USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 927 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 53 TYR OH : rot 166:sc= 1.31 USER MOD Set 1.2: A 111 HIS : no HD1:sc= 1.04 K(o=2.3,f=-5.3!) USER MOD Set 2.1: A 91 LYS NZ :NH3+ -131:sc= 1.48 (180deg=0) USER MOD Set 2.2: B 148 THR OG1 : rot -135:sc= 2.29 USER MOD Set 2.3: B 152 THR OG1 : rot 171:sc= 0.287 USER MOD Set 3.1: A 83 ASN : amide:sc= -0.111 X(o=-0.11,f=-0.15) USER MOD Set 3.2: A 84 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 68 THR OG1 : rot -14:sc= 1.15 USER MOD Set 4.2: A 71 ASN : amide:sc= 1.39 K(o=2.5,f=-5.2!) USER MOD Single : A 39 SER OG : rot 180:sc= -0.0377 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -174:sc= 2.26 (180deg=2.1) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 62:sc= 0.949 USER MOD Single : A 59 THR OG1 : rot -101:sc= 0.779 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 66 LYS NZ :NH3+ -112:sc= 2.23 (180deg=-0.993!) USER MOD Single : A 73 LYS NZ :NH3+ 157:sc= 0.788 (180deg=0.5) USER MOD Single : A 74 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0253) USER MOD Single : A 76 MET CE :methyl 158:sc= -0.0369 (180deg=-0.313) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 63:sc= 0.827 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN :FLIP amide:sc= -0.638! C(o=-2.4!,f=-0.64!) USER MOD Single : A 114 LYS NZ :NH3+ 156:sc= 0.719 (180deg=0.397) USER MOD Single : A 116 LYS NZ :NH3+ -178:sc= 0.664 (180deg=0.663) USER MOD Single : A 120 HIS :FLIP no HD1:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 129 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.072) USER MOD Single : A 134 SER OG : rot 121:sc= 1.22 USER MOD Single : A 135 LYS NZ :NH3+ -166:sc= 1.11 (180deg=0.283!) USER MOD Single : A 138 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 144 ASN : amide:sc= 0.17 X(o=0.17,f=0) USER MOD Single : B 145 TYR OH : rot 180:sc= 0 USER MOD Single : B 147 SER OG : rot 180:sc= 0 USER MOD Single : B 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 35 -26.155 -1.680 -8.342 1.00 10.97 N ATOM 2 CA GLY A 35 -26.850 -1.091 -7.176 1.00 10.19 C ATOM 3 C GLY A 35 -27.755 0.056 -7.571 1.00 9.10 C ATOM 4 O GLY A 35 -27.319 0.978 -8.260 1.00 8.96 O ATOM 0 HA2 GLY A 35 -27.439 -1.862 -6.678 1.00 10.19 H new ATOM 0 HA3 GLY A 35 -26.112 -0.738 -6.455 1.00 10.19 H new ATOM 10 N PRO A 36 -29.033 0.021 -7.157 1.00 8.54 N ATOM 11 CA PRO A 36 -29.996 1.084 -7.456 1.00 7.65 C ATOM 12 C PRO A 36 -29.543 2.444 -6.924 1.00 6.89 C ATOM 13 O PRO A 36 -29.774 3.477 -7.556 1.00 7.16 O ATOM 14 CB PRO A 36 -31.279 0.628 -6.748 1.00 7.68 C ATOM 15 CG PRO A 36 -30.848 -0.417 -5.774 1.00 8.48 C ATOM 16 CD PRO A 36 -29.639 -1.067 -6.377 1.00 9.00 C ATOM 0 HA PRO A 36 -30.121 1.225 -8.530 1.00 7.65 H new ATOM 0 HB2 PRO A 36 -31.764 1.461 -6.240 1.00 7.68 H new ATOM 0 HB3 PRO A 36 -31.999 0.227 -7.461 1.00 7.68 H new ATOM 0 HG2 PRO A 36 -30.612 0.025 -4.806 1.00 8.48 H new ATOM 0 HG3 PRO A 36 -31.641 -1.146 -5.607 1.00 8.48 H new ATOM 0 HD2 PRO A 36 -28.959 -1.443 -5.612 1.00 9.00 H new ATOM 0 HD3 PRO A 36 -29.909 -1.914 -7.008 1.00 9.00 H new ATOM 24 N LEU A 37 -28.889 2.446 -5.772 1.00 6.26 N ATOM 25 CA LEU A 37 -28.409 3.683 -5.183 1.00 5.84 C ATOM 26 C LEU A 37 -26.987 3.494 -4.667 1.00 5.04 C ATOM 27 O LEU A 37 -26.035 3.998 -5.257 1.00 5.27 O ATOM 28 CB LEU A 37 -29.353 4.132 -4.054 1.00 6.34 C ATOM 29 CG LEU A 37 -29.334 5.630 -3.717 1.00 6.76 C ATOM 30 CD1 LEU A 37 -28.028 6.040 -3.058 1.00 7.27 C ATOM 31 CD2 LEU A 37 -29.565 6.456 -4.972 1.00 7.42 C ATOM 0 H LEU A 37 -28.680 1.608 -5.230 1.00 6.26 H new ATOM 0 HA LEU A 37 -28.396 4.464 -5.944 1.00 5.84 H new ATOM 0 HB2 LEU A 37 -30.371 3.854 -4.326 1.00 6.34 H new ATOM 0 HB3 LEU A 37 -29.100 3.574 -3.153 1.00 6.34 H new ATOM 0 HG LEU A 37 -30.140 5.818 -3.008 1.00 6.76 H new ATOM 0 HD11 LEU A 37 -28.052 7.107 -2.835 1.00 7.27 H new ATOM 0 HD12 LEU A 37 -27.895 5.478 -2.133 1.00 7.27 H new ATOM 0 HD13 LEU A 37 -27.198 5.830 -3.733 1.00 7.27 H new ATOM 0 HD21 LEU A 37 -29.549 7.516 -4.718 1.00 7.42 H new ATOM 0 HD22 LEU A 37 -28.779 6.245 -5.697 1.00 7.42 H new ATOM 0 HD23 LEU A 37 -30.533 6.201 -5.403 1.00 7.42 H new ATOM 43 N GLY A 38 -26.853 2.747 -3.582 1.00 4.46 N ATOM 44 CA GLY A 38 -25.546 2.524 -3.000 1.00 3.99 C ATOM 45 C GLY A 38 -25.603 2.366 -1.497 1.00 3.17 C ATOM 46 O GLY A 38 -25.580 3.348 -0.757 1.00 3.12 O ATOM 0 H GLY A 38 -27.625 2.292 -3.094 1.00 4.46 H new ATOM 0 HA2 GLY A 38 -25.103 1.630 -3.440 1.00 3.99 H new ATOM 0 HA3 GLY A 38 -24.893 3.360 -3.250 1.00 3.99 H new ATOM 50 N SER A 39 -25.701 1.131 -1.046 1.00 3.10 N ATOM 51 CA SER A 39 -25.726 0.826 0.377 1.00 2.87 C ATOM 52 C SER A 39 -25.126 -0.552 0.594 1.00 2.54 C ATOM 53 O SER A 39 -25.414 -1.237 1.574 1.00 2.63 O ATOM 54 CB SER A 39 -27.161 0.876 0.902 1.00 3.26 C ATOM 55 OG SER A 39 -27.735 2.148 0.661 1.00 3.97 O ATOM 0 H SER A 39 -25.765 0.312 -1.650 1.00 3.10 H new ATOM 0 HA SER A 39 -25.141 1.566 0.923 1.00 2.87 H new ATOM 0 HB2 SER A 39 -27.758 0.104 0.418 1.00 3.26 H new ATOM 0 HB3 SER A 39 -27.171 0.663 1.971 1.00 3.26 H new ATOM 0 HG SER A 39 -28.654 2.162 1.002 1.00 3.97 H new ATOM 61 N ASP A 40 -24.270 -0.931 -0.336 1.00 2.38 N ATOM 62 CA ASP A 40 -23.717 -2.270 -0.376 1.00 2.24 C ATOM 63 C ASP A 40 -22.240 -2.250 -0.007 1.00 1.92 C ATOM 64 O ASP A 40 -21.406 -1.765 -0.773 1.00 1.94 O ATOM 65 CB ASP A 40 -23.910 -2.862 -1.776 1.00 2.59 C ATOM 66 CG ASP A 40 -25.346 -2.752 -2.257 1.00 2.94 C ATOM 67 OD1 ASP A 40 -25.755 -1.645 -2.674 1.00 3.46 O ATOM 68 OD2 ASP A 40 -26.076 -3.768 -2.232 1.00 3.15 O ATOM 0 H ASP A 40 -23.939 -0.320 -1.083 1.00 2.38 H new ATOM 0 HA ASP A 40 -24.239 -2.892 0.351 1.00 2.24 H new ATOM 0 HB2 ASP A 40 -23.254 -2.348 -2.479 1.00 2.59 H new ATOM 0 HB3 ASP A 40 -23.611 -3.910 -1.769 1.00 2.59 H new ATOM 73 N ASP A 41 -21.928 -2.759 1.176 1.00 1.79 N ATOM 74 CA ASP A 41 -20.552 -2.770 1.666 1.00 1.55 C ATOM 75 C ASP A 41 -19.736 -3.864 0.997 1.00 1.46 C ATOM 76 O ASP A 41 -19.773 -5.021 1.418 1.00 1.73 O ATOM 77 CB ASP A 41 -20.511 -2.963 3.184 1.00 1.57 C ATOM 78 CG ASP A 41 -20.201 -1.682 3.929 1.00 1.41 C ATOM 79 OD1 ASP A 41 -19.002 -1.368 4.106 1.00 1.44 O ATOM 80 OD2 ASP A 41 -21.146 -0.987 4.341 1.00 1.93 O ATOM 0 H ASP A 41 -22.607 -3.170 1.816 1.00 1.79 H new ATOM 0 HA ASP A 41 -20.115 -1.803 1.417 1.00 1.55 H new ATOM 0 HB2 ASP A 41 -21.471 -3.352 3.523 1.00 1.57 H new ATOM 0 HB3 ASP A 41 -19.759 -3.713 3.430 1.00 1.57 H new ATOM 85 N VAL A 42 -19.023 -3.495 -0.057 1.00 1.22 N ATOM 86 CA VAL A 42 -18.110 -4.411 -0.717 1.00 1.13 C ATOM 87 C VAL A 42 -16.819 -4.511 0.087 1.00 1.01 C ATOM 88 O VAL A 42 -16.139 -3.507 0.305 1.00 0.98 O ATOM 89 CB VAL A 42 -17.787 -3.959 -2.158 1.00 1.13 C ATOM 90 CG1 VAL A 42 -16.924 -4.990 -2.867 1.00 1.85 C ATOM 91 CG2 VAL A 42 -19.065 -3.704 -2.941 1.00 1.59 C ATOM 0 H VAL A 42 -19.061 -2.564 -0.473 1.00 1.22 H new ATOM 0 HA VAL A 42 -18.595 -5.385 -0.773 1.00 1.13 H new ATOM 0 HB VAL A 42 -17.227 -3.026 -2.102 1.00 1.13 H new ATOM 0 HG11 VAL A 42 -16.709 -4.650 -3.880 1.00 1.85 H new ATOM 0 HG12 VAL A 42 -15.989 -5.119 -2.322 1.00 1.85 H new ATOM 0 HG13 VAL A 42 -17.454 -5.942 -2.908 1.00 1.85 H new ATOM 0 HG21 VAL A 42 -18.814 -3.387 -3.953 1.00 1.59 H new ATOM 0 HG22 VAL A 42 -19.655 -4.620 -2.983 1.00 1.59 H new ATOM 0 HG23 VAL A 42 -19.644 -2.922 -2.449 1.00 1.59 H new ATOM 101 N GLU A 43 -16.506 -5.715 0.538 1.00 1.02 N ATOM 102 CA GLU A 43 -15.343 -5.944 1.382 1.00 0.97 C ATOM 103 C GLU A 43 -14.038 -5.698 0.631 1.00 0.80 C ATOM 104 O GLU A 43 -13.954 -5.879 -0.587 1.00 0.79 O ATOM 105 CB GLU A 43 -15.350 -7.368 1.945 1.00 1.17 C ATOM 106 CG GLU A 43 -16.621 -7.731 2.691 1.00 1.78 C ATOM 107 CD GLU A 43 -17.598 -8.498 1.827 1.00 2.27 C ATOM 108 OE1 GLU A 43 -17.960 -8.004 0.737 1.00 3.10 O ATOM 109 OE2 GLU A 43 -18.010 -9.604 2.238 1.00 2.15 O ATOM 0 H GLU A 43 -17.046 -6.556 0.332 1.00 1.02 H new ATOM 0 HA GLU A 43 -15.403 -5.231 2.204 1.00 0.97 H new ATOM 0 HB2 GLU A 43 -15.208 -8.072 1.125 1.00 1.17 H new ATOM 0 HB3 GLU A 43 -14.500 -7.486 2.617 1.00 1.17 H new ATOM 0 HG2 GLU A 43 -16.367 -8.329 3.566 1.00 1.78 H new ATOM 0 HG3 GLU A 43 -17.098 -6.821 3.054 1.00 1.78 H new ATOM 116 N TRP A 44 -13.027 -5.276 1.379 1.00 0.71 N ATOM 117 CA TRP A 44 -11.706 -5.022 0.837 1.00 0.60 C ATOM 118 C TRP A 44 -11.057 -6.349 0.469 1.00 0.60 C ATOM 119 O TRP A 44 -10.799 -7.186 1.338 1.00 0.64 O ATOM 120 CB TRP A 44 -10.864 -4.281 1.881 1.00 0.57 C ATOM 121 CG TRP A 44 -9.635 -3.628 1.329 1.00 0.48 C ATOM 122 CD1 TRP A 44 -9.475 -3.116 0.076 1.00 0.50 C ATOM 123 CD2 TRP A 44 -8.401 -3.393 2.021 1.00 0.44 C ATOM 124 NE1 TRP A 44 -8.216 -2.589 -0.057 1.00 0.46 N ATOM 125 CE2 TRP A 44 -7.540 -2.743 1.119 1.00 0.41 C ATOM 126 CE3 TRP A 44 -7.938 -3.669 3.309 1.00 0.48 C ATOM 127 CZ2 TRP A 44 -6.247 -2.365 1.461 1.00 0.41 C ATOM 128 CZ3 TRP A 44 -6.652 -3.291 3.650 1.00 0.49 C ATOM 129 CH2 TRP A 44 -5.820 -2.643 2.727 1.00 0.44 C ATOM 0 H TRP A 44 -13.104 -5.101 2.381 1.00 0.71 H new ATOM 0 HA TRP A 44 -11.777 -4.403 -0.057 1.00 0.60 H new ATOM 0 HB2 TRP A 44 -11.483 -3.520 2.357 1.00 0.57 H new ATOM 0 HB3 TRP A 44 -10.569 -4.985 2.659 1.00 0.57 H new ATOM 0 HD1 TRP A 44 -10.228 -3.124 -0.698 1.00 0.50 H new ATOM 0 HE1 TRP A 44 -7.844 -2.152 -0.900 1.00 0.46 H new ATOM 0 HE3 TRP A 44 -8.573 -4.169 4.026 1.00 0.48 H new ATOM 0 HZ2 TRP A 44 -5.603 -1.869 0.750 1.00 0.41 H new ATOM 0 HZ3 TRP A 44 -6.283 -3.499 4.644 1.00 0.49 H new ATOM 0 HH2 TRP A 44 -4.821 -2.358 3.023 1.00 0.44 H new ATOM 140 N VAL A 45 -10.795 -6.538 -0.817 1.00 0.61 N ATOM 141 CA VAL A 45 -10.281 -7.806 -1.323 1.00 0.64 C ATOM 142 C VAL A 45 -8.858 -8.073 -0.819 1.00 0.57 C ATOM 143 O VAL A 45 -8.319 -9.162 -0.988 1.00 0.69 O ATOM 144 CB VAL A 45 -10.315 -7.835 -2.869 1.00 0.72 C ATOM 145 CG1 VAL A 45 -9.255 -6.918 -3.462 1.00 1.45 C ATOM 146 CG2 VAL A 45 -10.163 -9.251 -3.393 1.00 1.28 C ATOM 0 H VAL A 45 -10.931 -5.825 -1.534 1.00 0.61 H new ATOM 0 HA VAL A 45 -10.929 -8.597 -0.944 1.00 0.64 H new ATOM 0 HB VAL A 45 -11.290 -7.464 -3.184 1.00 0.72 H new ATOM 0 HG11 VAL A 45 -9.304 -6.961 -4.550 1.00 1.45 H new ATOM 0 HG12 VAL A 45 -9.432 -5.895 -3.130 1.00 1.45 H new ATOM 0 HG13 VAL A 45 -8.268 -7.241 -3.131 1.00 1.45 H new ATOM 0 HG21 VAL A 45 -10.191 -9.241 -4.483 1.00 1.28 H new ATOM 0 HG22 VAL A 45 -9.211 -9.663 -3.058 1.00 1.28 H new ATOM 0 HG23 VAL A 45 -10.978 -9.868 -3.015 1.00 1.28 H new ATOM 156 N VAL A 46 -8.254 -7.073 -0.198 1.00 0.46 N ATOM 157 CA VAL A 46 -6.926 -7.233 0.383 1.00 0.42 C ATOM 158 C VAL A 46 -7.034 -7.717 1.828 1.00 0.38 C ATOM 159 O VAL A 46 -6.103 -8.308 2.375 1.00 0.41 O ATOM 160 CB VAL A 46 -6.138 -5.907 0.333 1.00 0.46 C ATOM 161 CG1 VAL A 46 -4.732 -6.079 0.884 1.00 0.54 C ATOM 162 CG2 VAL A 46 -6.094 -5.374 -1.087 1.00 1.10 C ATOM 0 H VAL A 46 -8.658 -6.144 -0.082 1.00 0.46 H new ATOM 0 HA VAL A 46 -6.389 -7.977 -0.205 1.00 0.42 H new ATOM 0 HB VAL A 46 -6.655 -5.183 0.963 1.00 0.46 H new ATOM 0 HG11 VAL A 46 -4.203 -5.127 0.835 1.00 0.54 H new ATOM 0 HG12 VAL A 46 -4.786 -6.411 1.921 1.00 0.54 H new ATOM 0 HG13 VAL A 46 -4.198 -6.822 0.292 1.00 0.54 H new ATOM 0 HG21 VAL A 46 -5.535 -4.438 -1.107 1.00 1.10 H new ATOM 0 HG22 VAL A 46 -5.606 -6.103 -1.734 1.00 1.10 H new ATOM 0 HG23 VAL A 46 -7.110 -5.198 -1.441 1.00 1.10 H new ATOM 172 N GLY A 47 -8.198 -7.498 2.422 1.00 0.40 N ATOM 173 CA GLY A 47 -8.398 -7.824 3.817 1.00 0.47 C ATOM 174 C GLY A 47 -8.493 -9.315 4.066 1.00 0.49 C ATOM 175 O GLY A 47 -8.301 -9.773 5.189 1.00 0.59 O ATOM 0 H GLY A 47 -9.013 -7.097 1.957 1.00 0.40 H new ATOM 0 HA2 GLY A 47 -7.575 -7.415 4.402 1.00 0.47 H new ATOM 0 HA3 GLY A 47 -9.310 -7.343 4.170 1.00 0.47 H new ATOM 179 N LYS A 48 -8.781 -10.075 3.017 1.00 0.49 N ATOM 180 CA LYS A 48 -8.915 -11.522 3.143 1.00 0.61 C ATOM 181 C LYS A 48 -7.551 -12.193 3.249 1.00 0.60 C ATOM 182 O LYS A 48 -7.428 -13.274 3.822 1.00 0.73 O ATOM 183 CB LYS A 48 -9.696 -12.107 1.966 1.00 0.72 C ATOM 184 CG LYS A 48 -9.163 -11.704 0.603 1.00 0.74 C ATOM 185 CD LYS A 48 -9.840 -12.486 -0.517 1.00 0.96 C ATOM 186 CE LYS A 48 -11.357 -12.466 -0.382 1.00 1.82 C ATOM 187 NZ LYS A 48 -12.025 -13.220 -1.475 1.00 2.46 N ATOM 0 H LYS A 48 -8.926 -9.716 2.073 1.00 0.49 H new ATOM 0 HA LYS A 48 -9.470 -11.719 4.060 1.00 0.61 H new ATOM 0 HB2 LYS A 48 -9.684 -13.194 2.041 1.00 0.72 H new ATOM 0 HB3 LYS A 48 -10.737 -11.794 2.044 1.00 0.72 H new ATOM 0 HG2 LYS A 48 -9.322 -10.637 0.450 1.00 0.74 H new ATOM 0 HG3 LYS A 48 -8.087 -11.874 0.567 1.00 0.74 H new ATOM 0 HD2 LYS A 48 -9.555 -12.063 -1.480 1.00 0.96 H new ATOM 0 HD3 LYS A 48 -9.487 -13.517 -0.505 1.00 0.96 H new ATOM 0 HE2 LYS A 48 -11.641 -12.894 0.579 1.00 1.82 H new ATOM 0 HE3 LYS A 48 -11.708 -11.434 -0.387 1.00 1.82 H new ATOM 0 HZ1 LYS A 48 -13.056 -13.181 -1.344 1.00 2.46 H new ATOM 0 HZ2 LYS A 48 -11.776 -12.796 -2.392 1.00 2.46 H new ATOM 0 HZ3 LYS A 48 -11.711 -14.211 -1.455 1.00 2.46 H new ATOM 201 N ASP A 49 -6.527 -11.547 2.699 1.00 0.48 N