 -1.132 -6.102 1.00 1.27 H new ATOM 0 HZ3 LYS A 106 -9.351 -0.428 -4.856 1.00 1.27 H new ATOM 1668 N GLU A 107 -14.573 -3.107 -3.492 1.00 0.33 N ATOM 1669 CA GLU A 107 -15.337 -3.254 -2.262 1.00 0.36 C ATOM 1670 C GLU A 107 -14.641 -2.580 -1.084 1.00 0.34 C ATOM 1671 O GLU A 107 -14.920 -1.425 -0.768 1.00 0.64 O ATOM 1672 CB GLU A 107 -15.586 -4.735 -1.958 1.00 0.42 C ATOM 1673 CG GLU A 107 -16.521 -4.964 -0.782 1.00 0.58 C ATOM 1674 CD GLU A 107 -17.756 -5.758 -1.161 1.00 0.89 C ATOM 1675 OE1 GLU A 107 -18.085 -5.807 -2.365 1.00 1.21 O ATOM 1676 OE2 GLU A 107 -18.394 -6.330 -0.253 1.00 1.44 O ATOM 0 H GLU A 107 -13.823 -3.789 -3.611 1.00 0.33 H new ATOM 0 HA GLU A 107 -16.296 -2.758 -2.409 1.00 0.36 H new ATOM 0 HB2 GLU A 107 -16.004 -5.214 -2.843 1.00 0.42 H new ATOM 0 HB3 GLU A 107 -14.632 -5.221 -1.753 1.00 0.42 H new ATOM 0 HG2 GLU A 107 -15.984 -5.491 0.007 1.00 0.58 H new ATOM 0 HG3 GLU A 107 -16.825 -4.001 -0.372 1.00 0.58 H new ATOM 1683 N LYS A 108 -13.749 -3.306 -0.420 1.00 0.34 N ATOM 1684 CA LYS A 108 -13.051 -2.760 0.739 1.00 0.34 C ATOM 1685 C LYS A 108 -11.680 -3.389 0.951 1.00 0.37 C ATOM 1686 O LYS A 108 -11.542 -4.610 0.953 1.00 0.61 O ATOM 1687 CB LYS A 108 -13.893 -2.992 1.994 1.00 0.35 C ATOM 1688 CG LYS A 108 -14.298 -4.448 2.179 1.00 0.48 C ATOM 1689 CD LYS A 108 -14.899 -4.703 3.551 1.00 0.40 C ATOM 1690 CE LYS A 108 -16.416 -4.610 3.519 1.00 0.51 C ATOM 1691 NZ LYS A 108 -17.000 -4.589 4.889 1.00 1.23 N ATOM 0 H LYS A 108 -13.494 -4.264 -0.660 1.00 0.34 H new ATOM 0 HA LYS A 108 -12.905 -1.696 0.551 1.00 0.34 H new ATOM 0 HB2 LYS A 108 -13.330 -2.663 2.868 1.00 0.35 H new ATOM 0 HB3 LYS A 108 -14.790 -2.375 1.942 1.00 0.35 H new ATOM 0 HG2 LYS A 108 -15.020 -4.724 1.410 1.00 0.48 H new ATOM 0 HG3 LYS A 108 -13.426 -5.087 2.041 1.00 0.48 H new ATOM 0 HD2 LYS A 108 -14.601 -5.691 3.902 1.00 0.40 H new ATOM 0 HD3 LYS A 108 -14.504 -3.979 4.263 1.00 0.40 H new ATOM 0 HE2 LYS A 108 -16.713 -3.708 2.984 1.00 0.51 H new ATOM 0 HE3 LYS A 108 -16.820 -5.457 2.965 1.00 0.51 H new ATOM 0 HZ1 LYS A 108 -18.036 -4.525 4.824 1.00 1.23 H new ATOM 0 HZ2 LYS A 108 -16.738 -5.461 5.392 1.00 1.23 H new ATOM 0 HZ3 LYS A 108 -16.634 -3.766 5.410 1.00 1.23 H new ATOM 1705 N VAL A 109 -10.677 -2.546 1.180 1.00 0.20 N ATOM 1706 CA VAL A 109 -9.330 -3.027 1.449 1.00 0.22 C ATOM 1707 C VAL A 109 -8.954 -2.722 2.892 1.00 0.21 C ATOM 1708 O VAL A 109 -8.963 -1.564 3.313 1.00 0.23 O ATOM 1709 CB VAL A 109 -8.265 -2.411 0.514 1.00 0.24 C ATOM 1710 CG1 VAL A 109 -8.546 -2.783 -0.932 1.00 0.28 C ATOM 1711 CG2 VAL A 109 -8.207 -0.898 0.674 1.00 0.23 C ATOM 0 H VAL A 109 -10.773 -1.531 1.184 1.00 0.20 H new ATOM 0 HA VAL A 109 -9.342 -4.101 1.266 1.00 0.22 H new ATOM 0 HB VAL A 109 -7.294 -2.818 0.795 1.00 0.24 H new ATOM 0 HG11 VAL A 109 -7.786 -2.340 -1.576 1.00 0.28 H new ATOM 0 HG12 VAL A 109 -8.526 -3.868 -1.039 1.00 0.28 H new ATOM 0 HG13 VAL A 109 -9.528 -2.408 -1.220 1.00 0.28 H new ATOM 0 HG21 VAL A 109 -7.450 -0.490 0.005 1.00 0.23 H new ATOM 0 HG22 VAL A 109 -9.178 -0.469 0.428 1.00 0.23 H new ATOM 0 HG23 VAL A 109 -7.952 -0.651 1.704 1.00 0.23 H new ATOM 1721 N TYR A 110 -8.619 -3.752 3.652 1.00 0.20 N ATOM 1722 CA TYR A 110 -8.236 -3.553 5.036 1.00 0.21 C ATOM 1723 C TYR A 110 -6.785 -3.098 5.066 1.00 0.22 C ATOM 1724 O TYR A 110 -5.874 -3.886 4.830 1.00 0.21 O ATOM 1725 CB TYR A 110 -8.454 -4.854 5.830 1.00 0.25 C ATOM 1726 CG TYR A 110 -7.331 -5.240 6.771 1.00 0.26 C ATOM 1727 CD1 TYR A 110 -7.107 -4.526 7.940 1.00 0.44 C ATOM 1728 CD2 TYR A 110 -6.492 -6.304 6.483 1.00 0.27 C ATOM 