ATOM 202 CA ASP A 49 -5.164 -12.072 2.769 1.00 0.50 C ATOM 203 C ASP A 49 -4.384 -11.344 3.850 1.00 0.44 C ATOM 204 O ASP A 49 -3.170 -11.170 3.748 1.00 0.45 O ATOM 205 CB ASP A 49 -4.437 -11.887 1.430 1.00 0.60 C ATOM 206 CG ASP A 49 -5.019 -12.711 0.301 1.00 1.16 C ATOM 207 OD1 ASP A 49 -5.955 -12.233 -0.373 1.00 1.66 O ATOM 208 OD2 ASP A 49 -4.516 -13.828 0.058 1.00 1.52 O ATOM 0 H ASP A 49 -6.613 -10.661 2.201 1.00 0.48 H new ATOM 0 HA ASP A 49 -5.225 -13.135 3.000 1.00 0.50 H new ATOM 0 HB2 ASP A 49 -4.469 -10.833 1.152 1.00 0.60 H new ATOM 0 HB3 ASP A 49 -3.387 -12.152 1.557 1.00 0.60 H new ATOM 213 N LYS A 50 -5.076 -10.974 4.917 1.00 0.43 N ATOM 214 CA LYS A 50 -4.459 -10.193 5.979 1.00 0.49 C ATOM 215 C LYS A 50 -3.397 -10.969 6.756 1.00 0.45 C ATOM 216 O LYS A 50 -2.283 -10.493 6.839 1.00 0.45 O ATOM 217 CB LYS A 50 -5.493 -9.612 6.945 1.00 0.70 C ATOM 218 CG LYS A 50 -5.847 -8.161 6.652 1.00 0.72 C ATOM 219 CD LYS A 50 -4.599 -7.325 6.387 1.00 0.90 C ATOM 220 CE LYS A 50 -4.621 -6.002 7.143 1.00 1.01 C ATOM 221 NZ LYS A 50 -4.436 -6.191 8.608 1.00 1.15 N ATOM 0 H LYS A 50 -6.059 -11.200 5.070 1.00 0.43 H new ATOM 0 HA LYS A 50 -3.958 -9.370 5.470 1.00 0.49 H new ATOM 0 HB2 LYS A 50 -6.400 -10.215 6.901 1.00 0.70 H new ATOM 0 HB3 LYS A 50 -5.110 -9.686 7.963 1.00 0.70 H new ATOM 0 HG2 LYS A 50 -6.508 -8.114 5.787 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -6.395 -7.741 7.495 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -3.715 -7.893 6.677 1.00 0.90 H new ATOM 0 HD3 LYS A 50 -4.515 -7.129 5.318 1.00 0.90 H new ATOM 0 HE2 LYS A 50 -3.834 -5.353 6.759 1.00 1.01 H new ATOM 0 HE3 LYS A 50 -5.569 -5.496 6.960 1.00 1.01 H new ATOM 0 HZ1 LYS A 50 -4.559 -5.280 9.094 1.00 1.15 H new ATOM 0 HZ2 LYS A 50 -5.140 -6.870 8.962 1.00 1.15 H new ATOM 0 HZ3 LYS A 50 -3.480 -6.556 8.793 1.00 1.15 H new ATOM 235 N PRO A 51 -3.705 -12.168 7.315 1.00 0.49 N ATOM 236 CA PRO A 51 -2.776 -12.901 8.198 1.00 0.58 C ATOM 237 C PRO A 51 -1.322 -12.902 7.706 1.00 0.46 C ATOM 238 O PRO A 51 -0.391 -12.710 8.492 1.00 0.47 O ATOM 239 CB PRO A 51 -3.352 -14.317 8.195 1.00 0.69 C ATOM 240 CG PRO A 51 -4.816 -14.115 8.028 1.00 0.75 C ATOM 241 CD PRO A 51 -4.970 -12.914 7.134 1.00 0.55 C ATOM 0 HA PRO A 51 -2.713 -12.440 9.184 1.00 0.58 H new ATOM 0 HB2 PRO A 51 -2.937 -14.914 7.383 1.00 0.69 H new ATOM 0 HB3 PRO A 51 -3.126 -14.841 9.124 1.00 0.69 H new ATOM 0 HG2 PRO A 51 -5.283 -14.994 7.584 1.00 0.75 H new ATOM 0 HG3 PRO A 51 -5.299 -13.949 8.991 1.00 0.75 H new ATOM 0 HD2 PRO A 51 -5.115 -13.207 6.094 1.00 0.55 H new ATOM 0 HD3 PRO A 51 -5.833 -12.312 7.419 1.00 0.55 H new ATOM 249 N THR A 52 -1.132 -13.086 6.404 1.00 0.38 N ATOM 250 CA THR A 52 0.204 -13.093 5.823 1.00 0.36 C ATOM 251 C THR A 52 0.828 -11.692 5.845 1.00 0.26 C ATOM 252 O THR A 52 1.993 -11.517 6.224 1.00 0.28 O ATOM 253 CB THR A 52 0.161 -13.617 4.375 1.00 0.42 C ATOM 254 OG1 THR A 52 -0.372 -14.950 4.356 1.00 0.68 O ATOM 255 CG2 THR A 52 1.546 -13.609 3.742 1.00 0.66 C ATOM 0 H THR A 52 -1.886 -13.232 5.732 1.00 0.38 H new ATOM 0 HA THR A 52 0.822 -13.757 6.428 1.00 0.36 H new ATOM 0 HB THR A 52 -0.482 -12.955 3.795 1.00 0.42 H new ATOM 0 HG1 THR A 52 -0.399 -15.278 3.433 1.00 0.68 H new ATOM 0 HG21 THR A 52 1.481 -13.984 2.721 1.00 0.66 H new ATOM 0 HG22 THR A 52 1.935 -12.591 3.730 1.00 0.66 H new ATOM 0 HG23 THR A 52 2.214 -14.246 4.321 1.00 0.66 H new ATOM 263 N TYR A 53 0.041 -10.689 5.464 1.00 0.22 N ATOM 264 CA TYR A 53 0.542 -9.322 5.393 1.00 0.23 C ATOM 265 C TYR A 53 0.698 -8.750 6.795 1.00 0.23 C ATOM 266 O TYR A 53 1.504 -7.850 7.025 1.00 0.24 O ATOM 267 CB TYR A 53 -0.415 -8.441 4.579 1.00 0.33 C ATOM 268 CG TYR A 53 -0.772 -8.992 3.214 1.00 0.39 C ATOM 269 CD1 TYR A 53 0.048 -9.909 2.561 1.00 0.41 C ATOM 270 CD2 TYR A 53 -1.938 -8.588 2.573 1.00 0.53 C ATOM 271 CE1 TYR A 53 -0.284 -10.403 1.315 1.00 0.49 C ATOM 272 CE2 TYR A 53 -2.275 -9.079 1.328 1.00 0.62 C ATOM 273 CZ TYR A 53 -1.446 -9.986 0.704 1.00 0.57 C ATOM 274 OH TYR A 53 -1.782 -10.476 -0.537 1.00 0.69 O ATOM 0 H TYR A 53 -0.939 -10.797 5.202 1.00 0.22 H new ATOM 0 HA TYR A 53 1.514 -9.336 4.899 1.00 0.23 H new ATOM 0 HB2 TYR A 53 -1.332 -8.299 5.150 1.00 0.33 H new ATOM 0 HB3 TYR A 53 0.037 -7.457 4.452 1.00 0.33 H new ATOM 0 HD1 TYR A 53 0.959 -10.239 3.037 1.00 0.41 H new ATOM 0 HD2 TYR A 53 -2.591 -7.878 3.058 1.00 0.53 H new ATOM 0 HE1 TYR A 53 0.364 -11.113 0.822 1.00 0.49 H new ATOM 0 HE2 TYR A 53 -3.184 -8.754 0.845 1.00 0.62 H new ATOM 0 HH TYR A 53 -2.719 -10.264 -0.729 1.00 0.69 H new ATOM 284 N ASP A 54 -0.045 -9.316 7.739 1.00 0.28 N ATOM 285 CA ASP A 54 0.065 -8.934 9.138 1.00 0.35 C ATOM 286 C ASP A 54 1.392 -9.417 9.676 1.00 0.33 C ATOM 287 O ASP A 54 2.110 -8.686 10.358 1.00 0.35 O ATOM 288 CB ASP A 54 -1.070 -9.534 9.980 1.00 0.51 C ATOM 289 CG ASP A 54 -2.447 -9.012 9.606 1.00 1.35 C ATOM 290 OD1 ASP A 54 -2.547 -7.881 9.097 1.00 1.83 O ATOM 291 OD2 ASP A 54 -3.442 -9.740 9.822 1.00 2.18 O ATOM 0 H ASP A 54 -0.734 -10.046 7.557 1.00 0.28 H new ATOM 0 HA ASP A 54 -0.006 -7.848 9.202 1.00 0.35 H new ATOM 0 HB2 ASP A 54 -1.059 -10.618 9.869 1.00 0.51 H new ATOM 0 HB3 ASP A 54 -0.883 -9.320 11.032 1.00 0.51 H new ATOM 296 N GLU A 55 1.720 -10.655 9.331 1.00 0.35 N ATOM 297 CA GLU A 55 2.976 -11.252 9.742 1.00 0.43 C ATOM 298 C GLU A 55 4.144 -10.401 9.265 1.00 0.38 C ATOM 299 O GLU A 55 5.043 -10.078 10.032 1.00 0.46 O ATOM 300 CB GLU A 55 3.088 -12.678 9.197 1.00 0.54 C ATOM 301 CG GLU A 55 4.257 -13.458 9.774 1.00 1.31 C ATOM 302 CD GLU A 55 4.185 -13.559 11.282 1.00 1.54 C ATOM 303 OE1 GLU A 55 3.406 -14.394 11.786 1.00 1.65 O ATOM 304 OE2 GLU A 55 4.876 -12.786 11.969 1.00 2.33 O ATOM 0 H GLU A 55 1.129 -11.264 8.765 1.00 0.35 H new ATOM 0 HA GLU A 55 3.005 -11.297 10.831 1.00 0.43 H new ATOM 0 HB2 GLU A 55 2.163 -13.214 9.411 1.00 0.54 H new ATOM 0 HB3 GLU A 55 3.189 -12.637 8.112 1.00 0.54 H new ATOM 0 HG2 GLU A 55 4.271 -14.460 9.344 1.00 1.31 H new ATOM 0 HG3 GLU A 55 5.191 -12.975 9.488 1.00 1.31 H new ATOM 311 N ILE A 56 4.105 -10.010 8.004 1.00 0.32 N ATOM 312 CA ILE A 56 5.183 -9.223 7.421 1.00 0.35 C ATOM 313 C ILE A 56 5.201 -7.792 7.977 1.00 0.32 C ATOM 314 O ILE A 56 6.270 -7.222 8.211 1.00 0.45 O ATOM 315 CB ILE A 56 5.058 -9.182 5.886 1.00 0.39 C ATOM 316 CG1 ILE A 56 4.971 -10.608 5.335 1.00 0.45 C ATOM 317 CG2 ILE A 56 6.244 -8.446 5.272 1.00 0.45 C ATOM 318 CD1 ILE A 56 4.450 -10.676 3.922 1.00 0.64 C ATOM 0 H ILE A 56 3.341 -10.223 7.363 1.00 0.32 H new ATOM 0 HA ILE A 56 6.121 -9.708 7.692 1.00 0.35 H new ATOM 0 HB ILE A 56 4.148 -8.643 5.621 1.00 0.39 H new ATOM 0 HG12 ILE A 56 5.960 -11.064 5.371 1.00 0.45 H new ATOM 0 HG13 ILE A 56 4.323 -11.200 5.982 1.00 0.45 H new ATOM 0 HG21 ILE A 56 6.138 -8.427 4.187 1.00 0.45 H new ATOM 0 HG22 ILE A 56 6.274 -7.425 5.652 1.00 0.45 H new ATOM 0 HG23 ILE A 56 7.168 -8.959 5.538 1.00 0.45 H new ATOM 0 HD11 ILE A 56 4.415 -11.716 3.597 1.00 0.64 H new ATOM 0 HD12 ILE A 56 3.448 -10.250 3.883 1.00 0.64 H new ATOM 0 HD13 ILE A 56 5.110 -10.112 3.263 1.00 0.64 H new ATOM 330 N PHE A 57 4.020 -7.225 8.201 1.00 0.20 N ATOM 331 CA PHE A 57 3.910 -5.858 8.702 1.00 0.19 C ATOM 332 C PHE A 57 4.457 -5.751 10.121 1.00 0.16 C ATOM 333 O PHE A 57 5.228 -4.840 10.434 1.00 0.15 O ATOM 334 CB PHE A 57 2.446 -5.392 8.666 1.00 0.21 C ATOM 335 CG PHE A 57 2.248 -3.967 9.105 1.00 0.21 C ATOM 336 CD1 PHE A 57 2.543 -2.920 8.254 1.00 0.26 C ATOM 337 CD2 PHE A 57 1.770 -3.677 10.372 1.00 0.22 C ATOM 338 CE1 PHE A 57 2.365 -1.612 8.654 1.00 0.29 C ATOM 339 CE2 PHE A 57 1.589 -2.369 10.779 1.00 0.25 C ATOM 340 CZ PHE A 57 1.889 -1.336 9.918 1.00 0.27 C ATOM 0 H PHE A 57 3.126 -7.690 8.044 1.00 0.20 H new ATOM 0 HA PHE A 57 4.504 -5.213 8.055 1.00 0.19 H new ATOM 0 HB2 PHE A 57 2.064 -5.506 7.652 1.00 0.21 H new ATOM 0 HB3 PHE A 57 1.852 -6.045 9.305 1.00 0.21 H new ATOM 0 HD1 PHE A 57 2.918 -3.128 7.263 1.00 0.26 H new ATOM 0 HD2 PHE A 57 1.536 -4.484 11.051 1.00 0.22 H new ATOM 0 HE1 PHE A 57 2.599 -0.804 7.977 1.00 0.29 H new ATOM 0 HE2 PHE A 57 1.213 -2.157 11.769 1.00 0.25 H new ATOM 0 HZ PHE A 57 1.752 -0.312 10.233 1.00 0.27 H new ATOM 350 N TYR A 58 4.087 -6.698 10.973 1.00 0.19 N ATOM 351 CA TYR A 58 4.455 -6.631 12.382 1.00 0.22 C ATOM 352 C TYR A 58 5.894 -7.095 12.606 1.00 0.26 C ATOM 353 O TYR A 58 6.464 -6.875 13.677 1.00 0.39 O ATOM 354 CB TYR A 58 3.479 -7.454 13.237 1.00 0.26 C ATOM 355 CG TYR A 58 2.040 -6.988 13.132 1.00 0.40 C ATOM 356 CD1 TYR A 58 1.735 -5.636 13.029 1.00 1.07 C ATOM 357 CD2 TYR A 58 0.987 -7.897 13.128 1.00 1.04 C ATOM 358 CE1 TYR A 58 0.428 -5.202 12.921 1.00 1.17 C ATOM 359 CE2 TYR A 58 -0.326 -7.470 13.023 1.00 1.17 C ATOM 360 CZ TYR A 58 -0.598 -6.122 12.916 1.00 0.83 C ATOM 361 OH TYR A 58 -1.901 -5.687 12.805 1.00 1.05 O ATOM 0 H TYR A 58 3.536 -7.517 10.716 1.00 0.19 H new ATOM 0 HA TYR A 58 4.392 -5.588 12.692 1.00 0.22 H new ATOM 0 HB2 TYR A 58 3.537 -8.500 12.935 1.00 0.26 H new ATOM 0 HB3 TYR A 58 3.793 -7.406 14.280 1.00 0.26 H new ATOM 0 HD1 TYR A 58 2.535 -4.911 13.033 1.00 1.07 H new ATOM 0 HD2 TYR A 58 1.197 -8.953 13.208 1.00 1.04 H new ATOM 0 HE1 TYR A 58 0.211 -4.147 12.841 1.00 1.17 H new ATOM 0 HE2 TYR A 58 -1.132 -8.188 13.025 1.00 1.17 H new ATOM 0 HH TYR A 58 -2.018 -5.220 11.951 1.00 1.05 H new ATOM 371 N THR A 59 6.489 -7.714 11.594 1.00 0.25 N ATOM 372 CA THR A 59 7.878 -8.144 11.690 1.00 0.29 C ATOM 373 C THR A 59 8.833 -7.040 11.238 1.00 0.29 C ATOM 374 O THR A 59 10.049 -7.154 11.401 1.00 0.36 O ATOM 375 CB THR A 59 8.144 -9.418 10.866 1.00 0.35 C ATOM 376 OG1 THR A 59 7.533 -9.306 9.578 1.00 0.44 O ATOM 377 CG2 THR A 59 7.607 -10.651 11.570 1.00 0.38 C ATOM 0 H THR A 59 6.037 -7.928 10.705 1.00 0.25 H new ATOM 0 HA THR A 59 8.060 -8.367 12.741 1.00 0.29 H new ATOM 0 HB THR A 59 9.223 -9.523 10.755 1.00 0.35 H new ATOM 0 HG1 THR A 59 6.697 -9.817 9.567 1.00 0.44 H new ATOM 0 HG21 THR A 59 7.810 -11.534 10.964 1.00 0.38 H new ATOM 0 HG22 THR A 59 8.093 -10.757 12.540 1.00 0.38 H new ATOM 0 HG23 THR A 59 6.531 -10.549 11.713 1.00 0.38 H new ATOM 385 N LEU A 60 8.282 -5.967 10.675 1.00 0.26 N ATOM 386 CA LEU A 60 9.094 -4.834 10.231 1.00 0.27 C ATOM 387 C LEU A 60 9.163 -3.757 11.307 1.00 0.30 C ATOM 388 O LEU A 60 9.682 -2.670 11.061 1.00 0.38 O ATOM 389 CB LEU A 60 8.537 -4.230 8.934 1.00 0.29 C ATOM 390 CG LEU A 60 8.697 -5.088 7.678 1.00 0.31 C ATOM 391 CD1 LEU A 60 8.246 -4.315 6.452 1.00 1.37 C ATOM 392 CD2 LEU A 60 10.139 -5.547 7.521 1.00 1.22 C ATOM 0 H LEU A 60 7.281 -5.857 10.515 1.00 0.26 H new ATOM 0 HA LEU A 60 10.100 -5.209 10.041 1.00 0.27 H new ATOM 0 HB2 LEU A 60 7.476 -4.024 9.078 1.00 0.29 H new ATOM 0 HB3 LEU A 60 9.027 -3.272 8.762 1.00 0.29 H new ATOM 0 HG LEU A 60 8.069 -5.973 7.781 1.00 0.31 H new ATOM 0 HD11 LEU A 60 8.365 -4.937 5.565 1.00 1.37 H new ATOM 0 HD12 LEU A 60 7.198 -4.037 6.562 1.00 1.37 H new ATOM 0 HD13 LEU A 60 8.851 -3.414 6.347 1.00 1.37 H new ATOM 0 HD21 LEU A 60 10.231 -6.156 6.622 1.00 1.22 H new ATOM 0 HD22 LEU A 60 10.791 -4.677 7.439 1.00 1.22 H new ATOM 0 HD23 LEU A 60 10.430 -6.137 8.390 1.00 1.22 H new ATOM 404 N SER A 61 8.667 -4.089 12.497 1.00 0.27 N ATOM 405 CA SER A 61 8.585 -3.149 13.615 1.00 0.30 C ATOM 406 C SER A 61 7.560 -2.049 13.328 1.00 0.28 C ATOM 407 O SER A 61 7.893 -0.993 12.788 1.00 0.36 O ATOM 408 CB SER A 61 9.953 -2.535 13.932 1.00 0.41 C ATOM 409 OG SER A 61 10.935 -3.546 14.120 1.00 1.24 O ATOM 0 H SER A 61 8.310 -5.019 12.715 1.00 0.27 H new ATOM 0 HA SER A 61 8.257 -3.709 14.491 1.00 0.30 H new ATOM 0 HB2 SER A 61 10.256 -1.875 13.119 1.00 0.41 H new ATOM 0 HB3 SER A 61 9.881 -1.922 14.830 1.00 0.41 H new ATOM 0 HG SER A 61 11.799 -3.129 14.319 1.00 1.24 H new ATOM 415 N PRO A 62 6.288 -2.299 13.666 1.00 0.24 N ATOM 416 CA PRO A 62 5.212 -1.342 13.437 1.00 0.29 C ATOM 417 C PRO A 62 5.213 -0.217 14.466 1.00 0.32 C ATOM 418 O PRO A 62 5.188 -0.466 15.674 1.00 0.47 O ATOM 419 CB PRO A 62 3.952 -2.196 13.573 1.00 0.35 C ATOM 420 CG PRO A 62 4.333 -3.290 14.511 1.00 0.33 C ATOM 421 CD PRO A 62 5.803 -3.538 14.302 1.00 0.23 C ATOM 0 HA PRO A 62 5.302 -0.842 12.473 1.00 0.29 H new ATOM 0 HB2 PRO A 62 3.119 -1.612 13.964 1.00 0.35 H new ATOM 0 HB3 PRO A 62 3.638 -2.594 12.608 1.00 0.35 H new ATOM 0 HG2 PRO A 62 4.130 -3.004 15.543 1.00 0.33 H new ATOM 0 HG3 PRO A 62 3.755 -4.192 14.311 1.00 0.33 H new ATOM 0 HD2 PRO A 62 6.314 -3.728 15.246 1.00 0.23 H new ATOM 0 HD3 PRO A 62 5.975 -4.406 13.666 1.00 0.23 H new ATOM 429 N VAL A 63 5.251 1.015 13.992 1.00 0.29 N ATOM 430 CA VAL A 63 5.201 2.173 14.866 1.00 0.36 C ATOM 431 C VAL A 63 3.927 2.970 14.614 1.00 0.37 C ATOM 432 O VAL A 63 3.671 3.423 13.499 1.00 0.38 O ATOM 433 CB VAL A 63 6.441 3.084 14.700 1.00 0.47 C ATOM 434 CG1 VAL A 63 7.671 2.414 15.295 1.00 1.02 C ATOM 435 CG2 VAL A 63 6.686 3.423 13.234 1.00 1.02 C ATOM 0 H VAL A 63 5.317 1.240 12.999 1.00 0.29 H new ATOM 0 HA VAL A 63 5.201 1.805 15.892 1.00 0.36 H new ATOM 0 HB VAL A 63 6.248 4.014 15.234 1.00 0.47 H new ATOM 0 HG11 VAL A 63 8.536 3.066 