1729 CE1 TYR A 110 -6.080 -4.864 8.798 1.00 0.53 C ATOM 1730 CE2 TYR A 110 -5.461 -6.651 7.329 1.00 0.36 C ATOM 1731 CZ TYR A 110 -5.285 -5.966 8.505 1.00 0.48 C ATOM 1732 OH TYR A 110 -4.229 -6.271 9.336 1.00 0.59 O ATOM 0 H TYR A 110 -8.605 -4.722 3.337 1.00 0.20 H new ATOM 0 HA TYR A 110 -8.851 -2.786 5.507 1.00 0.21 H new ATOM 0 HB2 TYR A 110 -9.372 -4.756 6.409 1.00 0.25 H new ATOM 0 HB3 TYR A 110 -8.608 -5.669 5.123 1.00 0.25 H new ATOM 0 HD1 TYR A 110 -7.748 -3.691 8.183 1.00 0.44 H new ATOM 0 HD2 TYR A 110 -6.649 -6.872 5.578 1.00 0.27 H new ATOM 0 HE1 TYR A 110 -5.896 -4.279 9.687 1.00 0.53 H new ATOM 0 HE2 TYR A 110 -4.794 -7.459 7.067 1.00 0.36 H new ATOM 0 HH TYR A 110 -3.769 -7.068 9.001 1.00 0.59 H new ATOM 1742 N LEU A 111 -6.579 -1.811 5.317 1.00 0.25 N ATOM 1743 CA LEU A 111 -5.238 -1.247 5.331 1.00 0.30 C ATOM 1744 C LEU A 111 -4.744 -1.032 6.746 1.00 0.41 C ATOM 1745 O LEU A 111 -5.367 -0.315 7.529 1.00 0.64 O ATOM 1746 CB LEU A 111 -5.206 0.072 4.560 1.00 0.50 C ATOM 1747 CG LEU A 111 -4.276 0.078 3.345 1.00 0.81 C ATOM 1748 CD1 LEU A 111 -4.960 0.722 2.151 1.00 1.76 C ATOM 1749 CD2 LEU A 111 -2.976 0.797 3.672 1.00 1.34 C ATOM 0 H LEU A 111 -7.322 -1.141 5.513 1.00 0.25 H new ATOM 0 HA LEU A 111 -4.573 -1.961 4.845 1.00 0.30 H new ATOM 0 HB2 LEU A 111 -6.217 0.308 4.228 1.00 0.50 H new ATOM 0 HB3 LEU A 111 -4.900 0.867 5.239 1.00 0.50 H new ATOM 0 HG LEU A 111 -4.041 -0.955 3.087 1.00 0.81 H new ATOM 0 HD11 LEU A 111 -4.283 0.717 1.297 1.00 1.76 H new ATOM 0 HD12 LEU A 111 -5.862 0.162 1.902 1.00 1.76 H new ATOM 0 HD13 LEU A 111 -5.227 1.750 2.396 1.00 1.76 H new ATOM 0 HD21 LEU A 111 -2.327 0.791 2.796 1.00 1.34 H new ATOM 0 HD22 LEU A 111 -3.192 1.827 3.957 1.00 1.34 H new ATOM 0 HD23 LEU A 111 -2.477 0.289 4.497 1.00 1.34 H new ATOM 1761 N ALA A 112 -3.618 -1.656 7.076 1.00 0.34 N ATOM 1762 CA ALA A 112 -3.062 -1.508 8.417 1.00 0.54 C ATOM 1763 C ALA A 112 -1.584 -1.877 8.486 1.00 0.41 C ATOM 1764 O ALA A 112 -1.059 -2.586 7.622 1.00 0.42 O ATOM 1765 CB ALA A 112 -3.857 -2.346 9.407 1.00 0.83 C ATOM 0 H ALA A 112 -3.082 -2.256 6.449 1.00 0.34 H new ATOM 0 HA ALA A 112 -3.139 -0.453 8.680 1.00 0.54 H new ATOM 0 HB1 ALA A 112 -3.434 -2.229 10.405 1.00 0.83 H new ATOM 0 HB2 ALA A 112 -4.896 -2.015 9.412 1.00 0.83 H new ATOM 0 HB3 ALA A 112 -3.812 -3.395 9.115 1.00 0.83 H new ATOM 1771 N TRP A 113 -0.929 -1.385 9.541 1.00 0.40 N ATOM 1772 CA TRP A 113 0.482 -1.652 9.776 1.00 0.46 C ATOM 1773 C TRP A 113 0.877 -1.336 11.219 1.00 0.85 C ATOM 1774 O TRP A 113 0.295 -0.460 11.858 1.00 1.15 O ATOM 1775 CB TRP A 113 1.365 -0.837 8.828 1.00 0.31 C ATOM 1776 CG TRP A 113 2.825 -1.034 9.107 1.00 0.53 C ATOM 1777 CD1 TRP A 113 3.750 -0.068 9.381 1.00 1.31 C ATOM 1778 CD2 TRP A 113 3.524 -2.284 9.150 1.00 1.12 C ATOM 1779 NE1 TRP A 113 4.982 -0.641 9.587 1.00 1.23 N ATOM 1780 CE2 TRP A 113 4.868 -2.001 9.452 1.00 0.98 C ATOM 1781 CE3 TRP A 113 3.142 -3.616 8.963 1.00 2.26 C ATOM 1782 CZ2 TRP A 113 5.830 -3.001 9.572 1.00 1.57 C ATOM 1783 CZ3 TRP A 113 4.098 -4.606 9.082 1.00 3.00 C ATOM 1784 CH2 TRP A 113 5.428 -4.294 9.385 1.00 2.58 C ATOM 0 H TRP A 113 -1.364 -0.794 10.250 1.00 0.40 H new ATOM 0 HA TRP A 113 0.637 -2.715 9.588 1.00 0.46 H new ATOM 0 HB2 TRP A 113 1.151 -1.124 7.798 1.00 0.31 H new ATOM 0 HB3 TRP A 113 1.118 0.220 8.922 1.00 0.31 H new ATOM 0 HD1 TRP A 113 3.544 0.991 9.429 1.00 1.31 H new ATOM 0 HE1 TRP A 113 5.841 -0.137 9.805 1.00 1.23 H new ATOM 0 HE3 TRP A 113 2.118 -3.866 8.730 1.00 2.26 H new ATOM 0 HZ2 TRP A 113 6.857 -2.763 9.805 1.00 1.57 H new ATOM 0 HZ3 TRP A 113 3.814 -5.638 8.939 1.00 3.00 H new ATOM 0 HH2 TRP A 113 6.152 -5.091 9.473 1.00 2.58 H new ATOM 1795 N VAL A 114 1.899 -2.035 11.701 1.00 1.03 N ATOM 1796 CA VAL A 114 2.423 -1.821 13.044 1.00 1.40 C ATOM 1797 C VAL A 114 3.846 -1.264 12.947 1.00 1.31 C ATOM 1798 O VAL A 114 4.708 -1.873 12.315 1.00 1.22 O ATOM 1799 CB VAL A 114 2.420 -3.125 13.869 1.00 1.86 C ATOM 1800 CG1 VAL A 114 3.164 -4.231 13.138 1.00 2.21 C ATOM 1801 CG2 VAL A 114 3.017 -2.891 15.249 1.00 2.36 C ATOM 0 H VAL A 114 2.385 -2.762 11.175 1.00 1.03 H new ATOM 0 HA VAL A 114 1.778 -1.107 13.556 1.00 1.40 H new ATOM 0 HB VAL A 114 1.385 -3.443 13.996 1.00 1.86 H new ATOM 0 HG11 VAL A 114 3.148 -5.140 13.740 1.00 2.21 H new ATOM 0 HG12 VAL A 114 2.682 -4.422 12.179 1.00 2.21 H new ATOM 0 HG13 VAL A 114 4.197 -3.925 12.970 1.00 2.21 H new ATOM 0 HG21 VAL A 114 3.005 -3.823 15.814 1.00 2.36 H new ATOM 0 HG22 VAL A 114 4.045 -2.542 15.147 1.00 2.36 H new ATOM 0 HG23 VAL A 114 2.430 -2.140 15.777 1.00 2.36 H new ATOM 1811 N PRO A 115 4.105 -0.087 13.547 1.00 1.47 N ATOM 1812 CA PRO A 115 5.419 0.561 13.496 1.00 1.43 C ATOM 1813 C PRO A 115 6.584 -0.422 13.563 1.00 1.51 C ATOM 1814 O PRO A 115 6.818 -1.055 14.594 1.00 1.86 O ATOM 1815 CB PRO A 115 5.387 1.452 14.733 1.00 1.79 C ATOM 1816 CG PRO A 115 3.959 1.865 14.853 1.00 2.19 C ATOM 1817 CD PRO A 115 3.132 0.725 14.304 1.00 1.82 C ATOM 0 HA PRO A 115 5.581 1.091 12.557 1.00 1.43 H new ATOM 0 HB2 PRO A 115 5.721 0.913 15.620 1.00 1.79 H new ATOM 0 HB3 PRO A 115 6.042 2.315 14.618 1.00 1.79 H new ATOM 0 HG2 PRO A 115 3.700 2.066 15.892 1.00 2.19 H new ATOM 0 HG3 PRO A 115 3.773 2.783 14.295 1.00 2.19 H new ATOM 0 HD2 PRO A 115 2.666 0.148 15.103 1.00 1.82 H new ATOM 0 HD3 PRO A 115 2.329 1.087 13.662 1.00 1.82 H new ATOM 1825 N ALA A 116 7.316 -0.532 12.449 1.00 1.35 N ATOM 1826 CA ALA A 116 8.468 -1.429 12.357 1.00 1.57 C ATOM 1827 C ALA A 116 9.096 -1.391 10.964 1.00 1.27 C ATOM 1828 O ALA A 116 10.313 -1.519 10.820 1.00 1.85 O ATOM 1829 CB ALA A 116 8.066 -2.855 12.707 1.00 2.13 C ATOM 0 H ALA A 116 7.128 -0.007 11.595 1.00 1.35 H new ATOM 0 HA ALA A 116 9.211 -1.082 13.075 1.00 1.57 H new ATOM 0 HB1 ALA A 116 8.936 -3.507 12.633 1.00 2.13 H new ATOM 0 HB2 ALA A 116 7.677 -2.884 13.725 1.00 2.13 H new ATOM 0 HB3 ALA A 116 7.297 -3.197 12.014 1.00 2.13 H new ATOM 1835 N HIS A 117 8.258 -1.226 9.940 1.00 1.34 N ATOM 1836 CA HIS A 117 8.728 -1.185 8.552 1.00 1.30 C ATOM 1837 C HIS A 117 9.510 -2.453 8.207 1.00 1.21 C ATOM 1838 O HIS A 117 10.715 -2.398 7.957 1.00 1.73 O ATOM 1839 CB HIS A 117 9.604 0.053 8.315 1.00 1.75 C ATOM 1840 CG HIS A 117 8.905 1.156 7.577 1.00 1.67 C ATOM 1841 ND1 HIS A 117 7.568 1.448 7.753 1.00 1.57 N ATOM 1842 CD2 HIS A 117 9.363 2.045 6.657 1.00 1.77 C ATOM 1843 CE1 HIS A 117 7.233 2.464 6.978 1.00 1.61 C ATOM 1844 NE2 HIS A 117 8.302 2.845 6.303 1.00 1.73 N ATOM 0 H HIS A 117 7.249 -1.118 10.044 1.00 1.34 H new ATOM 0 HA HIS A 117 7.855 -1.127 7.902 1.00 1.30 H new ATOM 0 HB2 HIS A 117 9.948 0.433 9.277 1.00 1.75 H new ATOM 0 HB3 HIS A 117 10.490 -0.243 7.754 1.00 1.75 H new ATOM 0 HD2 HIS A 117 10.371 2.111 6.275 1.00 1.77 H new ATOM 0 HE1 HIS A 117 6.251 2.908 6.908 1.00 1.61 H new ATOM 0 HE2 HIS A 117 8.335 3.609 5.628 1.00 1.73 H new ATOM 1853 N LYS A 118 8.824 -3.596 8.206 1.00 0.97 N ATOM 1854 CA LYS A 118 9.470 -4.872 7.902 1.00 1.25 C ATOM 1855 C LYS A 118 8.714 -5.659 6.830 1.00 1.39 C ATOM 1856 O LYS A 118 9.006 -6.833 6.597 1.00 1.65 O ATOM 1857 CB LYS A 118 9.587 -5.719 9.173 1.00 1.76 C ATOM 1858 CG LYS A 118 10.336 -5.028 10.302 1.00 1.81 C ATOM 1859 CD LYS A 118 10.134 -5.747 11.627 1.00 2.21 C ATOM 1860 CE LYS A 118 11.405 -5.749 12.461 1.00 2.73 C ATOM 1861 NZ LYS A 118 11.514 -6.971 13.306 1.00 3.15 N ATOM 0 H LYS A 118 7.827 -3.664 8.411 1.00 0.97 H new ATOM 0 HA LYS A 118 10.463 -4.647 7.513 1.00 1.25 H new ATOM 0 HB2 LYS A 118 8.587 -5.979 9.519 1.00 1.76 H new ATOM 0 HB3 LYS A 118 10.094 -6.653 8.931 1.00 1.76 H new ATOM 0 HG2 LYS A 118 11.399 -4.991 10.065 1.00 1.81 H new ATOM 0 HG3 LYS A 118 9.993 -3.997 10.390 1.00 1.81 H new ATOM 0 HD2 LYS A 118 9.332 -5.264 12.185 1.00 2.21 H new ATOM 0 HD3 LYS A 118 9.819 -6.774 11.440 1.00 2.21 H new ATOM 0 HE2 LYS A 118 12.271 -5.685 11.802 1.00 2.73 H new ATOM 0 HE3 LYS A 118 11.422 -4.865 13.098 1.00 2.73 H new ATOM 0 HZ1 LYS A 118 12.394 -6.933 13.859 1.00 3.15 H new ATOM 0 HZ2 LYS A 118 10.701 -7.020 13.953 1.00 3.15 H new ATOM 0 HZ3 LYS A 118 11.523 -7.814 12.697 1.00 3.15 H new ATOM 1875 N GLY A 119 7.746 -5.018 6.179 1.00 1.53 N ATOM 1876 CA GLY A 119 6.974 -5.694 5.144 1.00 2.08 C ATOM 1877 C GLY A 119 6.118 -6.816 5.703 1.00 1.57 C ATOM 1878 O GLY A 119 5.984 -6.947 6.920 1.00 1.96 O ATOM 0 H GLY A 119 7.482 -4.047 6.347 1.00 1.53 H new ATOM 0 HA2 GLY A 119 6.335 -4.970 4.639 1.00 2.08 H new ATOM 0 HA3 GLY A 119 7.653 -6.098 4.393 1.00 2.08 H new ATOM 1882 N ILE A 120 5.537 -7.632 4.821 1.00 1.17 N ATOM 1883 CA ILE A 120 4.696 -8.740 5.263 1.00 1.20 C ATOM 1884 C ILE A 120 4.440 -9.761 4.147 1.00 0.94 C ATOM 1885 O ILE A 120 4.425 -10.966 4.399 1.00 1.54 O ATOM 1886 CB ILE A 120 3.349 -8.231 5.831 1.00 1.91 C ATOM 1887 CG1 ILE A 120 2.873 -9.148 6.960 1.00 3.06 C ATOM 1888 CG2 ILE A 120 2.289 -8.129 4.742 1.00 1.88 C ATOM 1889 CD1 ILE A 120 2.116 -8.421 8.051 1.00 4.00 C ATOM 0 H ILE A 120 5.633 -7.547 3.809 1.00 1.17 H new ATOM 0 HA ILE A 120 5.247 -9.245 6.056 1.00 1.20 H new ATOM 0 HB ILE A 120 3.508 -7.230 6.231 1.00 1.91 H new ATOM 0 HG12 ILE A 120 2.233 -9.925 6.541 1.00 3.06 H new ATOM 0 HG13 ILE A 120 3.736 -9.648 7.399 1.00 3.06 H new ATOM 0 HG21 ILE A 120 1.356 -7.769 5.175 1.00 1.88 H new ATOM 0 HG22 ILE A 120 2.624 -7.434 3.972 1.00 1.88 H new ATOM 0 HG23 ILE A 120 2.128 -9.111 4.298 1.00 1.88 H new ATOM 0 HD11 ILE A 120 1.809 -9.133 8.817 1.00 4.00 H new ATOM 0 HD12 ILE A 120 2.759 -7.662 8.497 1.00 4.00 H new ATOM 0 HD13 ILE A 120 1.233 -7.944 7.625 1.00 4.00 H new ATOM 1901 N GLY A 121 4.234 -9.282 2.921 1.00 0.85 N ATOM 1902 CA GLY A 121 3.978 -10.187 1.808 1.00 0.94 C ATOM 1903 C GLY A 121 5.131 -10.244 0.825 1.00 1.25 C ATOM 1904 O GLY A 121 5.223 -11.173 0.021 1.00 1.83 O ATOM 0 H GLY A 121 4.239 -8.291 2.678 1.00 0.85 H new ATOM 0 HA2 GLY A 121 3.786 -11.188 2.195 1.00 0.94 H new ATOM 0 HA3 GLY A 121 3.076 -9.869 1.286 1.00 0.94 H new ATOM 1908 N GLY A 122 6.013 -9.251 0.888 1.00 1.20 N ATOM 1909 CA GLY A 122 7.153 -9.213 -0.009 1.00 1.58 C ATOM 1910 C GLY A 122 8.473 -9.352 0.723 1.00 1.42 C ATOM 1911 O GLY A 122 9.521 -9.524 0.099 1.00 1.85 O ATOM 0 H GLY A 122 5.958 -8.472 1.544 1.00 1.20 H new ATOM 0 HA2 GLY A 122 7.061 -10.015 -0.742 1.00 1.58 H new ATOM 0 HA3 GLY A 122 7.145 -8.274 -0.562 1.00 1.58 H new ATOM 1915 N ASN A 123 8.425 -9.276 2.049 1.00 1.26 N ATOM 1916 CA ASN A 123 9.628 -9.393 2.867 1.00 1.10 C ATOM 1917 C ASN A 123 9.769 -10.804 3.431 1.00 1.27 C ATOM 1918 O ASN A 123 10.302 -10.996 4.525 1.00 1.81 O ATOM 1919 CB ASN A 123 9.595 -8.376 4.007 1.00 1.03 C ATOM 1920 CG ASN A 123 10.670 -7.316 3.868 1.00 1.90 C ATOM 1921 OD1 ASN A 123 11.839 -7.557 4.168 1.00 2.42 O ATOM 1922 ND2 ASN A 123 10.278 -6.132 