15.171 1.00 1.02 H new ATOM 0 HG12 VAL A 63 7.506 2.227 16.356 1.00 1.02 H new ATOM 0 HG13 VAL A 63 7.853 1.468 14.784 1.00 1.02 H new ATOM 0 HG21 VAL A 63 7.564 4.064 13.151 1.00 1.02 H new ATOM 0 HG22 VAL A 63 6.853 2.505 12.671 1.00 1.02 H new ATOM 0 HG23 VAL A 63 5.817 3.943 12.831 1.00 1.02 H new ATOM 445 N ASN A 64 3.106 3.091 15.655 1.00 0.44 N ATOM 446 CA ASN A 64 1.828 3.812 15.579 1.00 0.52 C ATOM 447 C ASN A 64 0.870 3.115 14.614 1.00 0.44 C ATOM 448 O ASN A 64 -0.080 3.721 14.119 1.00 0.50 O ATOM 449 CB ASN A 64 2.039 5.266 15.131 1.00 0.64 C ATOM 450 CG ASN A 64 2.999 6.035 16.021 1.00 0.84 C ATOM 451 OD1 ASN A 64 3.106 5.781 17.220 1.00 1.34 O ATOM 452 ND2 ASN A 64 3.717 6.976 15.430 1.00 1.31 N ATOM 0 H ASN A 64 3.303 2.695 16.574 1.00 0.44 H new ATOM 0 HA ASN A 64 1.392 3.812 16.578 1.00 0.52 H new ATOM 0 HB2 ASN A 64 2.418 5.273 14.109 1.00 0.64 H new ATOM 0 HB3 ASN A 64 1.077 5.778 15.118 1.00 0.64 H new ATOM 0 HD21 ASN A 64 4.388 7.521 15.971 1.00 1.31 H new ATOM 0 HD22 ASN A 64 3.599 7.157 14.433 1.00 1.31 H new ATOM 459 N GLY A 65 1.105 1.828 14.380 1.00 0.40 N ATOM 460 CA GLY A 65 0.279 1.074 13.453 1.00 0.43 C ATOM 461 C GLY A 65 0.673 1.301 12.003 1.00 0.33 C ATOM 462 O GLY A 65 -0.084 0.984 11.086 1.00 0.35 O ATOM 0 H GLY A 65 1.855 1.292 14.817 1.00 0.40 H new ATOM 0 HA2 GLY A 65 0.356 0.012 13.685 1.00 0.43 H new ATOM 0 HA3 GLY A 65 -0.765 1.355 13.590 1.00 0.43 H new ATOM 466 N LYS A 66 1.858 1.855 11.805 1.00 0.28 N ATOM 467 CA LYS A 66 2.380 2.133 10.476 1.00 0.26 C ATOM 468 C LYS A 66 3.851 1.746 10.410 1.00 0.23 C ATOM 469 O LYS A 66 4.505 1.591 11.440 1.00 0.27 O ATOM 470 CB LYS A 66 2.216 3.624 10.123 1.00 0.34 C ATOM 471 CG LYS A 66 0.769 4.093 10.052 1.00 0.64 C ATOM 472 CD LYS A 66 0.653 5.506 9.503 1.00 0.75 C ATOM 473 CE LYS A 66 -0.783 5.817 9.097 1.00 1.05 C ATOM 474 NZ LYS A 66 -0.919 7.173 8.506 1.00 1.48 N ATOM 0 H LYS A 66 2.486 2.125 12.562 1.00 0.28 H new ATOM 0 HA LYS A 66 1.815 1.544 9.753 1.00 0.26 H new ATOM 0 HB2 LYS A 66 2.744 4.222 10.866 1.00 0.34 H new ATOM 0 HB3 LYS A 66 2.695 3.813 9.162 1.00 0.34 H new ATOM 0 HG2 LYS A 66 0.198 3.411 9.422 1.00 0.64 H new ATOM 0 HG3 LYS A 66 0.326 4.054 11.047 1.00 0.64 H new ATOM 0 HD2 LYS A 66 0.985 6.221 10.256 1.00 0.75 H new ATOM 0 HD3 LYS A 66 1.311 5.621 8.642 1.00 0.75 H new ATOM 0 HE2 LYS A 66 -1.124 5.073 8.377 1.00 1.05 H new ATOM 0 HE3 LYS A 66 -1.431 5.737 9.970 1.00 1.05 H new ATOM 0 HZ1 LYS A 66 -1.470 7.778 9.148 1.00 1.48 H new ATOM 0 HZ2 LYS A 66 0.025 7.587 8.365 1.00 1.48 H new ATOM 0 HZ3 LYS A 66 -1.407 7.105 7.590 1.00 1.48 H new ATOM 488 N ILE A 67 4.358 1.553 9.206 1.00 0.25 N ATOM 489 CA ILE A 67 5.780 1.343 9.003 1.00 0.27 C ATOM 490 C ILE A 67 6.343 2.438 8.109 1.00 0.26 C ATOM 491 O ILE A 67 5.603 3.089 7.361 1.00 0.29 O ATOM 492 CB ILE A 67 6.103 -0.064 8.427 1.00 0.30 C ATOM 493 CG1 ILE A 67 5.269 -0.384 7.176 1.00 0.28 C ATOM 494 CG2 ILE A 67 5.900 -1.134 9.496 1.00 0.33 C ATOM 495 CD1 ILE A 67 5.840 0.174 5.889 1.00 0.64 C ATOM 0 H ILE A 67 3.803 1.537 8.350 1.00 0.25 H new ATOM 0 HA ILE A 67 6.260 1.392 9.980 1.00 0.27 H new ATOM 0 HB ILE A 67 7.150 -0.059 8.122 1.00 0.30 H new ATOM 0 HG12 ILE A 67 5.178 -1.466 7.081 1.00 0.28 H new ATOM 0 HG13 ILE A 67 4.262 0.010 7.314 1.00 0.28 H new ATOM 0 HG21 ILE A 67 6.130 -2.114 9.078 1.00 0.33 H new ATOM 0 HG22 ILE A 67 6.561 -0.935 10.340 1.00 0.33 H new ATOM 0 HG23 ILE A 67 4.864 -1.118 9.835 1.00 0.33 H new ATOM 0 HD11 ILE A 67 5.192 -0.097 5.056 1.00 0.64 H new ATOM 0 HD12 ILE A 67 5.905 1.260 5.960 1.00 0.64 H new ATOM 0 HD13 ILE A 67 6.835 -0.239 5.723 1.00 0.64 H new ATOM 507 N THR A 68 7.645 2.648 8.193 1.00 0.32 N ATOM 508 CA THR A 68 8.282 3.738 7.481 1.00 0.36 C ATOM 509 C THR A 68 8.720 3.296 6.089 1.00 0.33 C ATOM 510 O THR A 68 8.645 2.110 5.749 1.00 0.33 O ATOM 511 CB THR A 68 9.507 4.273 8.253 1.00 0.45 C ATOM 512 OG1 THR A 68 10.521 3.263 8.334 1.00 0.55 O ATOM 513 CG2 THR A 68 9.110 4.712 9.657 1.00 0.50 C ATOM 0 H THR A 68 8.281 2.076 8.749 1.00 0.32 H new ATOM 0 HA THR A 68 7.546 4.536 7.391 1.00 0.36 H new ATOM 0 HB THR A 68 9.899 5.135 7.713 1.00 0.45 H new ATOM 0 HG1 THR A 68 10.140 2.396 8.082 1.00 0.55 H new ATOM 0 HG21 THR A 68 9.988 5.086 10.183 1.00 0.50 H new ATOM 0 HG22 THR A 68 8.362 5.502 9.593 1.00 0.50 H new ATOM 0 HG23 THR A 68 8.695 3.863 10.200 1.00 0.50 H new ATOM 521 N GLY A 69 9.188 4.250 5.293 1.00 0.37 N ATOM 522 CA GLY A 69 9.692 3.934 3.976 1.00 0.41 C ATOM 523 C GLY A 69 10.927 3.061 4.036 1.00 0.35 C ATOM 524 O GLY A 69 11.273 2.409 3.059 1.00 0.37 O ATOM 0 H GLY A 69 9.226 5.239 5.540 1.00 0.37 H new ATOM 0 HA2 GLY A 69 8.916 3.426 3.403 1.00 0.41 H new ATOM 0 HA3 GLY A 69 9.926 4.857 3.446 1.00 0.41 H new ATOM 528 N ALA A 70 11.584 3.045 5.193 1.00 0.33 N ATOM 529 CA ALA A 70 12.777 2.232 5.393 1.00 0.33 C ATOM 530 C ALA A 70 12.444 0.747 5.347 1.00 0.31 C ATOM 531 O ALA A 70 13.119 -0.038 4.677 1.00 0.34 O ATOM 532 CB ALA A 70 13.436 2.585 6.716 1.00 0.38 C ATOM 0 H ALA A 70 11.307 3.590 6.010 1.00 0.33 H new ATOM 0 HA ALA A 70 13.473 2.446 4.582 1.00 0.33 H new ATOM 0 HB1 ALA A 70 14.326 1.971 6.854 1.00 0.38 H new ATOM 0 HB2 ALA A 70 13.718 3.638 6.712 1.00 0.38 H new ATOM 0 HB3 ALA A 70 12.737 2.400 7.532 1.00 0.38 H new ATOM 538 N ASN A 71 11.383 0.376 6.045 1.00 0.33 N ATOM 539 CA ASN A 71 11.005 -1.025 6.179 1.00 0.36 C ATOM 540 C ASN A 71 10.322 -1.505 4.912 1.00 0.32 C ATOM 541 O ASN A 71 10.582 -2.613 4.430 1.00 0.32 O ATOM 542 CB ASN A 71 10.090 -1.215 7.391 1.00 0.46 C ATOM 543 CG ASN A 71 10.456 -0.279 8.524 1.00 0.76 C ATOM 544 OD1 ASN A 71 9.814 0.755 8.722 1.00 1.81 O ATOM 545 ND2 ASN A 71 11.521 -0.601 9.238 1.00 0.61 N ATOM 0 H ASN A 71 10.765 1.027 6.530 1.00 0.33 H new ATOM 0 HA ASN A 71 11.905 -1.620 6.333 1.00 0.36 H new ATOM 0 HB2 ASN A 71 9.055 -1.041 7.096 1.00 0.46 H new ATOM 0 HB3 ASN A 71 10.154 -2.247 7.737 1.00 0.46 H new ATOM 0 HD21 ASN A 71 11.840 0.016 9.985 1.00 0.61 H new ATOM 0 HD22 ASN A 71 12.024 -1.466 9.042 1.00 0.61 H new ATOM 552 N ALA A 72 9.466 -0.655 4.358 1.00 0.32 N ATOM 553 CA ALA A 72 8.793 -0.970 3.111 1.00 0.33 C ATOM 554 C ALA A 72 9.808 -1.124 1.989 1.00 0.30 C ATOM 555 O ALA A 72 9.716 -2.054 1.189 1.00 0.32 O ATOM 556 CB ALA A 72 7.778 0.106 2.766 1.00 0.39 C ATOM 0 H ALA A 72 9.224 0.254 4.753 1.00 0.32 H new ATOM 0 HA ALA A 72 8.263 -1.915 3.232 1.00 0.33 H new ATOM 0 HB1 ALA A 72 7.284 -0.147 1.828 1.00 0.39 H new ATOM 0 HB2 ALA A 72 7.035 0.174 3.561 1.00 0.39 H new ATOM 0 HB3 ALA A 72 8.286 1.065 2.661 1.00 0.39 H new ATOM 562 N LYS A 73 10.782 -0.213 1.945 1.00 0.29 N ATOM 563 CA LYS A 73 11.862 -0.289 0.970 1.00 0.30 C ATOM 564 C LYS A 73 12.579 -1.619 1.098 1.00 0.26 C ATOM 565 O LYS A 73 12.811 -2.299 0.101 1.00 0.27 O ATOM 566 CB LYS A 73 12.861 0.854 1.174 1.00 0.36 C ATOM 567 CG LYS A 73 14.055 0.821 0.222 1.00 0.47 C ATOM 568 CD LYS A 73 15.096 1.866 0.597 1.00 0.67 C ATOM 569 CE LYS A 73 14.670 3.281 0.228 1.00 0.84 C ATOM 570 NZ LYS A 73 14.834 3.554 -1.229 1.00 0.76 N ATOM 0 H LYS A 73 10.841 0.586 2.576 1.00 0.29 H new ATOM 0 HA LYS A 73 11.430 -0.201 -0.027 1.00 0.30 H new ATOM 0 HB2 LYS A 73 12.339 1.803 1.052 1.00 0.36 H new ATOM 0 HB3 LYS A 73 13.228 0.822 2.200 1.00 0.36 H new ATOM 0 HG2 LYS A 73 14.509 -0.170 0.241 1.00 0.47 H new ATOM 0 HG3 LYS A 73 13.713 0.996 -0.798 1.00 0.47 H new ATOM 0 HD2 LYS A 73 15.285 1.816 1.669 1.00 0.67 H new ATOM 0 HD3 LYS A 73 16.036 1.632 0.097 1.00 0.67 H new ATOM 0 HE2 LYS A 73 13.628 3.430 0.509 1.00 0.84 H new ATOM 0 HE3 LYS A 73 15.260 3.997 0.799 1.00 0.84 H new ATOM 0 HZ1 LYS A 73 14.203 4.331 -1.510 1.00 0.76 H new ATOM 0 HZ2 LYS A 73 15.820 3.821 -1.423 1.00 0.76 H new ATOM 0 HZ3 LYS A 73 14.594 2.700 -1.771 1.00 0.76 H new ATOM 584 N LYS A 74 12.903 -1.982 2.335 1.00 0.26 N ATOM 585 CA LYS A 74 13.611 -3.215 2.626 1.00 0.29 C ATOM 586 C LYS A 74 12.915 -4.415 1.989 1.00 0.29 C ATOM 587 O LYS A 74 13.548 -5.203 1.291 1.00 0.35 O ATOM 588 CB LYS A 74 13.699 -3.403 4.138 1.00 0.34 C ATOM 589 CG LYS A 74 14.780 -4.368 4.579 1.00 1.03 C ATOM 590 CD LYS A 74 14.844 -4.461 6.091 1.00 1.05 C ATOM 591 CE LYS A 74 16.155 -5.067 6.550 1.00 1.63 C ATOM 592 NZ LYS A 74 16.341 -6.457 6.059 1.00 1.95 N ATOM 0 H LYS A 74 12.680 -1.427 3.161 1.00 0.26 H new ATOM 0 HA LYS A 74 14.614 -3.147 2.204 1.00 0.29 H new ATOM 0 HB2 LYS A 74 13.879 -2.434 4.604 1.00 0.34 H new ATOM 0 HB3 LYS A 74 12.737 -3.759 4.506 1.00 0.34 H new ATOM 0 HG2 LYS A 74 14.585 -5.355 4.159 1.00 1.03 H new ATOM 0 HG3 LYS A 74 15.744 -4.041 4.190 1.00 1.03 H new ATOM 0 HD2 LYS A 74 14.729 -3.467 6.524 1.00 1.05 H new ATOM 0 HD3 LYS A 74 14.014 -5.066 6.456 1.00 1.05 H new ATOM 0 HE2 LYS A 74 16.981 -4.448 6.199 1.00 1.63 H new ATOM 0 HE3 LYS A 74 16.193 -5.062 7.639 1.00 1.63 H new ATOM 0 HZ1 LYS A 74 17.201 -6.862 6.481 1.00 1.95 H new ATOM 0 HZ2 LYS A 74 15.518 -7.033 6.328 1.00 1.95 H new ATOM 0 HZ3 LYS A 74 16.435 -6.450 5.023 1.00 1.95 H new ATOM 606 N GLU A 75 11.613 -4.541 2.213 1.00 0.31 N ATOM 607 CA GLU A 75 10.866 -5.680 1.677 1.00 0.35 C ATOM 608 C GLU A 75 10.719 -5.578 0.159 1.00 0.32 C ATOM 609 O GLU A 75 10.905 -6.561 -0.560 1.00 0.35 O ATOM 610 CB GLU A 75 9.481 -5.782 2.325 1.00 0.41 C ATOM 611 CG GLU A 75 8.686 -7.002 1.873 1.00 0.59 C ATOM 612 CD GLU A 75 9.378 -8.311 2.222 1.00 0.93 C ATOM 613 OE1 GLU A 75 9.397 -8.685 3.413 1.00 1.09 O ATOM 614 OE2 GLU A 75 9.921 -8.965 1.307 1.00 1.60 O ATOM 0 H GLU A 75 11.055 -3.880 2.754 1.00 0.31 H new ATOM 0 HA GLU A 75 11.433 -6.581 1.913 1.00 0.35 H new ATOM 0 HB2 GLU A 75 9.597 -5.815 3.408 1.00 0.41 H new ATOM 0 HB3 GLU A 75 8.913 -4.881 2.093 1.00 0.41 H new ATOM 0 HG2 GLU A 75 7.700 -6.981 2.337 1.00 0.59 H new ATOM 0 HG3 GLU A 75 8.532 -6.952 0.795 1.00 0.59 H new ATOM 621 N MET A 76 10.405 -4.385 -0.332 1.00 0.29 N ATOM 622 CA MET A 76 10.149 -4.190 -1.755 1.00 0.30 C ATOM 623 C MET A 76 11.399 -4.464 -2.597 1.00 0.30 C ATOM 624 O MET A 76 11.308 -5.042 -3.684 1.00 0.38 O ATOM 625 CB MET A 76 9.630 -2.778 -2.017 1.00 0.39 C ATOM 626 CG MET A 76 8.230 -2.530 -1.476 1.00 0.56 C ATOM 627 SD MET A 76 7.595 -0.904 -1.915 1.00 1.04 S ATOM 628 CE MET A 76 6.055 -0.890 -1.005 1.00 1.24 C ATOM 0 H MET A 76 10.322 -3.539 0.232 1.00 0.29 H new ATOM 0 HA MET A 76 9.385 -4.908 -2.053 1.00 0.30 H new ATOM 0 HB2 MET A 76 10.316 -2.059 -1.568 1.00 0.39 H new ATOM 0 HB3 MET A 76 9.633 -2.593 -3.091 1.00 0.39 H new ATOM 0 HG2 MET A 76 7.555 -3.295 -1.860 1.00 0.56 H new ATOM 0 HG3 MET A 76 8.241 -2.631 -0.391 1.00 0.56 H new ATOM 0 HE1 MET A 76 5.736 0.140 -0.845 1.00 1.24 H new ATOM 0 HE2 MET A 76 5.292 -1.422 -1.573 1.00 1.24 H new ATOM 0 HE3 MET A 76 6.197 -1.380 -0.042 1.00 1.24 H new ATOM 638 N VAL A 77 12.567 -4.061 -2.101 1.00 0.29 N ATOM 639 CA VAL A 77 13.808 -4.333 -2.806 1.00 0.35 C ATOM 640 C VAL A 77 14.219 -5.794 -2.628 1.00 0.33 C ATOM 641 O VAL A 77 14.871 -6.374 -3.496 1.00 0.37 O ATOM 642 CB VAL A 77 14.955 -3.405 -2.352 1.00 0.51 C ATOM 643 CG1 VAL A 77 14.594 -1.948 -2.602 1.00 1.57 C ATOM 644 CG2 VAL A 77 15.317 -3.627 -0.889 1.00 1.14 C ATOM 0 H VAL A 77 12.676 -3.551 -1.224 1.00 0.29 H new ATOM 0 HA VAL A 77 13.622 -4.135 -3.862 1.00 0.35 H new ATOM 0 HB VAL A 77 15.834 -3.654 -2.946 1.00 0.51 H new ATOM 0 HG11 VAL A 77 15.414 -1.309 -2.276 1.00 1.57 H new ATOM 0 HG12 VAL A 77 14.416 -1.795 -3.666 1.00 1.57 H new ATOM 0 HG13 VAL A 77 13.693 -1.695 -2.043 1.00 1.57 H new ATOM 0 HG21 VAL A 77 16.128 -2.955 -0.609 1.00 1.14 H new ATOM 0 HG22 VAL A 77 14.447 -3.426 -0.264 1.00 1.14 H new ATOM 0 HG23 VAL A 77 15.636 -4.660 -0.746 1.00 1.14 H new ATOM 654 N LYS A 78 13.821 -6.384 -1.500 1.00 0.36 N ATOM 655 CA LYS A 78 14.021 -7.811 -1.256 1.00 0.45 C ATOM 656 C LYS A 78 13.213 -8.646 -2.244 1.00 0.42 C ATOM 657 O LYS A 78 13.568 -9.788 -2.547 1.00 0.47 O ATOM 658 CB LYS A 78 13.619 -8.171 0.179 1.00 0.61 C ATOM 659 CG LYS A 78 14.742 -7.992 1.188 1.00 0.71 C ATOM 660 CD LYS A 78 15.862 -8.983 0.935 1.00 1.25 C ATOM 661 CE LYS A 78 15.358 -10.409 1.055 1.00 1.79 C ATOM 662 NZ LYS A 78 16.363 -11.397 0.576 1.00 2.79 N ATOM 0 H LYS A 78 13.356 -5.891 -0.738 1.00 0.36 H new ATOM 0 HA LYS A 78 15.079 -8.032 -1.394 1.00 0.45 H new ATOM 0 HB2 LYS A 78 12.772 -7.552 0.476 1.00 0.61 H new ATOM 0 HB3 LYS A 78 13.281 -9.207 0.204 1.00 0.61 H new ATOM 0 HG2 LYS A 78 15.131 -6.975 1.129 1.00 0.71 H new ATOM 0 HG3 LYS A 78 14.354 -8.126 2.198 1.00 0.71 H new ATOM 0 HD2 LYS A 78 16.278 -8.822 -0.060 1.00 1.25 H new ATOM 0 HD3 LYS A 78 16.669 -8.817 1.649 1.00 1.25 H new ATOM 0 HE2 LYS A 78 15.110 -10.620 2.095 1.00 1.79 H new ATOM 0 HE3 LYS A 78 14.439 -10.518 0.479 1.00 1.79 H new ATOM 0 HZ1 LYS A 78 15.979 -12.358 0.675 1.00 2.79 H new ATOM 0 HZ2 LYS A 78 16.582 -11.213 -0.424 1.00 2.79 H new ATOM 0 HZ3 LYS A 78 17.231 -11.311 1.142 1.00 2.79 H new ATOM 676 N SER A 79 12.131 -8.057 -2.743 1.00 0.40 N ATOM 677 CA SER A 79 11.285 -8.705 -3.731 1.00 0.43 C ATOM 678 C SER A 79 11.958 -8.691 -5.105 1.00 0.38 C ATOM 679 O SER A 79 11.486 -9.337 -6.043 1.00 0.44 O ATOM 680 CB SER A 79 9.925 -7.999 -3.790 1.00 0.54 C ATOM 681 OG SER A 79 9.325 -7.936 -2.503 1.00 1.27 O ATOM 0 H SER A 79 11.820 -7.123 -2.474 1.00 0.40 H new ATOM 0 HA SER A 79 11.132 -9.744 -3.440 1.00 0.43 H new ATOM 0 HB2 SER A 79 10.052 -6.991 -4.185 1.00 0.54 H new ATOM 0 HB3 SER A 79 9.266 -8.530 -4.477 1.00 0.54 H new ATOM 0 HG SER A 79 9.888 -7.401 -1.906 1.00 1.27 H new ATOM 687 N LYS A 80 13.071 -7.952 -5.204 1.00 0.39 N ATOM 688 CA LYS A 80 13.863 -7.878 -6.431 1.00 0.42 C ATOM 689 C LYS A 80 13.051 -7.278 -7.574 1.00 0.35 C ATOM 690 O LYS A 80 13.118 -7.742 -8.716 1.00 0.45 O ATOM 691 CB LYS A 80 14.388 -9.268 -6.802 1.00 0.54 C ATOM 692 CG LYS A 80 15.328 -9.855 -5.760 1.00 0.85 C ATOM 693 CD LYS A 80 15.674 -11.302 -6.070 1.00 1.32 C ATOM 694 CE LYS A 80 16.268 -11.451 -7.462 1.00 2.10 C ATOM 695 NZ LYS A 80 16.570 -12.868 -7.790 1.00 2.97 N ATOM 0 H LYS A 80 13.443 -7.392 -4.437 1.00 0.39 H new ATOM 0 HA LYS A 80 14.714 -7.221 -6.253 1.00 0.42 H new ATOM 0 HB2 LYS A 80 13.543 -9.943 -6.940 1.00 0.54 H new ATOM 0 HB3 LYS A 80 14.908 -9.209 -7.758 1.00 0.54 H new ATOM 0 HG2 LYS A 80 16.242 -9.263 -5.719 1.00 0.85 H new ATOM 0 HG3 LYS A 80 14.864 -9.794 -4.775 1.00 0.85 H new ATOM 0 HD2 LYS A 80 16.383 -11.674 -5.330 1.00 1.32 H new ATOM 0 HD3 LYS A 80 14.777 -11.916 -5.989 1.00 1.32 H new ATOM 0 HE2 LYS A 80 15.572 -11.049 -8.198 1.00 2.10 H new ATOM 0 HE3 LYS A 80 17.181 -10.860 -7.531 1.00 2.10 H new ATOM 0 HZ1 LYS A 80 16.973 -12.925 -8.747 1.00 2.97 H new ATOM 0 HZ2 LYS A 80 17.254 -13.245 -7.103 1.00 2.97 H new ATOM 0 HZ3 LYS A 80 15.695 -13.428 -7.749 1.00 2.97 H new ATOM 709 N LEU A 81 12.308 -6.227 -7.261 1.00 0.31 N ATOM 710 CA LEU A 81 11.506 -5.523 -8.251 1.00 0.30 C ATOM 711 C LEU A 81 12.235 -4.251 -8.699 1.00 0.30 C ATOM 712 O LEU A 81 13.236 -3.868 -8.092 1.00 0.41 O ATOM 713 CB LEU A 81 10.134 -5.188 -7.658 1.00 0.37 C ATOM 714 CG LEU A 81 9.276 -6.394 -7.285 1.00 0.42 C ATOM 715 CD1 LEU A 81 7.984 -5.943 -6.636 1.00 0.52 C ATOM 716 CD2 LEU A 81 8.976 -7.246 -8.509 1.00 0.47 C ATOM 0 H LEU A 81 12.244 -5.840 -6.320 1.00 0.31 H new ATOM 0 HA LEU A 81 11.359 -6.159 -9.124 1.00 0.30 H new ATOM 0 HB2 LEU A 81 10.280 -4.577 -6.767 1.00 0.37 H new ATOM 0 HB3 LEU A 81 9.584 -4.579 -8.376 1.00 0.37 H new ATOM 0 HG LEU A 81 9.836 -7.000 -6.573 1.00 0.42 H new ATOM 0 HD11 LEU A 81 7.384 -6.815 -6.376 1.00 0.52 H new ATOM 0 HD12 LEU A 81 8.209 -5.375 -5.733 1.00 0.52 H new ATOM 0 HD13 LEU A 81 7.428 -5.314 -7.331 1.00 0.52 H new ATOM 0 HD21 LEU A 81 8.363 -8.099 -8.217 1.00 0.47 H new ATOM 0 HD22 LEU A 81 8.439 -6.648 -9.245 1.00 0.47 H new ATOM 0 HD23 LEU A 81 9.911 -7.602 -8.943 1.00 0.47 H new ATOM 728 N PRO A 82 11.758 -3.583 -9.768 1.00 0.28 N ATOM 729 CA PRO A 82 12.388 -2.375 -10.308 1.00 0.34 C ATOM 730 C PRO A 82 11.959 -1.110 -9.560 1.00 0.33 C ATOM 731 O PRO A 82 10.769 -0.875 -9.369 1.00 0.27 O ATOM 732 CB PRO A 82 11.896 -2.325 -11.763 1.00 0.43 C ATOM 733 CG PRO A 82 10.908 -3.444 -11.920 1.00 0.44 C ATOM 734 CD PRO A 82 10.570 -3.937 -10.539 1.00 0.37 C ATOM 0 HA PRO A 82 13.473 -2.411 -10.213 1.00 0.34 H new ATOM 0 HB2 PRO A 82 11.431 -1.364 -11.982 1.00 0.43 H new ATOM 0 HB3 PRO A 82 12.728 -2.442 -12.458 1.00 0.43 H new ATOM 0 HG2 PRO A 82 10.012 -3.097 -12.434 1.00 0.44 H new ATOM 0 HG3 PRO A 82 11.330 -4.248 -12.523 1.00 0.44 H new ATOM 0 HD2 PRO A 82 9.675 -3.456 -10.146 1.00 0.37 H new ATOM 0 HD3 PRO A 82 10.386 -5.011 -10.527 1.00 0.37 H new ATOM 742 N ASN A 83 12.937 -0.285 -9.189 1.00 0.44 N ATOM 743 CA ASN A 83 12.713 0.874 -8.310 1.00 0.49 C ATOM 744 C ASN A 83 11.559 1.774 -8.767 1.00 0.42 C ATOM 745 O ASN A 83 10.806 2.282 -7.939 1.00 0.41 O ATOM 746 CB ASN A 83 13.989 1.707 -8.181 1.00 0.64 C ATOM 747 CG ASN A 83 14.476 2.283 -9.498 1.00 1.05 C ATOM 748 OD1 ASN A 83 15.188 1.622 -10.254 1.00 1.85 O ATOM 749 ND2 ASN A 83 14.114 3.524 -9.777 1.00 1.79 N ATOM 0 H ASN A 83 13.907 -0.396 -9.486 1.00 0.44 H new ATOM 0 HA ASN A 83 12.433 0.462 -7.340 1.00 0.49 H new ATOM 0 HB2 ASN A 83 13.810 2.523 -7.481 1.00 0.64 H new ATOM 0 HB3 ASN A 83 14.776 1.086 -7.753 1.00 0.64 H new ATOM 0 HD21 ASN A 83 14.426 3.964 -10.643 1.00 1.79 H new ATOM 0 HD22 ASN A 83 13.523 4.041 -9.126 1.00 1.79 H new ATOM 756 N THR A 84 11.420 1.975 -10.069 1.00 0.43 N ATOM 757 CA THR A 84 10.358 2.819 -10.599 1.00 0.45 C ATOM 758 C THR A 84 8.983 2.202 -10.329 1.00 0.35 C ATOM 759 O THR A 84 8.014 2.912 -10.052 1.00 0.34 O ATOM 760 CB THR A 84 10.559 3.047 -12.106 1.00 0.59 C ATOM 761 OG1 THR A 84 11.852 3.623 -12.329 1.00 1.47 O ATOM 762 CG2 THR A 84 9.485 3.962 -12.680 1.00 1.27 C ATOM 0 H THR A 84 12.028 1.566 -10.778 1.00 0.43 H new ATOM 0 HA THR A 84 10.402 3.782 -10.091 1.00 0.45 H new ATOM 0 HB THR A 84 10.484 2.084 -12.611 1.00 0.59 H new ATOM 0 HG1 THR A 84 11.984 3.768 -13.289 1.00 1.47 H new ATOM 0 HG21 THR A 84 9.658 4.101 -13.747 1.00 1.27 H new ATOM 0 HG22 THR A 84 8.504 3.512 -12.527 1.00 1.27 H new ATOM 0 HG23 THR A 84 9.523 4.928 -12.177 1.00 1.27 H new ATOM 770 N VAL A 85 8.920 0.876 -10.361 1.00 0.32 N ATOM 771 CA VAL A 85 7.683 0.165 -10.090 1.00 0.32 C ATOM 772 C VAL A 85 7.341 0.270 -8.606 1.00 0.26 C ATOM 773 O VAL A 85 6.187 0.447 -8.244 1.00 0.31 O ATOM 774 CB VAL A 85 7.778 -1.315 -10.516 1.00 0.36 C ATOM 775 CG1 VAL A 85 6.516 -2.076 -10.139 1.00 0.44 C ATOM 776 CG2 VAL A 85 8.033 -1.418 -12.013 1.00 0.45 C ATOM 0 H VAL A 85 9.715 0.273 -10.573 1.00 0.32 H new ATOM 0 HA VAL A 85 6.889 0.627 -10.677 1.00 0.32 H new ATOM 0 HB VAL A 85 8.615 -1.768 -9.984 1.00 0.36 H new ATOM 0 HG11 VAL A 85 6.611 -3.116 -10.451 1.00 0.44 H new ATOM 0 HG12 VAL A 85 6.374 -2.033 -9.059 1.00 0.44 H new ATOM 0 HG13 VAL A 85 5.657 -1.625 -10.636 1.00 0.44 H new ATOM 0 HG21 VAL A 85 8.098 -2.468 -12.300 1.00 0.45 H new ATOM 0 HG22 VAL A 85 7.215 -0.944 -12.555 1.00 0.45 H new ATOM 0 HG23 VAL A 85 8.969 -0.917 -12.258 1.00 0.45 H new ATOM 786 N LEU A 86 8.360 0.171 -7.762 1.00 0.24 N ATOM 787 CA LEU A 86 8.215 0.412 -6.336 1.00 0.28 C ATOM 788 C LEU A 86 7.692 1.821 -6.070 1.00 0.24 C ATOM 789 O LEU A 86 6.920 2.039 -5.137 1.00 0.28 O ATOM 790 CB LEU A 86 9.559 0.211 -5.638 1.00 0.37 C ATOM 791 CG LEU A 86 9.973 -1.245 -5.418 1.00 0.51 C ATOM 792 CD1 LEU A 86 10.188 -1.980 -6.722 1.00 0.90 C ATOM 793 CD2 LEU A 86 11.226 -1.305 -4.560 1.00 0.82 C ATOM 0 H LEU A 86 9.307 -0.078 -8.048 1.00 0.24 H new ATOM 0 HA LEU A 86 7.491 -0.299 -5.938 1.00 0.28 H new ATOM 0 HB2 LEU A 86 10.332 0.706 -6.226 1.00 0.37 H new ATOM 0 HB3 LEU A 86 9.525 0.711 -4.670 1.00 0.37 H new ATOM 0 HG LEU A 86 9.156 -1.746 -4.899 1.00 0.51 H new ATOM 0 HD11 LEU A 86 10.481 -3.009 -6.515 1.00 0.90 H new ATOM 0 HD12 LEU A 86 9.264 -1.974 -7.300 1.00 0.90 H new ATOM 0 HD13 LEU A 86 10.975 -1.487 -7.292 1.00 0.90 H new ATOM 0 HD21 LEU A 86 11.514 -2.345 -4.408 1.00 0.82 H new ATOM 0 HD22 LEU A 86 12.036 -0.774 -5.061 1.00 0.82 H new ATOM 0 HD23 LEU A 86 11.029 -0.839 -3.595 1.00 0.82 H new ATOM 805 N GLY A 87 8.107 2.768 -6.906 1.00 0.23 N ATOM 806 CA GLY A 87 7.616 4.124 -6.790 1.00 0.26 C ATOM 807 C GLY A 87 6.138 4.194 -7.092 1.00 0.27 C ATOM 808 O GLY A 87 5.391 4.928 -6.443 1.00 0.32 O ATOM 0 H GLY A 87 8.775 2.617 -7.662 1.00 0.23 H new ATOM 0 HA2 GLY A 87 7.803 4.497 -5.783 1.00 0.26 H new ATOM 0 HA3 GLY A 87 8.162 4.772 -7.476 1.00 0.26 H new ATOM 812 N LYS A 88 5.728 3.414 -8.081 1.00 0.27 N ATOM 813 CA LYS A 88 4.323 3.270 -8.426 1.00 0.36 C ATOM 814 C LYS A 88 3.563 2.642 -7.263 1.00 0.33 C ATOM 815 O LYS A 88 2.536 3.159 -6.832 1.00 0.35 O ATOM 816 CB LYS A 88 4.177 2.385 -9.665 1.00 0.50 C ATOM 817 CG LYS A 88 4.930 2.894 -10.881 1.00 0.74 C ATOM 818 CD LYS A 88 4.235 4.079 -11.528 1.00 1.03 C ATOM 819 CE LYS A 88 5.010 4.572 -12.737 1.00 1.50 C ATOM 820 NZ LYS A 88 4.222 5.532 -13.552 1.00 1.89 N ATOM 0 H LYS A 88 6.358 2.865 -8.665 1.00 0.27 H new ATOM 0 HA LYS A 88 3.911 4.257 -8.636 1.00 0.36 H new ATOM 0 HB2 LYS A 88 4.530 1.382 -9.426 1.00 0.50 H new ATOM 0 HB3 LYS A 88 3.120 2.300 -9.915 1.00 0.50 H new ATOM 0 HG2 LYS A 88 5.939 3.182 -10.587 1.00 0.74 H new ATOM 0 HG3 LYS A 88 5.027 2.089 -11.610 1.00 0.74 H new ATOM 0 HD2 LYS A 88 3.227 3.794 -11.830 1.00 1.03 H new ATOM 0 HD3 LYS A 88 4.134 4.886 -10.803 1.00 1.03 H new ATOM 0 HE2 LYS A 88 5.932 5.050 -12.406 1.00 1.50 H new ATOM 0 HE3 LYS A 88 5.296 3.721 -13.355 1.00 1.50 H new ATOM 0 HZ1 LYS A 88 4.789 5.843 -14.367 1.00 1.89 H new ATOM 0 HZ2 LYS A 88 3.354 5.070 -13.890 1.00 1.89 H new ATOM 0 HZ3 LYS A 88 3.971 6.357 -12.970 1.00 1.89 H new ATOM 834 N ILE A 89 4.102 1.534 -6.750 1.00 0.34 N ATOM 835 CA ILE A 89 3.505 0.812 -5.629 1.00 0.38 C ATOM 836 C ILE A 89 3.292 1.744 -4.439 1.00 0.30 C ATOM 837 O ILE A 89 2.201 1.801 -3.879 1.00 0.31 O ATOM 838 CB ILE A 89 4.389 -0.378 -5.178 1.00 0.49 C ATOM 839 CG1 ILE A 89 4.586 -1.386 -6.320 1.00 0.59 C ATOM 840 CG2 ILE A 89 3.784 -1.069 -3.959 1.00 0.55 C ATOM 841 CD1 ILE A 89 3.318 -2.082 -6.766 1.00 0.71 C ATOM 0 H ILE A 89 4.963 1.114 -7.101 1.00 0.34 H new ATOM 0 HA ILE A 89 2.546 0.427 -5.976 1.00 0.38 H new ATOM 0 HB ILE A 89 5.366 0.019 -4.903 1.00 0.49 H new ATOM 0 HG12 ILE A 89 5.021 -0.868 -7.174 1.00 0.59 H new ATOM 0 HG13 ILE A 89 5.307 -2.139 -6.003 1.00 0.59 H new ATOM 0 HG21 ILE A 89 4.421 -1.901 -3.659 1.00 0.55 H new ATOM 0 HG22 ILE A 89 3.707 -0.357 -3.138 1.00 0.55 H new ATOM 0 HG23 ILE A 89 2.791 -1.443 -4.208 1.00 0.55 H new ATOM 0 HD11 ILE A 89 3.549 -2.775 -7.575 1.00 0.71 H new ATOM 0 HD12 ILE A 89 2.891 -2.632 -5.928 1.00 0.71 H new ATOM 0 HD13 ILE A 89 2.600 -1.341 -7.117 1.00 0.71 H new ATOM 853 N TRP A 90 4.335 2.481 -4.074 1.00 0.27 N ATOM 854 CA TRP A 90 4.265 3.387 -2.936 1.00 0.23 C ATOM 855 C TRP A 90 3.207 4.467 -3.148 1.00 0.26 C ATOM 856 O TRP A 90 2.349 4.680 -2.295 1.00 0.29 O ATOM 857 CB TRP A 90 5.626 4.042 -2.690 1.00 0.25 C ATOM 858 CG TRP A 90 5.632 4.970 -1.519 1.00 0.24 C ATOM 859 CD1 TRP A 90 5.339 6.303 -1.526 1.00 0.29 C ATOM 860 CD2 TRP A 90 5.936 4.636 -0.162 1.00 0.23 C ATOM 861 NE1 TRP A 90 5.442 6.817 -0.259 1.00 0.30 N ATOM 862 CE2 TRP A 90 5.805 5.813 0.597 1.00 0.26 C ATOM 863 CE3 TRP A 90 6.302 3.455 0.485 1.00 0.26 C ATOM 864 CZ2 TRP A 90 6.032 5.842 1.969 1.00 0.30 C ATOM 865 CZ3 TRP A 90 6.527 3.486 1.848 1.00 0.32 C ATOM 866 CH2 TRP A 90 6.392 4.671 2.575 1.00 0.33 C ATOM 0 H TRP A 90 5.237 2.468 -4.549 1.00 0.27 H new ATOM 0 HA TRP A 90 3.984 2.797 -2.063 1.00 0.23 H new ATOM 0 HB2 TRP A 90 6.373 3.264 -2.532 1.00 0.25 H new ATOM 0 HB3 TRP A 90 5.923 4.592 -3.583 1.00 0.25 H new ATOM 0 HD1 TRP A 90 5.065 6.871 -2.403 1.00 0.29 H new ATOM 0 HE1 TRP A 90 5.275 7.789 0.003 1.00 0.30 H new ATOM 0 HE3 TRP A 90 6.407 2.534 -0.069 1.00 0.26 H new ATOM 0 HZ2 TRP A 90 5.928 6.756 2.535 1.00 0.30 H new ATOM 0 HZ3 TRP A 90 6.812 2.579 2.360 1.00 0.32 H new ATOM 0 HH2 TRP A 90 6.576 4.662 3.639 1.00 0.33 H new ATOM 877 N LYS A 91 3.261 5.131 -4.297 1.00 0.30 N ATOM 878 CA LYS A 91 2.403 6.286 -4.544 1.00 0.41 C ATOM 879 C LYS A 91 0.954 5.858 -4.817 1.00 0.41 C ATOM 880 O LYS A 91 0.046 6.688 -4.866 1.00 0.47 O ATOM 881 CB LYS A 91 2.969 7.121 -5.697 1.00 0.58 C ATOM 882 CG LYS A 91 2.463 8.554 -5.716 1.00 0.90 C ATOM 883 CD LYS A 91 3.365 9.463 -6.544 1.00 1.49 C ATOM 884 CE LYS A 91 4.760 9.565 -5.942 1.00 2.16 C ATOM 885 NZ LYS A 91 5.602 10.595 -6.617 1.00 2.70 N ATOM 0 H LYS A 91 3.885 4.892 -5.068 1.00 0.30 H new ATOM 0 HA LYS A 91 2.387 6.905 -3.647 1.00 0.41 H new ATOM 0 HB2 LYS A 91 4.057 7.130 -5.629 1.00 0.58 H new ATOM 0 HB3 LYS A 91 2.713 6.641 -6.642 1.00 0.58 H new ATOM 0 HG2 LYS A 91 1.452 8.577 -6.123 1.00 0.90 H new ATOM 0 HG3 LYS A 91 2.404 8.932 -4.695 1.00 0.90 H new ATOM 0 HD2 LYS A 91 3.434 9.079 -7.562 1.00 1.49 H new ATOM 0 HD3 LYS A 91 2.922 10.457 -6.608 1.00 1.49 H new ATOM 0 HE2 LYS A 91 4.678 9.806 -4.882 1.00 2.16 H new ATOM 0 HE3 LYS A 91 5.253 8.595 -6.011 1.00 2.16 H new ATOM 0 HZ1 LYS A 91 6.528 10.185 -6.854 1.00 2.70 H new ATOM 0 HZ2 LYS A 91 5.131 10.912 -7.488 1.00 2.70 H new ATOM 0 HZ3 LYS A 91 5.735 11.406 -5.980 1.00 2.70 H new ATOM 899 N LEU A 92 0.749 4.559 -5.008 1.00 0.40 N ATOM 900 CA LEU A 92 -0.596 4.004 -5.120 1.00 0.47 C ATOM 901 C LEU A 92 -1.094 3.495 -3.770 1.00 0.46 C ATOM 902 O LEU A 92 -2.269 3.633 -3.443 1.00 0.61 O ATOM 903 CB LEU A 92 -0.632 2.865 -6.141 1.00 0.54 C ATOM 904 CG LEU A 92 -0.425 3.287 -7.596 1.00 0.97 C ATOM 905 CD1 LEU A 92 -0.313 2.064 -8.486 1.00 1.51 C ATOM 906 CD2 LEU A 92 -1.569 4.180 -8.062 1.00 1.66 C ATOM 0 H LEU A 92 1.497 3.870 -5.089 1.00 0.40 H new ATOM 0 HA LEU A 92 -1.253 4.805 -5.458 1.00 0.47 H new ATOM 0 HB2 LEU A 92 0.136 2.138 -5.878 1.00 0.54 H new ATOM 0 HB3 LEU A 92 -1.593 2.357 -6.060 1.00 0.54 H new ATOM 0 HG LEU A 92 0.503 3.854 -7.663 1.00 0.97 H new ATOM 0 HD11 LEU A 92 -0.166 2.378 -9.519 1.00 1.51 H new ATOM 0 HD12 LEU A 92 0.535 1.458 -8.167 1.00 1.51 H new ATOM 0 HD13 LEU A 92 -1.228 1.476 -8.412 1.00 1.51 H new ATOM 0 HD21 LEU A 92 -1.404 4.470 -9.100 1.00 1.66 H new ATOM 0 HD22 LEU A 92 -2.510 3.637 -7.982 1.00 1.66 H new ATOM 0 HD23 LEU A 92 -1.611 5.073 -7.438 1.00 1.66 H new ATOM 918 N ALA A 93 -0.187 2.910 -2.991 1.00 0.37 N ATOM 919 CA ALA A 93 -0.542 2.318 -1.706 1.00 0.42 C ATOM 920 C ALA A 93 -0.695 3.379 -0.627 1.00 0.38 C ATOM 921 O ALA A 93 -1.560 3.266 0.241 1.00 0.43 O ATOM 922 CB ALA A 93 0.493 1.280 -1.290 1.00 0.47 C ATOM 0 H ALA A 93 0.802 2.834 -3.229 1.00 0.37 H new ATOM 0 HA ALA A 93 -1.506 1.823 -1.825 1.00 0.42 H new ATOM 0 HB1 ALA A 93 0.211 0.850 -0.329 1.00 0.47 H new ATOM 0 HB2 ALA A 93 0.540 0.491 -2.041 1.00 0.47 H new ATOM 0 HB3 ALA A 93 1.470 1.755 -1.202 1.00 0.47 H new ATOM 928 N ASP A 94 0.143 4.406 -0.673 1.00 0.33 N ATOM 929 CA ASP A 94 0.041 5.497 0.284 1.00 0.35 C ATOM 930 C ASP A 94 -1.051 6.461 -0.158 1.00 0.32 C ATOM 931 O ASP A 94 -0.803 7.435 -0.873 1.00 0.37 O ATOM 932 CB ASP A 94 1.378 6.226 0.443 1.00 0.37 C ATOM 933 CG ASP A 94 1.397 7.166 1.639 1.00 0.45 C ATOM 934 OD1 ASP A 94 0.790 6.824 2.685 1.00 0.46 O ATOM 935 OD2 ASP A 94 2.032 8.236 1.556 1.00 0.79 O ATOM 0 H ASP A 94 0.894 4.506 -1.356 1.00 0.33 H new ATOM 0 HA ASP A 94 -0.220 5.082 1.258 1.00 0.35 H new ATOM 0 HB2 ASP A 94 2.177 5.492 0.551 1.00 0.37 H new ATOM 0 HB3 ASP A 94 1.587 6.794 -0.463 1.00 0.37 H new ATOM 940 N VAL A 95 -2.268 6.149 0.255 1.00 0.35 N ATOM 941 CA VAL A 95 -3.447 6.888 -0.159 1.00 0.42 C ATOM 942 C VAL A 95 -3.612 8.140 0.690 1.00 0.50 C ATOM 943 O VAL A 95 -4.120 9.164 0.223 1.00 0.61 O ATOM 944 CB VAL A 95 -4.718 6.013 -0.043 1.00 0.49 C ATOM 945 CG1 VAL A 95 -5.938 6.731 -0.609 1.00 0.59 C ATOM 946 CG2 VAL A 95 -4.514 4.676 -0.738 1.00 0.51 C ATOM 0 H VAL A 95 -2.466 5.374 0.888 1.00 0.35 H new ATOM 0 HA VAL A 95 -3.313 7.174 -1.202 1.00 0.42 H new ATOM 0 HB VAL A 95 -4.900 5.829 1.016 1.00 0.49 H new ATOM 0 HG11 VAL A 95 -6.814 6.090 -0.513 1.00 0.59 H new ATOM 0 HG12 VAL A 95 -6.103 7.657 -0.058 1.00 0.59 H new ATOM 0 HG13 VAL A 95 -5.770 6.960 -1.661 1.00 0.59 H new ATOM 0 HG21 VAL A 95 -5.419 4.076 -0.645 1.00 0.51 H new ATOM 0 HG22 VAL A 95 -4.297 4.844 -1.793 1.00 0.51 H new ATOM 0 HG23 VAL A 95 -3.680 4.149 -0.275 1.00 0.51 H new ATOM 956 N ASP A 96 -3.167 8.065 1.938 1.00 0.49 N ATOM 957 CA ASP A 96 -3.283 9.200 2.847 1.00 0.59 C ATOM 958 C ASP A 96 -2.094 10.135 2.692 1.00 0.53 C ATOM 959 O ASP A 96 -2.085 11.237 3.247 1.00 0.67 O ATOM 960 CB ASP A 96 -3.453 8.737 4.308 1.00 0.66 C ATOM 961 CG ASP A 96 -2.271 7.951 4.863 1.00 0.64 C ATOM 962 OD1 ASP A 96 -1.413 7.498 4.072 1.00 0.56 O ATOM 963 OD2 ASP A 96 -2.207 7.761 6.097 1.00 0.96 O ATOM 0 H ASP A 96 -2.726 7.239 2.342 1.00 0.49 H new ATOM 0 HA ASP A 96 -4.183 9.755 2.581 1.00 0.59 H new ATOM 0 HB2 ASP A 96 -3.618 9.612 4.936 1.00 0.66 H new ATOM 0 HB3 ASP A 96 -4.349 8.120 4.379 1.00 0.66 H new ATOM 968 N LYS A 97 -1.112 9.696 1.906 1.00 0.40 N ATOM 969 CA LYS A 97 0.025 10.534 1.536 1.00 0.43 C ATOM 970 C LYS A 97 0.784 11.006 2.770 1.00 0.37 C ATOM 971 O LYS A 97 1.161 12.176 2.877 1.00 0.54 O ATOM 972 CB LYS A 97 -0.455 11.742 0.730 1.00 0.65 C ATOM 973 CG LYS A 97 -1.143 11.379 -0.576 1.00 0.87 C ATOM 974 CD LYS A 97 -1.763 12.602 -1.221 1.00 1.21 C ATOM 975 CE LYS A 97 -2.215 12.325 -2.645 1.00 2.08 C ATOM 976 NZ LYS A 97 -2.740 13.551 -3.302 1.00 2.96 N ATOM 0 H LYS A 97 -1.083 8.756 1.511 1.00 0.40 H new ATOM 0 HA LYS A 97 0.701 9.936 0.926 1.00 0.43 H new ATOM 0 HB2 LYS A 97 -1.144 12.324 1.342 1.00 0.65 H new ATOM 0 HB3 LYS A 97 0.399 12.384 0.513 1.00 0.65 H new ATOM 0 HG2 LYS A 97 -0.422 10.930 -1.259 1.00 0.87 H new ATOM 0 HG3 LYS A 97 -1.914 10.631 -0.390 1.00 0.87 H new ATOM 0 HD2 LYS A 97 -2.615 12.932 -0.628 1.00 1.21 H new ATOM 0 HD3 LYS A 97 -1.040 13.418 -1.222 1.00 1.21 H new ATOM 0 HE2 LYS A 97 -1.378 11.932 -3.223 1.00 2.08 H new ATOM 0 HE3 LYS A 97 -2.987 11.556 -2.639 1.00 2.08 H new ATOM 0 HZ1 LYS A 97 -3.039 13.324 -4.272 1.00 2.96 H new ATOM 0 HZ2 LYS A 97 -3.554 13.912 -2.764 1.00 2.96 H new ATOM 0 HZ3 LYS A 97 -1.995 14.276 -3.330 1.00 2.96 H new ATOM 990 N ASP A 98 1.018 10.094 3.696 1.00 0.36 N ATOM 991 CA ASP A 98 1.654 10.452 4.951 1.00 0.37 C ATOM 992 C ASP A 98 3.090 9.945 5.000 1.00 0.36 C ATOM 993 O ASP A 98 3.754 10.031 6.037 1.00 0.41 O ATOM 994 CB ASP A 98 0.853 9.878 6.123 1.00 0.42 C ATOM 995 CG ASP A 98 1.029 8.379 6.291 1.00 0.35 C ATOM 996 OD1 ASP A 98 0.822 7.619 5.312 1.00 0.37 O ATOM 997 OD2 ASP A 98 1.344 7.952 7.416 1.00 0.43 O ATOM 0 H ASP A 98 0.779 9.107 3.604 1.00 0.36 H new ATOM 0 HA ASP A 98 1.675 11.539 5.027 1.00 0.37 H new ATOM 0 HB2 ASP A 98 1.157 10.378 7.042 1.00 0.42 H new ATOM 0 HB3 ASP A 98 -0.204 10.099 5.975 1.00 0.42 H new ATOM 1002 N GLY A 99 3.575 9.450 3.868 1.00 0.35 N ATOM 1003 CA GLY A 99 4.941 8.962 3.788 1.00 0.41 C ATOM 1004 C GLY A 99 5.159 7.708 4.616 1.00 0.41 C ATOM 1005 O GLY A 99 6.297 7.295 4.848 1.00 0.44 O ATOM 0 H GLY A 99 3.045 9.377 3.000 1.00 0.35 H new ATOM 0 HA2 GLY A 99 5.189 8.754 2.747 1.00 0.41 H new ATOM 0 HA3 GLY A 99 5.623 9.742 4.128 1.00 0.41 H new ATOM 1009 N LEU A 100 4.067 7.105 5.055 1.00 0.46 N ATOM 1010 CA LEU A 100 4.116 5.883 5.837 1.00 0.48 C ATOM 1011 C LEU A 100 3.067 4.918 5.317 1.00 0.38 C ATOM 1012 O LEU A 100 2.054 5.337 4.748 1.00 0.40 O ATOM 1013 CB LEU A 100 3.846 6.163 7.322 1.00 0.61 C ATOM 1014 CG LEU A 100 4.828 7.107 8.021 1.00 0.60 C ATOM 1015 CD1 LEU A 100 4.351 7.409 9.434 1.00 1.11 C ATOM 1016 CD2 LEU A 100 6.222 6.502 8.058 1.00 0.88 C ATOM 0 H LEU A 100 3.123 7.449 4.879 1.00 0.46 H new ATOM 0 HA LEU A 100 5.113 5.453 5.742 1.00 0.48 H new ATOM 0 HB2 LEU A 100 2.844 6.581 7.415 1.00 0.61 H new ATOM 0 HB3 LEU A 100 3.846 5.212 7.855 1.00 0.61 H new ATOM 0 HG LEU A 100 4.871 8.038 7.455 1.00 0.60 H new ATOM 0 HD11 LEU A 100 5.058 8.081 9.921 1.00 1.11 H new ATOM 0 HD12 LEU A 100 3.370 7.882 9.394 1.00 1.11 H new ATOM 0 HD13 LEU A 100 4.284 6.481 10.001 1.00 1.11 H new ATOM 0 HD21 LEU A 100 6.904 7.189 8.559 1.00 0.88 H new ATOM 0 HD22 LEU A 100 6.194 5.558 8.602 1.00 0.88 H new ATOM 0 HD23 LEU A 100 6.569 6.325 7.040 1.00 0.88 H new ATOM 1028 N LEU A 101 3.303 3.638 5.502 1.00 0.35 N ATOM 1029 CA LEU A 101 2.321 2.640 5.142 1.00 0.31 C ATOM 1030 C LEU A 101 1.757 2.020 6.403 1.00 0.34 C ATOM 1031 O LEU A 101 2.466 1.339 7.140 1.00 0.42 O ATOM 1032 CB LEU A 101 2.937 1.561 4.245 1.00 0.33 C ATOM 1033 CG LEU A 101 3.446 2.049 2.887 1.00 0.33 C ATOM 1034 CD1 LEU A 101 4.037 0.894 2.098 1.00 0.39 C ATOM 1035 CD2 LEU A 101 2.326 2.707 2.097 1.00 0.30 C ATOM 0 H LEU A 101 4.165 3.264 5.899 1.00 0.35 H new ATOM 0 HA LEU A 101 1.519 3.119 4.580 1.00 0.31 H new ATOM 0 HB2 LEU A 101 3.766 1.098 4.780 1.00 0.33 H new ATOM 0 HB3 LEU A 101 2.192 0.783 4.077 1.00 0.33 H new ATOM 0 HG LEU A 101 4.226 2.790 3.061 1.00 0.33 H new ATOM 0 HD11 LEU A 101 4.395 1.257 1.134 1.00 0.39 H new ATOM 0 HD12 LEU A 101 4.869 0.461 2.654 1.00 0.39 H new ATOM 0 HD13 LEU A 101 3.273 0.134 1.938 1.00 0.39 H new ATOM 0 HD21 LEU A 101 2.710 3.046 1.135 1.00 0.30 H new ATOM 0 HD22 LEU A 101 1.524 1.987 1.934 1.00 0.30 H new ATOM 0 HD23 LEU A 101 1.940 3.560 2.655 1.00 0.30 H new ATOM 1047 N ASP A 102 0.493 2.287 6.669 1.00 0.33 N ATOM 1048 CA ASP A 102 -0.166 1.721 7.836 1.00 0.39 C ATOM 1049 C ASP A 102 -0.505 0.262 7.604 1.00 0.24 C ATOM 1050 O ASP A 102 -0.137 -0.316 6.585 1.00 0.20 O ATOM 1051 CB ASP A 102 -1.429 2.505 8.225 1.00 0.57 C ATOM 1052 CG ASP A 102 -2.405 2.696 7.089 1.00 0.70 C ATOM 1053 OD1 ASP A 102 -2.917 1.695 6.556 1.00 1.72 O ATOM 1054 OD2 ASP A 102 -2.691 3.857 6.744 1.00 0.97 O ATOM 0 H ASP A 102 -0.099 2.890 6.097 1.00 0.33 H new ATOM 0 HA ASP A 102 0.535 1.796 8.667 1.00 0.39 H new ATOM 0 HB2 ASP A 102 -1.932 1.983 9.039 1.00 0.57 H new ATOM 0 HB3 ASP A 102 -1.135 3.483 8.606 1.00 0.57 H new ATOM 1059 N ASP A 103 -1.201 -0.320 8.560 1.00 0.26 N ATOM 1060 CA ASP A 103 -1.594 -1.720 8.501 1.00 0.29 C ATOM 1061 C ASP A 103 -2.361 -2.008 7.204 1.00 0.25 C ATOM 1062 O ASP A 103 -2.119 -3.017 6.531 1.00 0.28 O ATOM 1063 CB ASP A 103 -2.449 -2.023 9.737 1.00 0.45 C ATOM 1064 CG ASP A 103 -3.000 -3.435 9.774 1.00 0.68 C ATOM 1065 OD1 ASP A 103 -4.117 -3.653 9.253 1.00 1.17 O ATOM 1066 OD2 ASP A 103 -2.346 -4.321 10.358 1.00 1.60 O ATOM 0 H ASP A 103 -1.512 0.163 9.403 1.00 0.26 H new ATOM 0 HA ASP A 103 -0.715 -2.364 8.500 1.00 0.29 H new ATOM 0 HB2 ASP A 103 -1.849 -1.854 10.631 1.00 0.45 H new ATOM 0 HB3 ASP A 103 -3.280 -1.319 9.773 1.00 0.45 H new ATOM 1071 N GLU A 104 -3.226 -1.073 6.818 1.00 0.26 N ATOM 1072 CA GLU A 104 -4.013 -1.207 5.601 1.00 0.28 C ATOM 1073 C GLU A 104 -3.130 -0.987 4.373 1.00 0.23 C ATOM 1074 O GLU A 104 -3.082 -1.824 3.470 1.00 0.24 O ATOM 1075 CB GLU A 104 -5.165 -0.194 5.583 1.00 0.37 C ATOM 1076 CG GLU A 104 -5.990 -0.164 6.861 1.00 0.59 C ATOM 1077 CD GLU A 104 -7.106 0.865 6.816 1.00 1.07 C ATOM 1078 OE1 GLU A 104 -6.939 1.907 6.144 1.00 1.63 O ATOM 1079 OE2 GLU A 104 -8.156 0.632 7.454 1.00 1.66 O ATOM 0 H GLU A 104 -3.398 -0.211 7.336 1.00 0.26 H new ATOM 0 HA GLU A 104 -4.426 -2.215 5.577 1.00 0.28 H new ATOM 0 HB2 GLU A 104 -4.756 0.801 5.404 1.00 0.37 H new ATOM 0 HB3 GLU A 104 -5.823 -0.424 4.745 1.00 0.37 H new ATOM 0 HG2 GLU A 104 -6.419 -1.151 7.035 1.00 0.59 H new ATOM 0 HG3 GLU A 104 -5.336 0.053 7.706 1.00 0.59 H new ATOM 1086 N GLU A 105 -2.418 0.134 4.355 1.00 0.22 N ATOM 1087 CA GLU A 105 -1.639 0.525 3.182 1.00 0.24 C ATOM 1088 C GLU A 105 -0.530 -0.482 2.877 1.00 0.18 C ATOM 1089 O GLU A 105 -0.256 -0.777 1.713 1.00 0.18 O ATOM 1090 CB GLU A 105 -1.035 1.925 3.361 1.00 0.33 C ATOM 1091 CG GLU A 105 -2.063 3.001 3.673 1.00 0.33 C ATOM 1092 CD GLU A 105 -1.522 4.419 3.553 1.00 0.35 C ATOM 1093 OE1 GLU A 105 -0.579 4.794 4.293 1.00 0.37 O ATOM 1094 OE2 GLU A 105 -2.049 5.184 2.727 1.00 0.44 O ATOM 0 H GLU A 105 -2.363 0.788 5.136 1.00 0.22 H new ATOM 0 HA GLU A 105 -2.327 0.542 2.337 1.00 0.24 H new ATOM 0 HB2 GLU A 105 -0.300 1.893 4.165 1.00 0.33 H new ATOM 0 HB3 GLU A 105 -0.500 2.199 2.451 1.00 0.33 H new ATOM 0 HG2 GLU A 105 -2.911 2.887 2.998 1.00 0.33 H new ATOM 0 HG3 GLU A 105 -2.438 2.849 4.685 1.00 0.33 H new ATOM 1101 N PHE A 106 0.098 -1.021 3.913 1.00 0.18 N ATOM 1102 CA PHE A 106 1.172 -1.980 3.715 1.00 0.17 C ATOM 1103 C PHE A 106 0.601 -3.324 3.294 1.00 0.18 C ATOM 1104 O PHE A 106 1.207 -4.035 2.491 1.00 0.23 O ATOM 1105 CB PHE A 106 2.027 -2.134 4.972 1.00 0.18 C ATOM 1106 CG PHE A 106 3.271 -2.950 4.742 1.00 0.24 C ATOM 1107 CD1 PHE A 106 4.301 -2.458 3.954 1.00 0.35 C ATOM 1108 CD2 PHE A 106 3.412 -4.206 5.309 1.00 0.33 C ATOM 1109 CE1 PHE A 106 5.445 -3.203 3.736 1.00 0.42 C ATOM 1110 CE2 PHE A 106 4.554 -4.954 5.096 1.00 0.42 C ATOM 1111 CZ PHE A 106 5.572 -4.453 4.307 1.00 0.42 C ATOM 0 H PHE A 106 -0.116 -0.813 4.888 1.00 0.18 H new ATOM 0 HA PHE A 106 1.817 -1.602 2.922 1.00 0.17 H new ATOM 0 HB2 PHE A 106 2.309 -1.146 5.336 1.00 0.18 H new ATOM 0 HB3 PHE A 106 1.431 -2.603 5.755 1.00 0.18 H new ATOM 0 HD1 PHE A 106 4.208 -1.480 3.505 1.00 0.35 H new ATOM 0 HD2 PHE A 106 2.620 -4.605 5.925 1.00 0.33 H new ATOM 0 HE1 PHE A 106 6.239 -2.807 3.119 1.00 0.42 H new ATOM 0 HE2 PHE A 106 4.651 -5.931 5.546 1.00 0.42 H new ATOM 0 HZ PHE A 106 6.464 -5.038 4.138 1.00 0.42 H new ATOM 1121 N ALA A 107 -0.573 -3.668 3.827 1.00 0.18 N ATOM 1122 CA ALA A 107 -1.278 -4.863 3.382 1.00 0.19 C ATOM 1123 C ALA A 107 -1.558 -4.768 1.884 1.00 0.18 C ATOM 1124 O ALA A 107 -1.391 -5.738 1.144 1.00 0.22 O ATOM 1125 CB ALA A 107 -2.577 -5.054 4.155 1.00 0.21 C ATOM 0 H ALA A 107 -1.048 -3.140 4.559 1.00 0.18 H new ATOM 0 HA ALA A 107 -0.646 -5.730 3.575 1.00 0.19 H new ATOM 0 HB1 ALA A 107 -3.082 -5.953 3.802 1.00 0.21 H new ATOM 0 HB2 ALA A 107 -2.357 -5.155 5.218 1.00 0.21 H new ATOM 0 HB3 ALA A 107 -3.223 -4.190 3.999 1.00 0.21 H new ATOM 1131 N LEU A 108 -1.975 -3.583 1.446 1.00 0.17 N ATOM 1132 CA LEU A 108 -2.199 -3.324 0.028 1.00 0.19 C ATOM 1133 C LEU A 108 -0.897 -3.463 -0.754 1.00 0.20 C ATOM 1134 O LEU A 108 -0.866 -4.081 -1.819 1.00 0.23 O ATOM 1135 CB LEU A 108 -2.789 -1.925 -0.183 1.00 0.23 C ATOM 1136 CG LEU A 108 -3.058 -1.536 -1.642 1.00 0.32 C ATOM 1137 CD1 LEU A 108 -4.099 -2.453 -2.263 1.00 1.33 C ATOM 1138 CD2 LEU A 108 -3.515 -0.093 -1.726 1.00 1.14 C ATOM 0 H LEU A 108 -2.165 -2.786 2.054 1.00 0.17 H new ATOM 0 HA LEU A 108 -2.912 -4.062 -0.340 1.00 0.19 H new ATOM 0 HB2 LEU A 108 -3.725 -1.857 0.372 1.00 0.23 H new ATOM 0 HB3 LEU A 108 -2.108 -1.193 0.250 1.00 0.23 H new ATOM 0 HG LEU A 108 -2.128 -1.645 -2.201 1.00 0.32 H new ATOM 0 HD11 LEU A 108 -4.273 -2.158 -3.298 1.00 1.33 H new ATOM 0 HD12 LEU A 108 -3.741 -3.482 -2.235 1.00 1.33 H new ATOM 0 HD13 LEU A 108 -5.031 -2.378 -1.703 1.00 1.33 H new ATOM 0 HD21 LEU A 108 -3.702 0.169 -2.767 1.00 1.14 H new ATOM 0 HD22 LEU A 108 -4.432 0.032 -1.150 1.00 1.14 H new ATOM 0 HD23 LEU A 108 -2.740 0.558 -1.321 1.00 1.14 H new ATOM 1150 N ALA A 109 0.182 -2.908 -0.205 1.00 0.23 N ATOM 1151 CA ALA A 109 1.497 -2.993 -0.831 1.00 0.28 C ATOM 1152 C ALA A 109 1.909 -4.447 -1.034 1.00 0.29 C ATOM 1153 O ALA A 109 2.366 -4.823 -2.106 1.00 0.32 O ATOM 1154 CB ALA