3.410 1.00 2.73 N ATOM 0 H ASN A 123 7.566 -9.134 2.581 1.00 1.26 H new ATOM 0 HA ASN A 123 10.490 -9.188 2.232 1.00 1.10 H new ATOM 0 HB2 ASN A 123 8.617 -7.896 4.034 1.00 1.03 H new ATOM 0 HB3 ASN A 123 9.721 -8.895 4.957 1.00 1.03 H new ATOM 0 HD21 ASN A 123 10.957 -5.379 3.295 1.00 2.73 H new ATOM 0 HD22 ASN A 123 9.298 -5.976 3.173 1.00 2.73 H new ATOM 1929 N GLU A 124 9.291 -11.789 2.676 1.00 1.71 N ATOM 1930 CA GLU A 124 9.366 -13.182 3.101 1.00 2.13 C ATOM 1931 C GLU A 124 10.803 -13.690 3.047 1.00 2.98 C ATOM 1932 O GLU A 124 11.259 -14.389 3.952 1.00 3.46 O ATOM 1933 CB GLU A 124 8.471 -14.054 2.217 1.00 2.22 C ATOM 1934 CG GLU A 124 7.958 -15.303 2.915 1.00 2.49 C ATOM 1935 CD GLU A 124 6.613 -15.757 2.385 1.00 3.25 C ATOM 1936 OE1 GLU A 124 5.827 -14.894 1.939 1.00 3.68 O ATOM 1937 OE2 GLU A 124 6.343 -16.976 2.415 1.00 3.75 O ATOM 0 H GLU A 124 8.848 -11.648 1.768 1.00 1.71 H new ATOM 0 HA GLU A 124 9.017 -13.242 4.132 1.00 2.13 H new ATOM 0 HB2 GLU A 124 7.621 -13.462 1.879 1.00 2.22 H new ATOM 0 HB3 GLU A 124 9.029 -14.348 1.328 1.00 2.22 H new ATOM 0 HG2 GLU A 124 8.683 -16.107 2.791 1.00 2.49 H new ATOM 0 HG3 GLU A 124 7.876 -15.109 3.984 1.00 2.49 H new ATOM 1944 N GLN A 125 11.511 -13.332 1.981 1.00 3.49 N ATOM 1945 CA GLN A 125 12.898 -13.749 1.805 1.00 4.42 C ATOM 1946 C GLN A 125 13.589 -12.908 0.737 1.00 4.27 C ATOM 1947 O GLN A 125 14.658 -12.344 0.972 1.00 4.61 O ATOM 1948 CB GLN A 125 12.960 -15.231 1.426 1.00 5.31 C ATOM 1949 CG GLN A 125 14.376 -15.772 1.309 1.00 6.26 C ATOM 1950 CD GLN A 125 14.501 -17.194 1.818 1.00 7.06 C ATOM 1951 OE1 GLN A 125 13.880 -17.566 2.813 1.00 7.67 O ATOM 1952 NE2 GLN A 125 15.310 -17.998 1.137 1.00 7.33 N ATOM 0 H GLN A 125 11.147 -12.753 1.224 1.00 3.49 H new ATOM 0 HA GLN A 125 13.420 -13.600 2.750 1.00 4.42 H new ATOM 0 HB2 GLN A 125 12.419 -15.811 2.174 1.00 5.31 H new ATOM 0 HB3 GLN A 125 12.445 -15.376 0.476 1.00 5.31 H new ATOM 0 HG2 GLN A 125 14.690 -15.735 0.266 1.00 6.26 H new ATOM 0 HG3 GLN A 125 15.054 -15.129 1.869 1.00 6.26 H new ATOM 0 HE21 GLN A 125 15.806 -17.648 0.317 1.00 7.33 H new ATOM 0 HE22 GLN A 125 15.435 -18.966 1.434 1.00 7.33 H new ATOM 1961 N VAL A 126 12.971 -12.829 -0.437 1.00 4.14 N ATOM 1962 CA VAL A 126 13.523 -12.056 -1.543 1.00 4.18 C ATOM 1963 C VAL A 126 12.961 -10.639 -1.559 1.00 3.46 C ATOM 1964 O VAL A 126 11.784 -10.432 -1.857 1.00 3.81 O ATOM 1965 CB VAL A 126 13.232 -12.729 -2.898 1.00 5.08 C ATOM 1966 CG1 VAL A 126 13.995 -12.035 -4.018 1.00 5.82 C ATOM 1967 CG2 VAL A 126 13.578 -14.210 -2.844 1.00 5.31 C ATOM 0 H VAL A 126 12.086 -13.292 -0.647 1.00 4.14 H new ATOM 0 HA VAL A 126 14.602 -12.013 -1.392 1.00 4.18 H new ATOM 0 HB VAL A 126 12.166 -12.635 -3.106 1.00 5.08 H new ATOM 0 HG11 VAL A 126 13.776 -12.526 -4.966 1.00 5.82 H new ATOM 0 HG12 VAL A 126 13.691 -10.990 -4.072 1.00 5.82 H new ATOM 0 HG13 VAL A 126 15.065 -12.092 -3.819 1.00 5.82 H new ATOM 0 HG21 VAL A 126 13.366 -14.669 -3.810 1.00 5.31 H new ATOM 0 HG22 VAL A 126 14.636 -14.328 -2.611 1.00 5.31 H new ATOM 0 HG23 VAL A 126 12.980 -14.695 -2.073 1.00 5.31 H new ATOM 1977 N ASP A 127 13.809 -9.667 -1.238 1.00 2.84 N ATOM 1978 CA ASP A 127 13.398 -8.268 -1.215 1.00 2.27 C ATOM 1979 C ASP A 127 14.610 -7.341 -1.227 1.00 2.09 C ATOM 1980 O ASP A 127 14.470 -6.120 -1.166 1.00 2.74 O ATOM 1981 CB ASP A 127 12.541 -7.988 0.022 1.00 2.15 C ATOM 1982 CG ASP A 127 11.653 -6.772 -0.155 1.00 1.91 C ATOM 1983 OD1 ASP A 127 10.568 -6.914 -0.758 1.00 2.11 O ATOM 1984 OD2 ASP A 127 12.040 -5.680 0.308 1.00 1.97 O ATOM 0 H ASP A 127 