A 109 2.536 -2.264 0.011 1.00 0.32 C ATOM 0 H ALA A 109 0.169 -2.393 0.675 1.00 0.23 H new ATOM 0 HA ALA A 109 1.438 -2.513 -1.808 1.00 0.28 H new ATOM 0 HB1 ALA A 109 3.511 -2.337 -0.471 1.00 0.32 H new ATOM 0 HB2 ALA A 109 2.256 -1.215 0.106 1.00 0.32 H new ATOM 0 HB3 ALA A 109 2.585 -2.717 1.001 1.00 0.32 H new ATOM 1160 N ASN A 110 1.725 -5.267 0.000 1.00 0.30 N ATOM 1161 CA ASN A 110 2.061 -6.687 -0.078 1.00 0.33 C ATOM 1162 C ASN A 110 1.207 -7.397 -1.119 1.00 0.33 C ATOM 1163 O ASN A 110 1.683 -8.293 -1.815 1.00 0.39 O ATOM 1164 CB ASN A 110 1.877 -7.369 1.279 1.00 0.36 C ATOM 1165 CG ASN A 110 2.874 -6.918 2.334 1.00 0.58 C ATOM 1166 OD1 ASN A 110 4.095 -6.582 1.929 1.00 1.20 O flip ATOM 1167 ND2 ASN A 110 2.551 -6.885 3.517 1.00 0.71 N flip ATOM 0 H ASN A 110 1.346 -4.973 0.900 1.00 0.30 H new ATOM 0 HA ASN A 110 3.108 -6.755 -0.373 1.00 0.33 H new ATOM 0 HB2 ASN A 110 0.867 -7.173 1.640 1.00 0.36 H new ATOM 0 HB3 ASN A 110 1.964 -8.448 1.148 1.00 0.36 H new ATOM 0 HD21 ASN A 110 1.606 -7.149 3.795 1.00 0.71 H new ATOM 0 HD22 ASN A 110 3.228 -6.593 4.222 1.00 0.71 H new ATOM 1174 N HIS A 111 -0.055 -6.994 -1.224 1.00 0.29 N ATOM 1175 CA HIS A 111 -0.958 -7.585 -2.204 1.00 0.30 C ATOM 1176 C HIS A 111 -0.461 -7.272 -3.613 1.00 0.33 C ATOM 1177 O HIS A 111 -0.533 -8.112 -4.511 1.00 0.46 O ATOM 1178 CB HIS A 111 -2.388 -7.057 -2.017 1.00 0.26 C ATOM 1179 CG HIS A 111 -3.453 -8.013 -2.472 1.00 0.31 C ATOM 1180 ND1 HIS A 111 -3.844 -9.107 -1.730 1.00 0.46 N ATOM 1181 CD2 HIS A 111 -4.222 -8.028 -3.588 1.00 0.36 C ATOM 1182 CE1 HIS A 111 -4.806 -9.748 -2.363 1.00 0.52 C ATOM 1183 NE2 HIS A 111 -5.054 -9.119 -3.497 1.00 0.45 N ATOM 0 H HIS A 111 -0.473 -6.265 -0.646 1.00 0.29 H new ATOM 0 HA HIS A 111 -0.974 -8.665 -2.058 1.00 0.30 H new ATOM 0 HB2 HIS A 111 -2.545 -6.828 -0.963 1.00 0.26 H new ATOM 0 HB3 HIS A 111 -2.494 -6.121 -2.566 1.00 0.26 H new ATOM 0 HD2 HIS A 111 -4.188 -7.315 -4.399 1.00 0.36 H new ATOM 0 HE1 HIS A 111 -5.307 -10.638 -2.013 1.00 0.52 H new ATOM 0 HE2 HIS A 111 -5.748 -9.397 -4.191 1.00 0.45 H new ATOM 1192 N LEU A 112 0.058 -6.063 -3.787 1.00 0.27 N ATOM 1193 CA LEU A 112 0.609 -5.638 -5.064 1.00 0.32 C ATOM 1194 C LEU A 112 1.936 -6.344 -5.343 1.00 0.36 C ATOM 1195 O LEU A 112 2.207 -6.739 -6.478 1.00 0.40 O ATOM 1196 CB LEU A 112 0.794 -4.119 -5.084 1.00 0.36 C ATOM 1197 CG LEU A 112 -0.490 -3.301 -4.914 1.00 0.43 C ATOM 1198 CD1 LEU A 112 -0.171 -1.815 -4.859 1.00 0.55 C ATOM 1199 CD2 LEU A 112 -1.468 -3.596 -6.044 1.00 0.52 C ATOM 0 H LEU A 112 0.108 -5.356 -3.053 1.00 0.27 H new ATOM 0 HA LEU A 112 -0.094 -5.913 -5.850 1.00 0.32 H new ATOM 0 HB2 LEU A 112 1.488 -3.844 -4.290 1.00 0.36 H new ATOM 0 HB3 LEU A 112 1.261 -3.839 -6.028 1.00 0.36 H new ATOM 0 HG LEU A 112 -0.958 -3.589 -3.973 1.00 0.43 H new ATOM 0 HD11 LEU A 112 -1.095 -1.249 -4.738 1.00 0.55 H new ATOM 0 HD12 LEU A 112 0.490 -1.616 -4.015 1.00 0.55 H new ATOM 0 HD13 LEU A 112 0.321 -1.514 -5.784 1.00 0.55 H new ATOM 0 HD21 LEU A 112 -2.373 -3.005 -5.905 1.00 0.52 H new ATOM 0 HD22 LEU A 112 -1.009 -3.338 -6.999 1.00 0.52 H new ATOM 0 HD23 LEU A 112 -1.722 -4.656 -6.038 1.00 0.52 H new ATOM 1211 N ILE A 113 2.749 -6.509 -4.300 1.00 0.39 N ATOM 1212 CA ILE A 113 4.000 -7.257 -4.408 1.00 0.49 C ATOM 1213 C ILE A 113 3.717 -8.668 -4.918 1.00 0.54 C ATOM 1214 O ILE A 113 4.371 -9.151 -5.845 1.00 0.60 O ATOM 1215 CB ILE A 113 4.740 -7.351 -3.047 1.00 0.55 C ATOM 1216 CG1 ILE A 113 5.190 -5.968 -2.564 1.00 0.57 C ATOM 1217 CG2 ILE A 113 5.937 -8.287 -3.153 1.00 0.73 C ATOM 1218 CD1 ILE A 113 5.942 -5.993 -1.246 1.00 0.84 C ATOM 0 H ILE A 113 2.563 -6.134 -3.370 1.00 0.39 H new ATOM 0 HA ILE A 113 4.641 -6.720 -5.108 1.00 0.49 H new ATOM 0 HB ILE A 113 4.041 -7.755 -2.315 1.00 0.55 H new ATOM 0 HG12 ILE A 113 5.826 -5.517 -3.326 1.00 0.57 H new ATOM 0 HG13 ILE A 113 4.314 -5.327 -2.460 1.00 0.57 H new ATOM 0 HG21 ILE A 113 6.444 -8.340 -2.189 1.00 0.73 H new ATOM 0 HG22 ILE A 113 5.597 -9.282 -3.440 1.00 0.73 H new ATOM 0 HG23 ILE A 113 6.629 -7.909 -3.906 1.00 0.73 H new ATOM 0 HD11 ILE A 113 6.227 -4.978 -0.970 1.00 0.84 H new ATOM 0 HD12 ILE A 113 5.302 -6.414 -0.470 1.00 0.84 H new ATOM 0 HD13 ILE A 113 6.837 -6.606 -1.350 1.00 0.84 H new ATOM 1230 N LYS A 114 2.723 -9.320 -4.316 1.00 0.56 N ATOM 1231 CA LYS A 114 2.344 -10.666 -4.722 1.00 0.70 C ATOM 1232 C LYS A 114 1.855 -10.700 -6.158 1.00 0.66 C ATOM 1233 O LYS A 114 2.227 -11.589 -6.908 1.00 0.68 O ATOM 1234 CB LYS A 114 1.272 -11.253 -3.804 1.00 0.86 C ATOM 1235 CG LYS A 114 1.839 -11.986 -2.598 1.00 1.54 C ATOM 1236 CD LYS A 114 2.981 -12.920 -2.999 1.00 2.03 C ATOM 1237 CE LYS A 114 2.576 -13.907 -4.093 1.00 2.96 C ATOM 1238 NZ LYS A 114 1.589 -14.913 -3.624 1.00 3.83 N ATOM 0 H LYS A 114 2.170 -8.937 -3.549 1.00 0.56 H new ATOM 0 HA LYS A 114 3.244 -11.276 -4.643 1.00 0.70 H new ATOM 0 HB2 LYS A 114 0.622 -10.449 -3.458 1.00 0.86 H new ATOM 0 HB3 LYS A 114 0.651 -11.941 -4.378 1.00 0.86 H new ATOM 0 HG2 LYS A 114 2.199 -11.262 -1.867 1.00 1.54 H new ATOM 0 HG3 LYS A 114 1.049 -12.561 -2.115 1.00 1.54 H new ATOM 0 HD2 LYS A 114 3.827 -12.326 -3.346 1.00 2.03 H new ATOM 0 HD3 LYS A 114 3.318 -13.473 -2.122 1.00 2.03 H new ATOM 0 HE2 LYS A 114 2.155 -13.357 -4.935 1.00 2.96 H new ATOM 0 HE3 LYS A 114 3.465 -14.420 -4.460 1.00 2.96 H new ATOM 0 HZ1 LYS A 114 1.053 -15.279 -4.437 1.00 3.83 H new ATOM 0 HZ2 LYS A 114 2.088 -15.697 -3.157 1.00 3.83 H new ATOM 0 HZ3 LYS A 114 0.934 -14.469 -2.949 1.00 3.83 H new ATOM 1252 N VAL A 115 1.021 -9.738 -6.533 1.00 0.64 N ATOM 1253 CA VAL A 115 0.519 -9.653 -7.905 1.00 0.70 C ATOM 1254 C VAL A 115 1.667 -9.539 -8.897 1.00 0.71 C ATOM 1255 O VAL A 115 1.676 -10.208 -9.933 1.00 0.82 O ATOM 1256 CB VAL A 115 -0.453 -8.463 -8.087 1.00 0.80 C ATOM 1257 CG1 VAL A 115 -0.733 -8.186 -9.561 1.00 1.19 C ATOM 1258 CG2 VAL A 115 -1.747 -8.759 -7.357 1.00 1.07 C ATOM 0 H VAL A 115 0.677 -9.006 -5.911 1.00 0.64 H new ATOM 0 HA VAL A 115 -0.031 -10.573 -8.102 1.00 0.70 H new ATOM 0 HB VAL A 115 0.014 -7.571 -7.669 1.00 0.80 H new ATOM 0 HG11 VAL A 115 -1.419 -7.344 -9.649 1.00 1.19 H new ATOM 0 HG12 VAL A 115 0.201 -7.948 -10.070 1.00 1.19 H new ATOM 0 HG13 VAL A 115 -1.181 -9.068 -10.018 1.00 1.19 H new ATOM 0 HG21 VAL A 115 -2.435 -7.923 -7.483 1.00 1.07 H new ATOM 0 HG22 VAL A 115 -2.197 -9.664 -7.766 1.00 1.07 H new ATOM 0 HG23 VAL A 115 -1.542 -8.904 -6.296 1.00 1.07 H new ATOM 1268 N LYS A 116 2.642 -8.715 -8.563 1.00 0.65 N ATOM 1269 CA LYS A 116 3.781 -8.496 -9.423 1.00 0.73 C ATOM 1270 C LYS A 116 4.613 -9.768 -9.554 1.00 0.76 C ATOM 1271 O LYS A 116 4.988 -10.161 -10.659 1.00 0.90 O ATOM 1272 CB LYS A 116 4.632 -7.349 -8.873 1.00 0.72 C ATOM 1273 CG LYS A 116 5.391 -6.603 -9.951 1.00 0.95 C ATOM 1274 CD LYS A 116 4.439 -6.070 -11.011 1.00 0.93 C ATOM 1275 CE LYS A 116 5.185 -5.614 -12.244 1.00 1.06 C ATOM 1276 NZ LYS A 116 4.298 -5.553 -13.434 1.00 1.32 N ATOM 0 H LYS A 116 2.664 -8.183 -7.693 1.00 0.65 H new ATOM 0 HA LYS A 116 3.424 -8.226 -10.417 1.00 0.73 H new ATOM 0 HB2 LYS A 116 3.988 -6.650 -8.340 1.00 0.72 H new ATOM 0 HB3 LYS A 116 5.341 -7.746 -8.146 1.00 0.72 H new ATOM 0 HG2 LYS A 116 5.946 -5.777 -9.506 1.00 0.95 H new ATOM 0 HG3 LYS A 116 6.122 -7.267 -10.413 1.00 0.95 H new ATOM 0 HD2 LYS A 116 3.724 -6.846 -11.283 1.00 0.93 H new ATOM 0 HD3 LYS A 116 3.866 -5.238 -10.602 1.00 0.93 H new ATOM 0 HE2 LYS A 116 5.619 -4.631 -12.063 1.00 1.06 H new ATOM 0 HE3 LYS A 116 6.012 -6.296 -12.442 1.00 1.06 H new ATOM 0 HZ1 LYS A 116 4.853 -5.269 -14.266 1.00 1.32 H new ATOM 0 HZ2 LYS A 116 3.877 -6.489 -13.601 1.00 1.32 H new ATOM 0 HZ3 LYS A 116 3.542 -4.858 -13.268 1.00 1.32 H new ATOM 1290 N LEU A 117 4.866 -10.428 -8.432 1.00 0.67 N ATOM 1291 CA LEU A 117 5.674 -11.645 -8.420 1.00 0.74 C ATOM 1292 C LEU A 117 4.872 -12.862 -8.875 1.00 0.78 C ATOM 1293 O LEU A 117 5.440 -13.907 -9.184 1.00 0.85 O ATOM 1294 CB LEU A 117 6.227 -11.888 -7.022 1.00 0.74 C ATOM 1295 CG LEU A 117 7.192 -10.822 -6.516 1.00 0.79 C ATOM 1296 CD1 LEU A 117 7.542 -11.094 -5.068 1.00 0.90 C ATOM 1297 CD2 LEU A 117 8.445 -10.795 -7.378 1.00 0.96 C ATOM 0 H LEU A 117 4.523 -10.142 -7.515 1.00 0.67 H new ATOM 0 HA LEU A 117 6.495 -11.503 -9.122 1.00 0.74 H new ATOM 0 HB2 LEU A 117 5.392 -11.961 -6.325 1.00 0.74 H new ATOM 0 HB3 LEU A 117 6.736 -12.852 -7.012 1.00 0.74 H new ATOM 0 HG LEU A 117 6.713 -9.845 -6.581 1.00 0.79 H new ATOM 0 HD11 LEU A 117 8.232 -10.330 -4.711 1.00 0.90 H new ATOM 0 HD12 LEU A 117 6.635 -11.074 -4.464 1.00 0.90 H new ATOM 0 HD13 LEU A 117 8.012 -12.074 -4.985 1.00 0.90 H new ATOM 0 HD21 LEU A 117 9.126 -10.029 -7.006 1.00 0.96 H new ATOM 0 HD22 LEU A 117 8.935 -11.768 -7.338 1.00 0.96 H new ATOM 0 HD23 LEU A 117 8.173 -10.569 -8.409 1.00 0.96 H new ATOM 1309 N GLU A 118 3.553 -12.732 -8.894 1.00 0.78 N ATOM 1310 CA GLU A 118 2.687 -13.802 -9.369 1.00 0.90 C ATOM 1311 C GLU A 118 2.674 -13.793 -10.888 1.00 1.00 C ATOM 1312 O GLU A 118 2.205 -14.730 -11.531 1.00 1.17 O ATOM 1313 CB GLU A 118 1.260 -13.624 -8.845 1.00 0.95 C ATOM 1314 CG GLU A 118 0.554 -14.935 -8.544 1.00 1.31 C ATOM 1315 CD GLU A 118 1.074 -15.586 -7.280 1.00 1.52 C ATOM 1316 OE1 GLU A 118 2.153 -16.208 -7.326 1.00 2.18 O ATOM 1317 OE2 GLU A 118 0.408 -15.471 -6.227 1.00 1.90 O ATOM 0 H GLU A 118 3.059 -11.895 -8.586 1.00 0.78 H new ATOM 0 HA GLU A 118 3.071 -14.753 -9.001 1.00 0.90 H new ATOM 0 HB2 GLU A 118 1.288 -13.020 -7.938 1.00 0.95 H new ATOM 0 HB3 GLU A 118 0.678 -13.069 -9.581 1.00 0.95 H new ATOM 0 HG2 GLU A 118 -0.516 -14.755 -8.444 1.00 1.31 H new ATOM 0 HG3 GLU A 118 0.686 -15.618 -9.383 1.00 1.31 H new ATOM 1324 N GLY A 119 3.180 -12.705 -11.451 1.00 0.95 N ATOM 1325 CA GLY A 119 3.263 -12.581 -12.895 1.00 1.06 C ATOM 1326 C GLY A 119 2.064 -11.870 -13.480 1.00 1.06 C ATOM 1327 O GLY A 119 1.649 -12.149 -14.605 1.00 1.16 O ATOM 0 H GLY A 119 3.536 -11.902 -10.932 1.00 0.95 H new ATOM 0 HA2 GLY A 119 4.170 -12.037 -13.159 1.00 1.06 H new ATOM 0 HA3 GLY A 119 3.346 -13.573 -13.338 1.00 1.06 H new ATOM 1331 N HIS A 120 1.496 -10.957 -12.709 1.00 0.96 N ATOM 1332 CA HIS A 120 0.366 -10.166 -13.173 1.00 0.97 C ATOM 1333 C HIS A 120 0.750 -8.691 -13.217 1.00 0.94 C ATOM 1334 O HIS A 120 1.860 -8.317 -12.825 1.00 0.95 O ATOM 1335 CB HIS A 120 -0.859 -10.379 -12.277 1.00 0.94 C ATOM 1336 CG HIS A 120 -1.457 -11.754 -12.375 1.00 1.40 C ATOM 1337 ND1 HIS A 120 -1.129 -12.910 -11.749 1.00 1.80 N flip ATOM 1338 CD2 HIS A 120 -2.524 -12.062 -13.197 1.00 1.83 C flip ATOM 1339 CE1 HIS A 120 -1.994 -13.879 -12.199 1.00 2.36 C flip ATOM 1340 NE2 HIS A 120 -2.820 -13.342 -13.072 1.00 2.42 N flip ATOM 0 H HIS A 120 1.799 -10.745 -11.758 1.00 0.96 H new ATOM 0 HA HIS A 120 0.103 -10.494 -14.179 1.00 0.97 H new ATOM 0 HB2 HIS A 120 -0.576 -10.190 -11.241 1.00 0.94 H new ATOM 0 HB3 HIS A 120 -1.620 -9.644 -12.539 1.00 0.94 H new ATOM 0 HD2 HIS A 120 -3.036 -11.363 -13.842 1.00 1.83 H new ATOM 0 HE1 HIS A 120 -1.996 -14.913 -11.887 1.00 2.36 H new ATOM 0 HE2 HIS A 120 -3.564 -13.833 -13.568 1.00 2.42 H new ATOM 1349 N GLU A 121 -0.164 -7.856 -13.685 1.00 1.03 N ATOM 1350 CA GLU A 121 0.101 -6.433 -13.819 1.00 1.05 C ATOM 1351 C GLU A 121 -0.977 -5.625 -13.102 1.00 0.98 C ATOM 1352 O GLU A 121 -2.099 -6.102 -12.906 1.00 1.14 O ATOM 1353 CB GLU A 121 0.167 -6.046 -15.305 1.00 1.25 C ATOM 1354 CG GLU A 121 0.615 -4.611 -15.551 1.00 1.61 C ATOM 1355 CD GLU A 121 1.981 -4.331 -14.967 1.00 1.79 C ATOM 1356 OE1 GLU A 121 2.080 -4.140 -13.737 1.00 2.53 O ATOM 1357 OE2 GLU A 121 2.968 -4.316 -15.729 1.00 1.77 O ATOM 0 H GLU A 121 -1.098 -8.140 -13.979 1.00 1.03 H new ATOM 0 HA GLU A 121 1.063 -6.208 -13.359 1.00 1.05 H new ATOM 0 HB2 GLU A 121 0.852 -6.723 -15.816 1.00 1.25 H new ATOM 0 HB3 GLU A 121 -0.817 -6.191 -15.752 1.00 1.25 H new ATOM 0 HG2 GLU A 121 0.633 -4.417 -16.623 1.00 1.61 H new ATOM 0 HG3 GLU A 121 -0.112 -3.926 -15.115 1.00 1.61 H new ATOM 1364 N LEU A 122 -0.634 -4.412 -12.697 1.00 0.90 N ATOM 1365 CA LEU A 122 -1.585 -3.531 -12.043 1.00 0.87 C ATOM 1366 C LEU A 122 -1.815 -2.292 -12.900 1.00 0.93 C ATOM 1367 O LEU A 122 -0.868 -1.710 -13.421 1.00 1.02 O ATOM 1368 CB LEU A 122 -1.117 -3.139 -10.631 1.00 0.89 C ATOM 1369 CG LEU A 122 0.280 -2.517 -10.527 1.00 1.05 C ATOM 1370 CD1 LEU A 122 0.337 -1.553 -9.354 1.00 1.33 C ATOM 1371 CD2 LEU A 122 1.347 -3.595 -10.356 1.00 1.16 C ATOM 0 H LEU A 122 0.299 -4.016 -12.811 1.00 0.90 H new ATOM 0 HA LEU A 122 -2.527 -4.068 -11.932 1.00 0.87 H new ATOM 0 HB2 LEU A 122 -1.837 -2.434 -10.215 1.00 0.89 H new ATOM 0 HB3 LEU A 122 -1.143 -4.029 -10.003 1.00 0.89 H new ATOM 0 HG LEU A 122 0.478 -1.976 -11.452 1.00 1.05 H new ATOM 0 HD11 LEU A 122 1.334 -1.117 -9.289 1.00 1.33 H new ATOM 0 HD12 LEU A 122 -0.397 -0.760 -9.498 1.00 1.33 H new ATOM 0 HD13 LEU A 122 0.115 -2.089 -8.431 1.00 1.33 H new ATOM 0 HD21 LEU A 122 2.329 -3.127 -10.285 1.00 1.16 H new ATOM 0 HD22 LEU A 122 1.149 -4.162 -9.447 1.00 1.16 H new ATOM 0 HD23 LEU A 122 1.327 -4.267 -11.214 1.00 1.16 H new ATOM 1383 N PRO A 123 -3.080 -1.874 -13.059 1.00 0.97 N ATOM 1384 CA PRO A 123 -3.453 -0.755 -13.934 1.00 1.06 C ATOM 1385 C PRO A 123 -3.136 0.616 -13.335 1.00 1.07 C ATOM 1386 O PRO A 123 -3.573 1.642 -13.864 1.00 1.18 O ATOM 1387 CB PRO A 123 -4.972 -0.910 -14.099 1.00 1.18 C ATOM 1388 CG PRO A 123 -5.335 -2.197 -13.428 1.00 1.33 C ATOM 1389 CD PRO A 123 -4.257 -2.468 -12.423 1.00 1.02 C ATOM 0 HA PRO A 123 -2.893 -0.791 -14.868 1.00 1.06 H new ATOM 0 HB2 PRO A 123 -5.501 -0.072 -13.645 1.00 1.18 H new ATOM 0 HB3 PRO A 123 -5.249 -0.929 -15.153 1.00 1.18 H new ATOM 0 HG2 PRO A 123 -6.308 -2.121 -12.943 1.00 1.33 H new ATOM 0 HG3 PRO A 123 -5.403 -3.008 -14.153 1.00 1.33 H new ATOM 0 HD2 PRO A 123 -4.474 -2.007 -11.459 1.00 1.02 H new ATOM 0 HD3 PRO A 123 -4.127 -3.535 -12.244 1.00 1.02 H new ATOM 1397 N ALA A 124 -2.388 0.620 -12.230 1.00 1.00 N ATOM 1398 CA ALA A 124 -2.022 1.854 -11.529 1.00 1.07 C ATOM 1399 C ALA A 124 -3.259 2.638 -11.101 1.00 1.11 C ATOM 1400 O ALA A 124 -3.219 3.858 -10.945 1.00 1.25 O ATOM 1401 CB ALA A 124 -1.112 2.710 -12.399 1.00 1.23 C ATOM 0 H ALA A 124 -2.020 -0.227 -11.797 1.00 1.00 H new ATOM 0 HA ALA A 124 -1.478 1.579 -10.625 1.00 1.07 H new ATOM 0 HB1 ALA A 124 -0.850 3.622 -11.864 1.00 1.23 H new ATOM 0 HB2 ALA A 124 -0.205 2.154 -12.634 1.00 1.23 H new ATOM 0 HB3 ALA A 124 -1.629 2.968 -13.323 1.00 1.23 H new ATOM 1407 N ASP A 125 -4.354 1.925 -10.892 1.00 1.06 N ATOM 1408 CA ASP A 125 -5.603 2.546 -10.483 1.00 1.15 C ATOM 1409 C ASP A 125 -6.189 1.770 -9.313 1.00 1.07 C ATOM 1410 O ASP A 125 -5.896 0.584 -9.152 1.00 1.04 O ATOM 1411 CB ASP A 125 -6.592 2.571 -11.654 1.00 1.24 C ATOM 1412 CG ASP A 125 -7.701 3.586 -11.458 1.00 1.94 C ATOM 1413 OD1 ASP A 125 -8.690 3.275 -10.765 1.00 2.73 O ATOM 1414 OD2 ASP A 125 -7.587 4.706 -11.996 1.00 2.11 O ATOM 0 H ASP A 125 -4.403 0.912 -10.999 1.00 1.06 H new ATOM 0 HA ASP A 125 -5.412 3.574 -10.175 1.00 1.15 H new ATOM 0 HB2 ASP A 125 -6.054 2.799 -12.574 1.00 1.24 H new ATOM 0 HB3 ASP A 125 -7.029 1.580 -11.777 1.00 1.24 H new ATOM 1419 N LEU A 126 -6.996 2.425 -8.493 1.00 1.07 N ATOM 1420 CA LEU A 126 -7.555 1.784 -7.310 1.00 1.02 C ATOM 1421 C LEU A 126 -9.051 1.511 -7.471 1.00 1.10 C ATOM 1422 O LEU A 126 -9.875 2.418 -7.358 1.00 1.20 O ATOM 1423 CB LEU A 126 -7.317 2.654 -6.072 1.00 1.00 C ATOM 1424 CG LEU A 126 -5.852 2.925 -5.724 1.00 0.91 C ATOM 1425 CD1 LEU A 126 -5.768 3.843 -4.518 1.00 1.17 C ATOM 1426 CD2 LEU A 126 -5.108 1.625 -5.457 1.00 1.66 C ATOM 0 H LEU A 126 -7.279 3.396 -8.623 1.00 1.07 H new ATOM 0 HA LEU A 126 -7.048 0.827 -7.184 1.00 1.02 H new ATOM 0 HB2 LEU A 126 -7.819 3.610 -6.220 1.00 1.00 H new ATOM 0 HB3 LEU A 126 -7.792 2.174 -5.216 1.00 1.00 H new ATOM 0 HG LEU A 126 -5.378 3.414 -6.575 1.00 0.91 H new ATOM 0 HD11 LEU A 126 -4.722 4.031 -4.276 1.00 1.17 H new ATOM 0 HD12 LEU A 126 -6.264 4.787 -4.744 1.00 1.17 H new ATOM 0 HD13 LEU A 126 -6.258 3.371 -3.666 1.00 1.17 H new ATOM 0 HD21 LEU A 126 -4.069 1.844 -5.212 1.00 1.66 H new ATOM 0 HD22 LEU A 126 -5.575 1.103 -4.622 1.00 1.66 H new ATOM 0 HD23 LEU A 126 -5.146 0.995 -6.346 1.00 1.66 H new ATOM 1438 N PRO A 127 -9.414 0.257 -7.769 1.00 1.08 N ATOM 1439 CA PRO A 127 -10.817 -0.177 -7.812 1.00 1.16 C ATOM 1440 C PRO A 127 -11.495 -0.048 -6.441 1.00 1.08 C ATOM 1441 O PRO A 127 -10.833 -0.151 -5.408 1.00 0.96 O ATOM 1442 CB PRO A 127 -10.730 -1.648 -8.233 1.00 1.17 C ATOM 1443 CG PRO A 127 -9.325 -2.060 -7.950 1.00 1.11 C ATOM 1444 CD PRO A 127 -8.487 -0.827 -8.115 1.00 1.03 C ATOM 0 HA PRO A 127 -11.414 0.431 -8.491 1.00 1.16 H new ATOM 0 HB2 PRO A 127 -11.439 -2.259 -7.674 1.00 1.17 H new ATOM 0 HB3 PRO A 127 -10.969 -1.769 -9.290 1.00 1.17 H new ATOM 0 HG2 PRO A 127 -9.233 -2.461 -6.941 1.00 1.11 H new ATOM 0 HG3 PRO A 127 -9.003 -2.844 -8.636 1.00 1.11 H new ATOM 0 HD2 PRO A 127 -7.618 -0.839 -7.457 1.00 1.03 H new ATOM 0 HD3 PRO A 127 -8.113 -0.727 -9.134 1.00 1.03 H new ATOM 1452 N PRO A 128 -12.823 0.157 -6.418 1.00 1.19 N ATOM 1453 CA PRO A 128 -13.585 0.400 -5.181 1.00 1.21 C ATOM 1454 C PRO A 128 -13.361 -0.666 -4.102 1.00 1.10 C ATOM 1455 O PRO A 128 -13.322 -0.357 -2.914 1.00 1.18 O ATOM 1456 CB PRO A 128 -15.051 0.394 -5.643 1.00 1.37 C ATOM 1457 CG PRO A 128 -15.034 -0.171 -7.024 1.00 1.54 C ATOM 1458 CD PRO A 128 -13.695 0.183 -7.599 1.00 1.37 C ATOM 0 HA PRO A 128 -13.272 1.332 -4.710 1.00 1.21 H new ATOM 0 HB2 PRO A 128 -15.669 -0.211 -4.979 1.00 1.37 H new ATOM 0 HB3 PRO A 128 -15.468 1.401 -5.637 1.00 1.37 H new ATOM 0 HG2 PRO A 128 -15.177 -1.251 -7.005 1.00 1.54 H new ATOM 0 HG3 PRO A 128 -15.840 0.247 -7.627 1.00 1.54 H new ATOM 0 HD2 PRO A 128 -13.376 -0.535 -8.355 1.00 1.37 H new ATOM 0 HD3 PRO A 128 -13.704 1.164 -8.075 1.00 1.37 H new ATOM 1466 N HIS A 129 -13.197 -1.916 -4.520 1.00 1.01 N ATOM 1467 CA HIS A 129 -13.000 -3.014 -3.576 1.00 0.97 C ATOM 1468 C HIS A 129 -11.526 -3.186 -3.210 1.00 0.84 C ATOM 1469 O HIS A 129 -11.166 -4.116 -2.490 1.00 0.85 O ATOM 1470 CB HIS A 129 -13.543 -4.333 -4.147 1.00 1.00 C ATOM 1471 CG HIS A 129 -12.930 -4.740 -5.454 1.00 0.91 C ATOM 1472 ND1 HIS A 129 -13.585 -4.613 -6.655 1.00 1.07 N ATOM 1473 CD2 HIS A 129 -11.720 -5.276 -5.744 1.00 0.84 C ATOM 1474 CE1 HIS A 129 -12.812 -5.055 -7.625 1.00 1.02 C ATOM 1475 NE2 HIS A 129 -11.671 -5.466 -7.101 1.00 0.89 N ATOM 0 H HIS A 129 -13.196 -2.195 -5.501 1.00 1.01 H new ATOM 0 HA HIS A 129 -13.553 -2.759 -2.672 1.00 0.97 H new ATOM 0 HB2 HIS A 129 -13.376 -5.126 -3.418 1.00 1.00 H new ATOM 0 HB3 HIS A 129 -14.621 -4.242 -4.278 1.00 1.00 H new ATOM 0 HD2 HIS A 129 -10.938 -5.510 -5.037 1.00 0.84 H new ATOM 0 HE1 HIS A 129 -13.068 -5.078 -8.674 1.00 1.02 H new ATOM 0 HE2 HIS A 129 -10.885 -5.859 -7.619 1.00 0.89 H new ATOM 1484 N LEU A 130 -10.677 -2.310 -3.723 1.00 0.79 N ATOM 1485 CA LEU A 130 -9.255 -2.405 -3.479 1.00 0.70 C ATOM 1486 C LEU A 130 -8.772 -1.193 -2.684 1.00 0.65 C ATOM 1487 O LEU A 130 -7.597 -1.094 -2.332 1.00 0.61 O ATOM 1488 CB LEU A 130 -8.516 -2.500 -4.810 1.00 0.73 C ATOM 1489 CG LEU A 130 -7.053 -2.897 -4.703 1.00 0.84 C ATOM 1490 CD1 LEU A 130 -6.920 -4.373 -4.376 1.00 1.36 C ATOM 1491 CD2 LEU A 130 -6.291 -2.553 -5.973 1.00 1.29 C ATOM 0 H LEU A 130 -10.953 -1.525 -4.312 1.00 0.79 H new ATOM 0 HA LEU A 130 -9.049 -3.301 -2.893 1.00 0.70 H new ATOM 0 HB2 LEU A 130 -9.029 -3.225 -5.443 1.00 0.73 H new ATOM 0 HB3 LEU A 130 -8.580 -1.536 -5.314 1.00 0.73 H new ATOM 0 HG LEU A 130 -6.611 -2.324 -3.888 1.00 0.84 H new ATOM 0 HD11 LEU A 130 -5.865 -4.636 -4.304 1.00 1.36 H new ATOM 0 HD12 LEU A 130 -7.411 -4.581 -3.426 1.00 1.36 H new ATOM 0 HD13 LEU A 130 -7.388 -4.964 -5.163 1.00 1.36 H new ATOM 0 HD21 LEU A 130 -5.248 -2.850 -5.863 1.00 1.29 H new ATOM 0 HD22 LEU A 130 -6.732 -3.083 -6.817 1.00 1.29 H new ATOM 0 HD23 LEU A 130 -6.346 -1.479 -6.150 1.00 1.29 H new ATOM 1503 N VAL A 131 -9.695 -0.287 -2.387 1.00 0.71 N ATOM 1504 CA VAL A 131 -9.386 0.907 -1.607 1.00 0.71 C ATOM 1505 C VAL A 131 -9.551 0.618 -0.116 1.00 0.69 C ATOM 1506 O VAL A 131 -10.572 0.066 0.296 1.00 0.76 O ATOM 1507 CB VAL A 131 -10.309 2.086 -2.003 1.00 0.76 C ATOM 1508 CG1 VAL A 131 -9.993 3.333 -1.187 1.00 1.19 C ATOM 1509 CG2 VAL A 131 -10.199 2.381 -3.494 1.00 1.28 C ATOM 0 H VAL A 131 -10.671 -0.357 -2.676 1.00 0.71 H new ATOM 0 HA VAL A 131 -8.353 1.185 -1.817 1.00 0.71 H new ATOM 0 HB VAL A 131 -11.335 1.792 -1.784 1.00 0.76 H new ATOM 0 HG11 VAL A 131 -10.657 4.143 -1.488 1.00 1.19 H new ATOM 0 HG12 VAL A 131 -10.137 3.121 -0.128 1.00 1.19 H new ATOM 0 HG13 VAL A 131 -8.958 3.629 -1.361 1.00 1.19 H new ATOM 0 HG21 VAL A 131 -10.856 3.212 -3.750 1.00 1.28 H new ATOM 0 HG22 VAL A 131 -9.170 2.643 -3.738 1.00 1.28 H new ATOM 0 HG23 VAL A 131 -10.493 1.498 -4.062 1.00 1.28 H new ATOM 1519 N PRO A 132 -8.535 0.961 0.701 1.00 0.62 N ATOM 1520 CA PRO A 132 -8.588 0.783 2.156 1.00 0.65 C ATOM 1521 C PRO A 132 -9.884 1.321 2.759 1.00 0.77 C ATOM 1522 O PRO A 132 -10.270 2.460 2.495 1.00 0.81 O ATOM 1523 CB PRO A 132 -7.391 1.594 2.652 1.00 0.64 C ATOM 1524 CG PRO A 132 -6.421 1.559 1.523 1.00 0.64 C ATOM 1525 CD PRO A 132 -7.246 1.534 0.263 1.00 0.57 C ATOM 0 HA PRO A 132 -8.557 -0.268 2.442 1.00 0.65 H new ATOM 0 HB2 PRO A 132 -7.679 2.617 2.896 1.00 0.64 H new ATOM 0 HB3 PRO A 132 -6.964 1.159 3.555 1.00 0.64 H new ATOM 0 HG2 PRO A 132 -5.768 2.431 1.544 1.00 0.64 H new ATOM 0 HG3 PRO A 132 -5.780 0.679 1.587 1.00 0.64 H new ATOM 0 HD2 PRO A 132 -7.373 2.534 -0.153 1.00 0.57 H new ATOM 0 HD3 PRO A 132 -6.778 0.924 -0.510 1.00 0.57 H new ATOM 1533 N PRO A 133 -10.555 0.510 3.591 1.00 0.88 N ATOM 1534 CA PRO A 133 -11.875 0.837 4.153 1.00 1.03 C ATOM 1535 C PRO A 133 -11.910 2.182 4.873 1.00 1.04 C ATOM 1536 O PRO A 133 -12.890 2.923 4.780 1.00 1.13 O ATOM 1537 CB PRO A 133 -12.134 -0.302 5.145 1.00 1.17 C ATOM 1538 CG PRO A 133 -11.302 -1.431 4.650 1.00 1.03 C ATOM 1539 CD PRO A 133 -10.079 -0.805 4.047 1.00 0.93 C ATOM 0 HA PRO A 133 -12.626 0.927 3.368 1.00 1.03 H new ATOM 0 HB2 PRO A 133 -11.851 -0.016 6.158 1.00 1.17 H new ATOM 0 HB3 PRO A 133 -13.190 -0.571 5.172 1.00 1.17 H new ATOM 0 HG2 PRO A 133 -11.035 -2.106 5.463 1.00 1.03 H new ATOM 0 HG3 PRO A 133 -11.844 -2.021 3.911 1.00 1.03 H new ATOM 0 HD2 PRO A 133 -9.275 -0.710 4.777 1.00 0.93 H new ATOM 0 HD3 PRO A 133 -9.690 -1.400 3.221 1.00 0.93 H new ATOM 1547 N SER A 134 -10.832 2.509 5.569 1.00 1.02 N ATOM 1548 CA SER A 134 -10.776 3.736 6.347 1.00 1.09 C ATOM 1549 C SER A 134 -10.376 4.928 5.474 1.00 1.09 C ATOM 1550 O SER A 134 -10.314 6.061 5.950 1.00 1.22 O ATOM 1551 CB SER A 134 -9.779 3.573 7.494 1.00 1.14 C ATOM 1552 OG SER A 134 -10.021 2.371 8.212 1.00 1.60 O ATOM 0 H SER A 134 -9.985 1.942 5.611 1.00 1.02 H new ATOM 0 HA SER A 134 -11.770 3.931 6.750 1.00 1.09 H new ATOM 0 HB2 SER A 134 -8.763 3.567 7.099 1.00 1.14 H new ATOM 0 HB3 SER A 134 -9.853 4.425 8.169 1.00 1.14 H new ATOM 0 HG SER A 134 -9.223 1.803 8.177 1.00 1.60 H new ATOM 1558 N LYS A 135 -10.107 4.674 4.198 1.00 0.99 N ATOM 1559 CA LYS A 135 -9.608 5.711 3.308 1.00 1.02 C ATOM 1560 C LYS A 135 -10.536 5.949 2.118 1.00 1.11 C ATOM 1561 O LYS A 135 -10.134 6.556 1.127 1.00 1.21 O ATOM 1562 CB LYS A 135 -8.207 5.347 2.825 1.00 0.89 C ATOM 1563 CG LYS A 135 -7.215 5.178 3.962 1.00 0.90 C ATOM 1564 CD LYS A 135 -5.809 4.928 3.453 1.00 0.67 C ATOM 1565 CE LYS A 135 -4.820 4.819 4.601 1.00 0.66 C ATOM 1566 NZ LYS A 135 -4.946 3.535 5.347 1.00 1.15 N ATOM 0 H LYS A 135 -10.226 3.761 3.759 1.00 0.99 H new ATOM 0 HA LYS A 135 -9.570 6.642 3.874 1.00 1.02 H new ATOM 0 HB2 LYS A 135 -8.255 4.422 2.251 1.00 0.89 H new ATOM 0 HB3 LYS A 135 -7.848 6.123 2.149 1.00 0.89 H new ATOM 0 HG2 LYS A 135 -7.222 6.072 4.586 1.00 0.90 H new ATOM 0 HG3 LYS A 135 -7.526 4.346 4.594 1.00 0.90 H new ATOM 0 HD2 LYS A 135 -5.790 4.010 2.865 1.00 0.67 H new ATOM 0 HD3 LYS A 135 -5.511 5.739 2.788 1.00 0.67 H new ATOM 0 HE2 LYS A 135 -3.806 4.911 4.212 1.00 0.66 H new ATOM 0 HE3 LYS A 135 -4.974 5.651 5.288 1.00 0.66 H new ATOM 0 HZ1 LYS A 135 -4.429 3.604 6.247 1.00 1.15 H new ATOM 0 HZ2 LYS A 135 -5.950 3.342 5.538 1.00 1.15 H new ATOM 0 HZ3 LYS A 135 -4.547 2.762 4.777 1.00 1.15 H new ATOM 1580 N ARG A 136 -11.773 5.488 2.219 1.00 1.14 N ATOM 1581 CA ARG A 136 -12.741 5.709 1.150 1.00 1.24 C ATOM 1582 C ARG A 136 -13.675 6.865 1.512 1.00 1.49 C ATOM 1583 O ARG A 136 -13.995 7.068 2.686 1.00 1.58 O ATOM 1584 CB ARG A 136 -13.528 4.424 0.858 1.00 1.18 C ATOM 1585 CG ARG A 136 -14.317 3.884 2.038 1.00 1.21 C ATOM 1586 CD ARG A 136 -14.984 2.558 1.697 1.00 1.20 C ATOM 1587 NE ARG A 136 -15.823 2.079 2.795 1.00 1.60 N ATOM 1588 CZ ARG A 136 -16.489 0.921 2.785 1.00 1.82 C ATOM 1589 NH1 ARG A 136 -16.367 0.077 1.762 1.00 1.40 N ATOM 1590 NH2 ARG A 136 -17.276 0.606 3.807 1.00 2.76 N ATOM 0 H ARG A 136 -12.130 4.965 3.019 1.00 1.14 H new ATOM 0 HA ARG A 136 -12.204 5.981 0.241 1.00 1.24 H new ATOM 0 HB2 ARG A 136 -14.216 4.614 0.034 1.00 1.18 H new ATOM 0 HB3 ARG A 136 -12.832 3.656 0.521 1.00 1.18 H new ATOM 0 HG2 ARG A 136 -13.653 3.750 2.892 1.00 1.21 H new ATOM 0 HG3 ARG A 136 -15.075 4.609 2.334 1.00 1.21 H new ATOM 0 HD2 ARG A 136 -15.591 2.676 0.799 1.00 1.20 H new ATOM 0 HD3 ARG A 136 -14.221 1.814 1.470 1.00 1.20 H new ATOM 0 HE ARG A 136 -15.905 2.668 3.623 1.00 1.60 H new ATOM 0 HH11 ARG A 136 -15.761 0.312 0.976 1.00 1.40 H new ATOM 0 HH12 ARG A 136 -16.880 -0.805 1.764 1.00 1.40 H new ATOM 0 HH21 ARG A 136 -17.370 1.247 4.595 1.00 2.76 H new ATOM 0 HH22 ARG A 136 -17.787 -0.277 3.804 1.00 2.76 H new ATOM 1604 N ARG A 137 -14.091 7.630 0.506 1.00 1.73 N ATOM 1605 CA ARG A 137 -14.899 8.826 0.732 1.00 2.03 C ATOM 1606 C ARG A 137 -16.386 8.581 0.499 1.00 2.43 C ATOM 1607 O ARG A 137 -16.822 7.460 0.226 1.00 2.60 O ATOM 1608 CB ARG A 137 -14.451 9.959 -0.190 1.00 2.24 C ATOM 1609 CG ARG A 137 -13.221 10.714 0.275 1.00 2.53 C ATOM 1610 CD ARG A 137 -13.086 12.013 -0.502 1.00 2.87 C ATOM 1611 NE ARG A 137 -14.326 12.793 -0.446 1.00 3.17 N ATOM 1612 CZ ARG A 137 -14.819 13.505 -1.461 1.00 3.83 C ATOM 1613 NH1 ARG A 137 -14.154 13.600 -2.606 1.00 4.17 N ATOM 1614 NH2 ARG A 137 -15.977 14.131 -1.331 1.00 4.54 N ATOM 0 H ARG A 137 -13.882 7.443 -0.475 1.00 1.73 H new ATOM 0 HA ARG A 137 -14.751 9.099 1.777 1.00 2.03 H new ATOM 0 HB2 ARG A 137 -14.253 9.546 -1.179 1.00 2.24 H new ATOM 0 HB3 ARG A 137 -15.274 10.666 -0.299 1.00 2.24 H new ATOM 0 HG2 ARG A 137 -13.295 10.924 1.342 1.00 2.53 H new ATOM 0 HG3 ARG A 137 -12.331 10.101 0.132 1.00 2.53 H new ATOM 0 HD2 ARG A 137 -12.264 12.601 -0.093 1.00 2.87 H new ATOM 0 HD3 ARG A 137 -12.836 11.795 -1.540 1.00 2.87 H new ATOM 0 HE ARG A 137 -14.848 12.791 0.430 1.00 3.17 H new ATOM 0 HH11 ARG A 137 -13.257 13.126 -2.716 1.00 4.17 H new ATOM 0 HH12 ARG A 137 -14.540 14.147 -3.376 1.00 4.17 H new ATOM 0 HH21 ARG A 137 -16.494 14.070 -0.454 1.00 4.54 H new ATOM 0 HH22 ARG A 137 -16.353 14.675 -2.108 1.00 4.54 H new ATOM 1628 N HIS A 138 -17.153 9.662 0.617 1.00 2.88 N ATOM 1629 CA HIS A 138 -18.580 9.671 0.309 1.00 3.44 C ATOM 1630 C HIS A 138 -18.850 10.699 -0.785 1.00 3.98 C ATOM 1631 O HIS A 138 -18.244 11.771 -0.782 1.00 4.30 O ATOM 1632 CB HIS A 138 -19.410 10.022 1.554 1.00 3.84 C ATOM 1633 CG HIS A 138 -19.444 8.953 2.609 1.00 4.52 C ATOM 1634 ND1 HIS A 138 -19.113 9.185 3.926 1.00 5.25 N ATOM 1635 CD2 HIS A 138 -19.810 7.651 2.544 1.00 4.95 C ATOM 1636 CE1 HIS A 138 -19.276 8.078 4.623 1.00 5.95 C ATOM 1637 NE2 HIS A 138 -19.701 7.126 3.811 1.00 5.77 N ATOM 0 H HIS A 138 -16.798 10.565 0.932 1.00 2.88 H new ATOM 0 HA HIS A 138 -18.869 8.676 -0.028 1.00 3.44 H new ATOM 0 HB2 HIS A 138 -19.010 10.935 1.995 1.00 3.84 H new ATOM 0 HB3 HIS A 138 -20.432 10.239 1.243 1.00 3.84 H new ATOM 0 HD2 HIS A 138 -20.129 7.121 1.659 1.00 4.95 H new ATOM 0 HE1 HIS A 138 -19.093 7.968 5.682 1.00 5.95 H new ATOM 0 HE2 HIS A 138 -19.912 6.165 4.078 1.00 5.77 H new ATOM 1646 N GLU A 139 -19.748 10.357 -1.714 1.00 4.30 N ATOM 1647 CA GLU A 139 -20.108 11.239 -2.831 1.00 4.91 C ATOM 1648 C GLU A 139 -18.911 11.489 -3.743 1.00 5.22 C ATOM 1649 O GLU A 139 -18.650 10.641 -4.619 1.00 5.78 O ATOM 1650 CB GLU A 139 -20.675 12.566 -2.319 1.00 5.38 C ATOM 1651 CG GLU A 139 -22.019 12.423 -1.622 1.00 5.41 C ATOM 1652 CD GLU A 139 -23.179 12.239 -2.586 1.00 5.79 C ATOM 1653 OE1 GLU A 139 -23.177 11.259 -3.357 1.00 6.15 O ATOM 1654 OE2 GLU A 139 -24.109 13.075 -2.561 1.00 6.01 O ATOM 1655 OXT GLU A 139 -18.235 12.527 -3.584 1.00 5.23 O ATOM 0 H GLU A 139 -20.244 9.466 -1.714 1.00 4.30 H new ATOM 0 HA GLU A 139 -20.880 10.736 -3.413 1.00 4.91 H new ATOM 0 HB2 GLU A 139 -19.962 13.014 -1.627 1.00 5.38 H new ATOM 0 HB3 GLU A 139 -20.781 13.254 -3.157 1.00 5.38 H new ATOM 0 HG2 GLU A 139 -21.980 11.570 -0.944 1.00 5.41 H new ATOM 0 HG3 GLU A 139 -22.200 13.308 -1.011 1.00 5.41 H new TER 1662 GLU A 139 ATOM 1663 N PHE B 143 1.515 23.096 1.017 1.00 10.39 N ATOM 1664 CA PHE B 143 2.895 22.687 1.348 1.00 9.66 C ATOM 1665 C PHE B 143 3.085 21.196 1.153 1.00 8.69 C ATOM 1666 O PHE B 143 2.144 20.410 1.283 1.00 8.65 O ATOM 1667 CB PHE B 143 3.244 23.066 2.789 1.00 10.03 C ATOM 1668 CG PHE B 143 3.645 24.503 2.954 1.00 10.55 C ATOM 1669 CD1 PHE B 143 2.697 25.478 3.213 1.00 10.86 C ATOM 1670 CD2 PHE B 143 4.974 24.874 2.847 1.00 10.94 C ATOM 1671 CE1 PHE B 143 3.068 26.800 3.360 1.00 11.48 C ATOM 1672 CE2 PHE B 143 5.353 26.195 2.994 1.00 11.60 C ATOM 1673 CZ PHE B 143 4.397 27.160 3.251 1.00 11.86 C ATOM 0 HA PHE B 143 3.564 23.216 0.670 1.00 9.66 H new ATOM 0 HB2 PHE B 143 2.384 22.862 3.427 1.00 10.03 H new ATOM 0 HB3 PHE B 143 4.057 22.429 3.136 1.00 10.03 H new ATOM 0 HD1 PHE B 143 1.657 25.202 3.301 1.00 10.86 H new ATOM 0 HD2 PHE B 143 5.723 24.123 2.646 1.00 10.94 H new ATOM 0 HE1 PHE B 143 2.319 27.552 3.560 1.00 11.48 H new ATOM 0 HE2 PHE B 143 6.393 26.473 2.908 1.00 11.60 H new ATOM 0 HZ PHE B 143 4.689 28.193 3.366 1.00 11.86 H new ATOM 1685 N ASN B 144 4.315 20.828 0.836 1.00 8.14 N ATOM 1686 CA ASN B 144 4.706 19.448 0.614 1.00 7.38 C ATOM 1687 C ASN B 144 6.218 19.401 0.543 1.00 6.30 C ATOM 1688 O ASN B 144 6.861 20.450 0.476 1.00 6.24 O ATOM 1689 CB ASN B 144 4.104 18.895 -0.688 1.00 7.92 C ATOM 1690 CG ASN B 144 4.544 19.678 -1.916 1.00 7.74 C ATOM 1691 OD1 ASN B 144 3.901 20.653 -2.309 1.00 7.80 O ATOM 1692 ND2 ASN B 144 5.633 19.249 -2.539 1.00 7.83 N ATOM 0 H ASN B 144 5.082 21.491 0.724 1.00 8.14 H new ATOM 0 HA ASN B 144 4.334 18.830 1.431 1.00 7.38 H new ATOM 0 HB2 ASN B 144 4.396 17.851 -0.804 1.00 7.92 H new ATOM 0 HB3 ASN B 144 3.016 18.916 -0.619 1.00 7.92 H new ATOM 0 HD21 ASN B 144 5.965 19.730 -3.375 1.00 7.83 H new ATOM 0 HD22 ASN B 144 6.138 18.438 -2.183 1.00 7.83 H new ATOM 1699 N TYR B 145 6.795 18.214 0.570 1.00 5.72 N ATOM 1700 CA TYR B 145 8.230 18.093 0.419 1.00 4.87 C ATOM 1701 C TYR B 145 8.558 17.617 -0.993 1.00 4.32 C ATOM 1702 O TYR B 145 7.703 17.060 -1.686 1.00 4.64 O ATOM 1703 CB TYR B 145 8.820 17.143 1.470 1.00 5.10 C ATOM 1704 CG TYR B 145 10.327 17.247 1.600 1.00 5.03 C ATOM 1705 CD1 TYR B 145 10.917 18.334 2.238 1.00 5.32 C ATOM 1706 CD2 TYR B 145 11.163 16.269 1.077 1.00 5.17 C ATOM 1707 CE1 TYR B 145 12.292 18.439 2.347 1.00 5.78 C ATOM 1708 CE2 TYR B 145 12.537 16.367 1.181 1.00 5.60 C ATOM 1709 CZ TYR B 145 13.098 17.454 1.816 1.00 5.92 C ATOM 1710 OH TYR B 145 14.468 17.552 1.922 1.00 6.71 O ATOM 0 H TYR B 145 6.299 17.332 0.693 1.00 5.72 H new ATOM 0 HA TYR B 145 8.682 19.072 0.577 1.00 4.87 H new ATOM 0 HB2 TYR B 145 8.364 17.355 2.437 1.00 5.10 H new ATOM 0 HB3 TYR B 145 8.555 16.118 1.211 1.00 5.10 H new ATOM 0 HD1 TYR B 145 10.291 19.109 2.655 1.00 5.32 H new ATOM 0 HD2 TYR B 145 10.730 15.414 0.579 1.00 5.17 H new ATOM 0 HE1 TYR B 145 12.733 19.289 2.846 1.00 5.78 H new ATOM 0 HE2 TYR B 145 13.169 15.595 0.767 1.00 5.60 H new ATOM 0 HH TYR B 145 14.886 16.774 1.496 1.00 6.71 H new ATOM 1720 N GLU B 146 9.794 17.864 -1.412 1.00 3.92 N ATOM 1721 CA GLU B 146 10.266 17.497 -2.746 1.00 3.68 C ATOM 1722 C GLU B 146 10.237 15.980 -2.943 1.00 2.72 C ATOM 1723 O GLU B 146 10.191 15.483 -4.069 1.00 2.75 O ATOM 1724 CB GLU B 146 11.695 18.013 -2.939 1.00 4.48 C ATOM 1725 CG GLU B 146 11.876 19.475 -2.559 1.00 5.23 C ATOM 1726 CD GLU B 146 11.136 20.421 -3.480 1.00 5.98 C ATOM 1727 OE1 GLU B 146 9.908 20.578 -3.323 1.00 6.16 O ATOM 1728 OE2 GLU B 146 11.792 21.020 -4.360 1.00 6.61 O ATOM 0 H GLU B 146 10.499 18.325 -0.837 1.00 3.92 H new ATOM 0 HA GLU B 146 9.603 17.949 -3.484 1.00 3.68 H new ATOM 0 HB2 GLU B 146 12.375 17.405 -2.342 1.00 4.48 H new ATOM 0 HB3 GLU B 146 11.982 17.880 -3.982 1.00 4.48 H new ATOM 0 HG2 GLU B 146 11.528 19.625 -1.537 1.00 5.23 H new ATOM 0 HG3 GLU B 146 12.938 19.720 -2.573 1.00 5.23 H new ATOM 1735 N SER B 147 10.280 15.253 -1.837 1.00 2.52 N ATOM 1736 CA SER B 147 10.232 13.807 -1.868 1.00 2.12 C ATOM 1737 C SER B 147 8.809 13.341 -1.583 1.00 1.51 C ATOM 1738 O SER B 147 8.250 13.643 -0.529 1.00 1.82 O ATOM 1739 CB SER B 147 11.200 13.231 -0.829 1.00 3.04 C ATOM 1740 OG SER B 147 11.223 11.815 -0.863 1.00 3.65 O ATOM 0 H SER B 147 10.349 15.650 -0.900 1.00 2.52 H new ATOM 0 HA SER B 147 10.531 13.453 -2.855 1.00 2.12 H new ATOM 0 HB2 SER B 147 12.203 13.616 -1.013 1.00 3.04 H new ATOM 0 HB3 SER B 147 10.908 13.566 0.166 1.00 3.04 H new ATOM 0 HG SER B 147 11.852 11.482 -0.189 1.00 3.65 H new ATOM 1746 N THR B 148 8.218 12.633 -2.533 1.00 0.99 N ATOM 1747 CA THR B 148 6.874 12.108 -2.370 1.00 0.74 C ATOM 1748 C THR B 148 6.914 10.600 -2.125 1.00 0.58 C ATOM 1749 O THR B 148 5.920 9.894 -2.308 1.00 1.05 O ATOM 1750 CB THR B 148 6.002 12.428 -3.604 1.00 1.17 C ATOM 1751 OG1 THR B 148 6.773 12.287 -4.810 1.00 1.57 O ATOM 1752 CG2 THR B 148 5.435 13.839 -3.518 1.00 1.79 C ATOM 0 H THR B 148 8.652 12.409 -3.429 1.00 0.99 H new ATOM 0 HA THR B 148 6.426 12.591 -1.502 1.00 0.74 H new ATOM 0 HB THR B 148 5.173 11.721 -3.623 1.00 1.17 H new ATOM 0 HG1 THR B 148 6.603 13.052 -5.398 1.00 1.57 H new ATOM 0 HG21 THR B 148 4.825 14.040 -4.398 1.00 1.79 H new ATOM 0 HG22 THR B 148 4.821 13.930 -2.622 1.00 1.79 H new ATOM 0 HG23 THR B 148 6.253 14.558 -3.472 1.00 1.79 H new ATOM 1760 N GLY B 149 8.078 10.118 -1.707 1.00 0.48 N ATOM 1761 CA GLY B 149 8.240 8.718 -1.391 1.00 0.35 C ATOM 1762 C GLY B 149 9.700 8.315 -1.383 1.00 0.33 C ATOM 1763 O GLY B 149 10.524 8.970 -2.015 1.00 0.39 O ATOM 0 H GLY B 149 8.919 10.681 -1.581 1.00 0.48 H new ATOM 0 HA2 GLY B 149 7.799 8.511 -0.416 1.00 0.35 H new ATOM 0 HA3 GLY B 149 7.699 8.115 -2.120 1.00 0.35 H new ATOM 1767 N PRO B 150 10.056 7.227 -0.688 1.00 0.28 N ATOM 1768 CA PRO B 150 11.444 6.767 -0.606 1.00 0.29 C ATOM 1769 C PRO B 150 11.912 6.119 -1.906 1.00 0.30 C ATOM 1770 O PRO B 150 13.085 5.781 -2.056 1.00 0.33 O ATOM 1771 CB PRO B 150 11.401 5.739 0.524 1.00 0.29 C ATOM 1772 CG PRO B 150 10.009 5.211 0.493 1.00 0.26 C ATOM 1773 CD PRO B 150 9.140 6.363 0.071 1.00 0.26 C ATOM 0 HA PRO B 150 12.143 7.585 -0.430 1.00 0.29 H new ATOM 0 HB2 PRO B 150 12.131 4.945 0.366 1.00 0.29 H new ATOM 0 HB3 PRO B 150 11.631 6.197 1.486 1.00 0.29 H new ATOM 0 HG2 PRO B 150 9.922 4.380 -0.207 1.00 0.26 H new ATOM 0 HG3 PRO B 150 9.712 4.836 1.472 1.00 0.26 H new ATOM 0 HD2 PRO B 150 8.303 6.030 -0.542 1.00 0.26 H new ATOM 0 HD3 PRO B 150 8.718 6.883 0.931 1.00 0.26 H new ATOM 1781 N PHE B 151 10.976 5.914 -2.826 1.00 0.31 N ATOM 1782 CA PHE B 151 11.295 5.340 -4.127 1.00 0.36 C ATOM 1783 C PHE B 151 11.192 6.389 -5.228 1.00 0.51 C ATOM 1784 O PHE B 151 11.716 6.203 -6.325 1.00 0.75 O ATOM 1785 CB PHE B 151 10.347 4.182 -4.444 1.00 0.34 C ATOM 1786 CG PHE B 151 10.212 3.195 -3.329 1.00 0.29 C ATOM 1787 CD1 PHE B 151 11.279 2.393 -2.962 1.00 0.32 C ATOM 1788 CD2 PHE B 151 9.018 3.075 -2.642 1.00 0.34 C ATOM 1789 CE1 PHE B 151 11.155 1.489 -1.929 1.00 0.39 C ATOM 1790 CE2 PHE B 151 8.888 2.174 -1.608 1.00 0.40 C ATOM 1791 CZ PHE B 151 9.957 1.378 -1.253 1.00 0.41 C ATOM 0 H PHE B 151 9.989 6.137 -2.694 1.00 0.31 H new ATOM 0 HA PHE B 151 12.320 4.972 -4.085 1.00 0.36 H new ATOM 0 HB2 PHE B 151 9.363 4.585 -4.683 1.00 0.34 H new ATOM 0 HB3 PHE B 151 10.704 3.665 -5.334 1.00 0.34 H new ATOM 0 HD1 PHE B 151 12.217 2.476 -3.490 1.00 0.32 H new ATOM 0 HD2 PHE B 151 8.178 3.695 -2.919 1.00 0.34 H new ATOM 0 HE1 PHE B 151 11.994 0.869 -1.649 1.00 0.39 H new ATOM 0 HE2 PHE B 151 7.951 2.091 -1.077 1.00 0.40 H new ATOM 0 HZ PHE B 151 9.856 0.668 -0.446 1.00 0.41 H new ATOM 1801 N THR B 152 10.526 7.496 -4.925 1.00 0.66 N ATOM 1802 CA THR B 152 10.126 8.441 -5.957 1.00 0.91 C ATOM 1803 C THR B 152 10.100 9.879 -5.436 1.00 1.58 C ATOM 1804 O THR B 152 9.543 10.160 -4.372 1.00 2.22 O ATOM 1805 CB THR B 152 8.735 8.052 -6.514 1.00 1.40 C ATOM 1806 OG1 THR B 152 8.224 9.068 -7.384 1.00 2.16 O ATOM 1807 CG2 THR B 152 7.746 7.802 -5.383 1.00 1.64 C ATOM 0 H THR B 152 10.253 7.760 -3.978 1.00 0.66 H new ATOM 0 HA THR B 152 10.867 8.395 -6.755 1.00 0.91 H new ATOM 0 HB THR B 152 8.859 7.132 -7.085 1.00 1.40 H new ATOM 0 HG1 THR B 152 7.418 8.738 -7.834 1.00 2.16 H new ATOM 0 HG21 THR B 152 6.777 7.530 -5.801 1.00 1.64 H new ATOM 0 HG22 THR B 152 8.110 6.990 -4.754 1.00 1.64 H new ATOM 0 HG23 THR B 152 7.642 8.707 -4.784 1.00 1.64 H new ATOM 1815 N ALA B 153 10.712 10.780 -6.192 1.00 2.23 N ATOM 1816 CA ALA B 153 10.699 12.197 -5.863 1.00 3.13 C ATOM 1817 C ALA B 153 9.833 12.952 -6.865 1.00 3.79 C ATOM 1818 O ALA B 153 9.487 12.403 -7.914 1.00 4.40 O ATOM 1819 CB ALA B 153 12.120 12.749 -5.840 1.00 3.77 C ATOM 0 H ALA B 153 11.227 10.552 -7.043 1.00 2.23 H new ATOM 0 HA ALA B 153 10.272 12.331 -4.869 1.00 3.13 H new ATOM 0 HB1 ALA B 153 12.094 13.810 -5.592 1.00 3.77 H new ATOM 0 HB2 ALA B 153 12.705 12.216 -5.091 1.00 3.77 H new ATOM 0 HB3 ALA B 153 12.578 12.616 -6.820 1.00 3.77 H new ATOM 1825 N LYS B 154 9.497 14.198 -6.539 1.00 4.06 N ATOM 1826 CA LYS B 154 8.631 15.025 -7.378 1.00 4.97 C ATOM 1827 C LYS B 154 7.280 14.340 -7.586 1.00 5.83 C ATOM 1828 O LYS B 154 6.517 14.230 -6.606 1.00 6.43 O ATOM 1829 CB LYS B 154 9.276 15.333 -8.742 1.00 5.53 C ATOM 1830 CG LYS B 154 10.486 16.264 -8.697 1.00 5.50 C ATOM 1831 CD LYS B 154 11.736 15.566 -8.181 1.00 5.47 C ATOM 1832 CE LYS B 154 12.977 16.417 -8.379 1.00 6.09 C ATOM 1833 NZ LYS B 154 14.191 15.744 -7.852 1.00 6.75 N ATOM 1834 OXT LYS B 154 6.984 13.921 -8.728 1.00 6.18 O ATOM 0 H LYS B 154 9.816 14.662 -5.689 1.00 4.06 H new ATOM 0 HA LYS B 154 8.483 15.971 -6.857 1.00 4.97 H new ATOM 0 HB2 LYS B 154 9.579 14.393 -9.203 1.00 5.53 H new ATOM 0 HB3 LYS B 154 8.521 15.777 -9.390 1.00 5.53 H new ATOM 0 HG2 LYS B 154 10.678 16.655 -9.696 1.00 5.50 H new ATOM 0 HG3 LYS B 154 10.260 17.118 -8.059 1.00 5.50 H new ATOM 0 HD2 LYS B 154 11.615 15.340 -7.122 1.00 5.47 H new ATOM 0 HD3 LYS B 154 11.861 14.615 -8.698 1.00 5.47 H new ATOM 0 HE2 LYS B 154 13.109 16.628 -9.440 1.00 6.09 H new ATOM 0 HE3 LYS B 154 12.845 17.376 -7.878 1.00 6.09 H new ATOM 0 HZ1 LYS B 154 15.020 16.354 -8.004 1.00 6.75 H new ATOM 0 HZ2 LYS B 154 14.075 15.565 -6.834 1.00 6.75 H new ATOM 0 HZ3 LYS B 154 14.330 14.841 -8.348 1.00 6.75 H new TER 1848 LYS B 154 HETATM 1849 CA CA A 141 0.028 6.463 4.204 1.00 0.29 CA