14.786 -9.823 -0.990 1.00 2.84 H new ATOM 0 HA ASP A 127 12.808 -8.075 -2.111 1.00 2.27 H new ATOM 0 HB2 ASP A 127 11.922 -8.859 0.237 1.00 2.15 H new ATOM 0 HB3 ASP A 127 13.190 -7.838 0.885 1.00 2.15 H new ATOM 1989 N LYS A 128 15.800 -7.931 -1.306 1.00 1.95 N ATOM 1990 CA LYS A 128 17.038 -7.157 -1.323 1.00 2.34 C ATOM 1991 C LYS A 128 17.818 -7.403 -2.612 1.00 2.68 C ATOM 1992 O LYS A 128 17.677 -8.451 -3.244 1.00 3.34 O ATOM 1993 CB LYS A 128 17.903 -7.516 -0.114 1.00 3.08 C ATOM 1994 CG LYS A 128 18.863 -6.413 0.299 1.00 3.86 C ATOM 1995 CD LYS A 128 19.936 -6.934 1.243 1.00 4.75 C ATOM 1996 CE LYS A 128 20.383 -5.862 2.224 1.00 5.70 C ATOM 1997 NZ LYS A 128 21.538 -6.314 3.049 1.00 6.64 N ATOM 0 H LYS A 128 15.933 -8.941 -1.359 1.00 1.95 H new ATOM 0 HA LYS A 128 16.777 -6.100 -1.275 1.00 2.34 H new ATOM 0 HB2 LYS A 128 17.254 -7.755 0.728 1.00 3.08 H new ATOM 0 HB3 LYS A 128 18.474 -8.416 -0.341 1.00 3.08 H new ATOM 0 HG2 LYS A 128 19.332 -5.987 -0.588 1.00 3.86 H new ATOM 0 HG3 LYS A 128 18.309 -5.609 0.784 1.00 3.86 H new ATOM 0 HD2 LYS A 128 19.553 -7.794 1.792 1.00 4.75 H new ATOM 0 HD3 LYS A 128 20.793 -7.281 0.666 1.00 4.75 H new ATOM 0 HE2 LYS A 128 20.658 -4.960 1.677 1.00 5.70 H new ATOM 0 HE3 LYS A 128 19.551 -5.597 2.877 1.00 5.70 H new ATOM 0 HZ1 LYS A 128 21.344 -6.122 4.053 1.00 6.64 H new ATOM 0 HZ2 LYS A 128 21.683 -7.335 2.914 1.00 6.64 H new ATOM 0 HZ3 LYS A 128 22.395 -5.801 2.758 1.00 6.64 H new ATOM 2011 N LEU A 129 18.641 -6.430 -2.995 1.00 2.74 N ATOM 2012 CA LEU A 129 19.445 -6.540 -4.208 1.00 3.44 C ATOM 2013 C LEU A 129 20.855 -7.025 -3.882 1.00 3.44 C ATOM 2014 O LEU A 129 21.175 -8.200 -4.064 1.00 4.06 O ATOM 2015 CB LEU A 129 19.508 -5.191 -4.929 1.00 4.20 C ATOM 2016 CG LEU A 129 20.224 -5.211 -6.280 1.00 5.09 C ATOM 2017 CD1 LEU A 129 19.354 -5.873 -7.337 1.00 5.95 C ATOM 2018 CD2 LEU A 129 20.598 -3.798 -6.704 1.00 5.63 C ATOM 0 H LEU A 129 18.768 -5.557 -2.483 1.00 2.74 H new ATOM 0 HA LEU A 129 18.972 -7.270 -4.864 1.00 3.44 H new ATOM 0 HB2 LEU A 129 18.491 -4.829 -5.080 1.00 4.20 H new ATOM 0 HB3 LEU A 129 20.009 -4.473 -4.280 1.00 4.20 H new ATOM 0 HG LEU A 129 21.139 -5.794 -6.176 1.00 5.09 H new ATOM 0 HD11 LEU A 129 19.881 -5.878 -8.291 1.00 5.95 H new ATOM 0 HD12 LEU A 129 19.135 -6.898 -7.038 1.00 5.95 H new ATOM 0 HD13 LEU A 129 18.421 -5.318 -7.440 1.00 5.95 H new ATOM 0 HD21 LEU A 129 21.107 -3.830 -7.667 1.00 5.63 H new ATOM 0 HD22 LEU A 129 19.695 -3.193 -6.790 1.00 5.63 H new ATOM 0 HD23 LEU A 129 21.260 -3.358 -5.958 1.00 5.63 H new ATOM 2030 N VAL A 130 21.695 -6.113 -3.398 1.00 3.30 N ATOM 2031 CA VAL A 130 23.069 -6.450 -3.044 1.00 3.91 C ATOM 2032 C VAL A 130 23.257 -6.439 -1.528 1.00 3.71 C ATOM 2033 O VAL A 130 22.310 -6.674 -0.778 1.00 3.95 O ATOM 2034 CB VAL A 130 24.079 -5.476 -3.688 1.00 4.75 C ATOM 2035 CG1 VAL A 130 25.330 -6.220 -4.127 1.00 5.80 C ATOM 2036 CG2 VAL A 130 23.453 -4.739 -4.863 1.00 5.04 C ATOM 0 H VAL A 130 21.447 -5.136 -3.243 1.00 3.30 H new ATOM 0 HA VAL A 130 23.259 -7.452 -3.427 1.00 3.91 H new ATOM 0 HB VAL A 130 24.361 -4.736 -2.939 1.00 4.75 H new ATOM 0 HG11 VAL A 130 26.031 -5.518 -4.579 1.00 5.80 H new ATOM 0 HG12 VAL A 130 25.796 -6.691 -3.261 1.00 5.80 H new ATOM 0 HG13 VAL A 130 25.062 -6.985 -4.856 1.00 5.80 H new ATOM 0 HG21 VAL A 130 24.186 -4.059 -5.298 1.00 5.04 H new ATOM 0 HG22 VAL A 130 23.134 -5.459 -5.616 1.00 5.04 H new ATOM 0 HG23 VAL A 130 22.590 -4.169 -4.517 1.00 5.04 H new ATOM 2046 N SER A 131 24.481 -6.166 -1.082 1.00 3.77 N ATOM 2047 CA SER A 131 24.782 -6.126 0.345 1.00 4.01 C ATOM 2048 C SER A 131 24.299 -4.820 0.969 1.00 3.49 C ATOM 2049 O SER A 131 24.245 -4.688 2.191 1.00 3.75 O ATOM 2050 CB SER A 131 26.286 -6.288 0.576 1.00 4.82 C ATOM 2051 OG SER A 131 27.003 -6.189 -0.643 1.00 5.37 O ATOM 0 H SER A 131 25.278 -5.970 -1.687 1.00 3.77 H new ATOM 0 HA SER A 131 24.256 -6.952 0.823 1.00 4.01 H new ATOM 0 HB2 SER A 131 26.635 -5.523 1.270 1.00 4.82 H new ATOM 0 HB3 SER A 131 26.484 -7.254 1.040 1.00 4.82 H new ATOM 0 HG SER A 131 27.962 -6.294 -0.468 1.00 5.37 H new ATOM 2057 N ALA A 132 23.949 -3.857 0.120 1.00 3.18 N ATOM 2058 CA ALA A 132 23.471 -2.562 0.588 1.00 2.91 C ATOM 2059 C ALA A 132 22.203 -2.145 -0.151 1.00 2.29 C ATOM 2060 O ALA A 132 21.109 -2.167 0.412 1.00 2.87 O ATOM 2061 CB ALA A 132 24.555 -1.507 0.422 1.00 3.32 C ATOM 0 H ALA A 132 23.988 -3.950 -0.895 1.00 3.18 H new ATOM 0 HA ALA A 132 23.229 -2.652 1.647 1.00 2.91 H new ATOM 0 HB1 ALA A 132 24.184 -0.545 0.776 1.00 3.32 H new ATOM 0 HB2 ALA A 132 25.433 -1.793 1.002 1.00 3.32 H new ATOM 0 HB3 ALA A 132 24.826 -1.426 -0.631 1.00 3.32 H new ATOM 2067 N GLY A 133 22.360 -1.764 -1.416 1.00 1.63 N ATOM 2068 CA GLY A 133 21.219 -1.348 -2.213 1.00 1.27 C ATOM 2069 C GLY A 133 20.695 0.016 -1.811 1.00 1.21 C ATOM 2070 O GLY A 133 20.936 0.480 -0.696 1.00 1.74 O ATOM 0 H GLY A 133 23.256 -1.736 -1.903 1.00 1.63 H new ATOM 0 HA2 GLY A 133 21.503 -1.329 -3.265 1.00 1.27 H new ATOM 0 HA3 GLY A 133 20.422 -2.084 -2.111 1.00 1.27 H new ATOM 2074 N ILE A 134 19.971 0.659 -2.722 1.00 1.04 N ATOM 2075 CA ILE A 134 19.405 1.975 -2.460 1.00 1.02 C ATOM 2076 C ILE A 134 17.949 1.862 -2.017 1.00 0.90 C ATOM 2077 O ILE A 134 17.038 2.291 -2.725 1.00 0.92 O ATOM 2078 CB ILE A 134 19.481 2.883 -3.705 1.00 1.15 C ATOM 2079 CG1 ILE A 134 20.745 2.581 -4.514 1.00 1.53 C ATOM 2080 CG2 ILE A 134 19.447 4.347 -3.294 1.00 1.28 C ATOM 2081 CD1 ILE A 134 20.708 3.133 -5.924 1.00 2.77 C ATOM 0 H ILE A 134 19.763 0.288 -3.649 1.00 1.04 H new ATOM 0 HA ILE A 134 19.997 2.421 -1.661 1.00 1.02 H new ATOM 0 HB ILE A 134 18.615 2.680 -4.335 1.00 1.15 H new ATOM 0 HG12 ILE A 134 21.608 2.996 -3.993 1.00 1.53 H new ATOM 0 HG13 ILE A 134 20.888 1.501 -4.559 1.00 1.53 H new ATOM 0 HG21 ILE A 134 19.501 4.976 -4.183 1.00 1.28 H new ATOM 0 HG22 ILE A 134 18.520 4.553 -2.760 1.00 1.28 H new ATOM 0 HG23 ILE A 134 20.296 4.562 -2.645 1.00 1.28 H new ATOM 0 HD11 ILE A 134 21.636 2.881 -6.438 1.00 2.77 H new ATOM 0 HD12 ILE A 134 19.866 2.699 -6.463 1.00 2.77 H new ATOM 0 HD13 ILE A 134 20.596 4.217 -5.888 1.00 2.77 H new ATOM 2093 N ARG A 135 17.737 1.272 -0.844 1.00 0.93 N ATOM 2094 CA ARG A 135 16.389 1.096 -0.315 1.00 0.92 C ATOM 2095 C ARG A 135 16.328 1.434 1.175 1.00 1.04 C ATOM 2096 O ARG A 135 15.806 0.660 1.978 1.00 1.72 O ATOM 2097 CB ARG A 135 15.912 -0.339 -0.553 1.00 1.07 C ATOM 2098 CG ARG A 135 16.736 -1.394 0.175 1.00 1.32 C ATOM 2099 CD ARG A 135 18.005 -1.749 -0.587 1.00 1.41 C ATOM 2100 NE ARG A 135 17.912 -1.419 -2.007 1.00 1.92 N ATOM 2101 CZ ARG A 135 17.829 -2.330 -2.972 1.00 2.58 C ATOM 2102 NH1 ARG A 135 17.800 -3.621 -2.670 1.00 3.01 N ATOM 2103 NH2 ARG A 135 17.770 -1.948 -4.241 1.00 3.36 N ATOM 0 H ARG A 135 18.478 0.909 -0.244 1.00 0.93 H new ATOM 0 HA ARG A 135 15.728 1.784 -0.842 1.00 0.92 H new ATOM 0 HB2 ARG A 135 14.872 -0.423 -0.237 1.00 1.07 H new ATOM 0 HB3 ARG A 135 15.938 -0.547 -1.623 1.00 1.07 H new ATOM 0 HG2 ARG A 135 16.999 -1.028 1.167 1.00 1.32 H new ATOM 0 HG3 ARG A 135 16.134 -2.292 0.315 1.00 1.32 H new ATOM 0 HD2 ARG A 135 18.850 -1.218 -0.148 1.00 1.41 H new ATOM 0 HD3 ARG A 135 18.206 -2.815 -0.477 1.00 1.41 H new ATOM 0 HE ARG A 135 17.911 -0.434 -2.273 1.00 1.92 H new ATOM 0 HH11 ARG A 135 17.841 -3.918 -1.695 1.00 3.01 H new ATOM 0 HH12 ARG A 135 17.736 -4.317 -3.413 1.00 3.01 H new ATOM 0 HH21 ARG A 135 17.788 -0.956 -4.476 1.00 3.36 H new ATOM 0 HH22 ARG A 135 17.706 -2.647 -4.981 1.00 3.36 H new ATOM 2117 N LYS A 136 16.860 2.597 1.537 1.00 0.78 N ATOM 2118 CA LYS A 136 16.860 3.033 2.931 1.00 0.90 C ATOM 2119 C LYS A 136 15.437 3.209 3.447 1.00 0.85 C ATOM 2120 O LYS A 136 14.726 4.125 3.034 1.00 1.11 O ATOM 2121 CB LYS A 136 17.628 4.345 3.081 1.00 1.02 C ATOM 2122 CG LYS A 136 19.043 4.290 2.528 1.00 1.02 C ATOM 2123 CD LYS A 136 20.074 4.618 3.596 1.00 0.98 C ATOM 2124 CE LYS A 136 20.539 6.062 3.497 1.00 1.41 C ATOM 2125 NZ LYS A 136 21.911 6.244 4.049 1.00 1.74 N ATOM 0 H LYS A 136 17.295 3.253 0.888 1.00 0.78 H new ATOM 0 HA LYS A 136 17.352 2.261 3.522 1.00 0.90 H new ATOM 0 HB2 LYS A 136 17.079 5.138 2.573 1.00 1.02 H new ATOM 0 HB3 LYS A 136 17.670 4.613 4.137 1.00 1.02 H new ATOM 0 HG2 LYS A 136 19.239 3.296 2.126 1.00 1.02 H new ATOM 0 HG3 LYS A 136 19.139 4.993 1.701 1.00 1.02 H new ATOM 0 HD2 LYS A 136 19.647 4.439 4.583 1.00 0.98 H new ATOM 0 HD3 LYS A 136 20.930 3.951 3.494 1.00 0.98 H new ATOM 0 HE2 LYS A 136 20.523 6.378 2.454 1.00 1.41 H new ATOM 0 HE3 LYS A 136 19.843 6.705 4.036 1.00 1.41 H new ATOM 0 HZ1 LYS A 136 22.190 7.242 3.963 1.00 1.74 H new ATOM 0 HZ2 LYS A 136 21.921 5.967 5.051 1.00 1.74 H new ATOM 0 HZ3 LYS A 136 22.580 5.650 3.519 1.00 1.74 H new ATOM 2139 N VAL A 137 15.030 2.328 4.355 1.00 1.02 N ATOM 2140 CA VAL A 137 13.693 2.389 4.931 1.00 1.09 C ATOM 2141 C VAL A 137 13.678 3.260 6.182 1.00 1.38 C ATOM 2142 O VAL A 137 14.602 3.211 6.996 1.00 1.96 O ATOM 2143 CB VAL A 137 13.163 0.985 5.283 1.00 1.65 C ATOM 2144 CG1 VAL A 137 13.065 0.122 4.034 1.00 2.46 C ATOM 2145 CG2 VAL A 137 14.048 0.320 6.327 1.00 2.13 C ATOM 0 H VAL A 137 15.607 1.564 4.707 1.00 1.02 H new ATOM 0 HA VAL A 137 13.042 2.829 4.176 1.00 1.09 H new ATOM 0 HB VAL A 137 12.164 1.093 5.705 1.00 1.65 H new ATOM 0 HG11 VAL A 137 12.689 -0.865 4.302 1.00 2.46 H new ATOM 0 HG12 VAL A 137 12.384 0.588 3.322 1.00 2.46 H new ATOM 0 HG13 VAL A 137 14.052 0.024 3.581 1.00 2.46 H new ATOM 0 HG21 VAL A 137 13.655 -0.670 6.560 1.00 2.13 H new ATOM 0 HG22 VAL A 137 15.062 0.225 5.938 1.00 2.13 H new ATOM 0 HG23 VAL A 137 14.062 0.927 7.232 1.00 2.13 H new ATOM 2155 N LEU A 138 12.628 4.061 6.331 1.00 1.42 N ATOM 2156 CA LEU A 138 12.499 4.945 7.483 1.00 2.10 C ATOM 2157 C LEU A 138 11.176 4.712 8.205 1.00 2.78 C ATOM 2158 O LEU A 138 11.212 4.298 9.382 1.00 3.22 O ATOM 2159 CB LEU A 138 12.607 6.407 7.043 1.00 2.17 C ATOM 2160 CG LEU A 138 13.956 7.068 7.322 1.00 2.84 C ATOM 2161 CD1 LEU A 138 14.267 8.117 6.268 1.00 2.82 C ATOM 2162 CD2 LEU A 138 13.968 7.685 8.713 1.00 3.79 C ATOM 2163 OXT LEU A 138 10.117 4.946 7.588 1.00 3.18 O ATOM 0 H LEU A 138 11.854 4.116 5.668 1.00 1.42 H new ATOM 0 HA LEU A 138 13.311 4.720 8.175 1.00 2.10 H new ATOM 0 HB2 LEU A 138 12.406 6.464 5.973 1.00 2.17 H new ATOM 0 HB3 LEU A 138 11.828 6.980 7.545 1.00 2.17 H new ATOM 0 HG LEU A 138 14.730 6.302 7.278 1.00 2.84 H new ATOM 0 HD11 LEU A 138 15.232 8.576 6.485 1.00 2.82 H new ATOM 0 HD12 LEU A 138 14.302 7.646 5.285 1.00 2.82 H new ATOM 0 HD13 LEU A 138 13.491 8.882 6.276 1.00 2.82 H new ATOM 0 HD21 LEU A 138 14.936 8.152 8.896 1.00 3.79 H new ATOM 0 HD22 LEU A 138 13.183 8.438 8.784 1.00 3.79 H new ATOM 0 HD23 LEU A 138 13.794 6.908 9.457 1.00 3.79 H new TER 2175 LEU A 138