USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 985 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 54 THR OG1 : rot 71:sc= 0.0634 USER MOD Set 1.2: A 84 GLN : amide:sc= 0 K(o=0.063,f=-1.2!) USER MOD Set 2.1: A 77 THR OG1 : rot -110:sc= 0.655 USER MOD Set 2.2: B 4 DT C7 :methyl 150:sc= -6.24! (180deg=-6.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 174:sc= -0.112 (180deg=-0.277) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.0466 X(o=-0.047,f=-0.4) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 MET CE :methyl -123:sc= 0 (180deg=-0.526) USER MOD Single : A 14 SER OG : rot 46:sc= 0.00259 USER MOD Single : A 16 ASN : amide:sc= -0.808 K(o=-0.81,f=-0.14) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -21:sc= 0.508 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.191 K(o=-0.19,f=-0.79) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -167:sc= 1.06 USER MOD Single : A 48 THR OG1 : rot -34:sc= 1.19 USER MOD Single : A 52 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0241) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -3.94! C(o=-3.9!,f=-3!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -13.8! C(o=-14!,f=-15!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -5.76! C(o=-5.8!,f=-8.2!) USER MOD Single : A 76 THR OG1 : rot -178:sc= 0.505 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -1.43! K(o=-1.4!,f=-0.26) USER MOD Single : A 86 ASN : amide:sc= -3.14! C(o=-3.1!,f=-5.4!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -113:sc= 0.0392 (180deg=-2.63!) USER MOD Single : A 91 THR OG1 : rot -34:sc= -0.0265 USER MOD Single : A 92 LYS NZ :NH3+ -157:sc= 0.36 (180deg=0.18) USER MOD Single : A 97 SER OG : rot 39:sc= 0.0902 USER MOD Single : A 104 SER OG : rot -122:sc= 0.0836 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -0.407 X(o=-0.41,f=-0.046) USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.0838 USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.0395 USER MOD Single : B 1 DT C7 :methyl -30:sc= -1.6! (180deg=-2.41!) USER MOD Single : B 1 DT O5' : rot -32:sc= 0.0272 USER MOD Single : B 2 DT C7 :methyl -30:sc= -5.04! (180deg=-11.6!) USER MOD Single : B 3 DT C7 :methyl -30:sc= -25.6! (180deg=-29.2!) USER MOD Single : B 5 DT C7 :methyl -30:sc= -9.87! (180deg=-11.4!) USER MOD Single : B 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 6 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT B 1 -15.536 7.718 7.443 1.00 5.66 O ATOM 2 C5' DT B 1 -15.277 6.313 7.372 1.00 5.17 C ATOM 3 C4' DT B 1 -15.127 5.722 8.755 1.00 4.80 C ATOM 4 O4' DT B 1 -16.322 6.015 9.520 1.00 5.88 O ATOM 5 C3' DT B 1 -14.976 4.203 8.796 1.00 3.88 C ATOM 6 O3' DT B 1 -13.594 3.834 8.827 1.00 2.98 O ATOM 7 C2' DT B 1 -15.662 3.828 10.096 1.00 4.69 C ATOM 8 C1' DT B 1 -16.797 4.836 10.157 1.00 5.87 C ATOM 9 N1 DT B 1 -18.030 4.410 9.465 1.00 6.57 N ATOM 10 C2 DT B 1 -19.172 5.158 9.641 1.00 7.69 C ATOM 11 O2 DT B 1 -19.216 6.153 10.346 1.00 8.15 O ATOM 12 N3 DT B 1 -20.268 4.697 8.957 1.00 8.42 N ATOM 13 C4 DT B 1 -20.334 3.589 8.137 1.00 8.27 C ATOM 14 O4 DT B 1 -21.390 3.300 7.581 1.00 9.17 O ATOM 15 C5 DT B 1 -19.100 2.848 8.002 1.00 7.17 C ATOM 16 C7 DT B 1 -19.080 1.628 7.137 1.00 7.24 C ATOM 17 C6 DT B 1 -18.020 3.287 8.663 1.00 6.30 C ATOM 0 H5' DT B 1 -14.369 6.135 6.796 1.00 5.17 H new ATOM 0 H5'' DT B 1 -16.091 5.815 6.846 1.00 5.17 H new ATOM 0 H4' DT B 1 -14.215 6.166 9.153 1.00 4.80 H new ATOM 0 H3' DT B 1 -15.400 3.703 7.925 1.00 3.88 H new ATOM 0 H2' DT B 1 -16.028 2.802 10.083 1.00 4.69 H new ATOM 0 H2'' DT B 1 -14.992 3.916 10.951 1.00 4.69 H new ATOM 0 HO5' DT B 1 -16.053 7.915 8.252 1.00 5.66 H new ATOM 0 H1' DT B 1 -17.067 4.970 11.205 1.00 5.87 H new ATOM 0 H3 DT B 1 -21.129 5.232 9.067 1.00 8.42 H new ATOM 0 H71 DT B 1 -20.066 1.162 7.142 1.00 7.24 H new ATOM 0 H72 DT B 1 -18.816 1.909 6.117 1.00 7.24 H new ATOM 0 H73 DT B 1 -18.343 0.922 7.521 1.00 7.24 H new ATOM 0 H6 DT B 1 -17.097 2.735 8.563 1.00 6.30 H new ATOM 31 P DT B 2 -12.932 3.119 7.549 1.00 2.13 P ATOM 32 OP1 DT B 2 -11.465 3.044 7.770 1.00 2.54 O ATOM 33 OP2 DT B 2 -13.457 3.797 6.337 1.00 2.81 O ATOM 34 O5' DT B 2 -13.532 1.642 7.579 1.00 1.38 O ATOM 35 C5' DT B 2 -12.684 0.508 7.759 1.00 1.02 C ATOM 36 C4' DT B 2 -12.010 0.149 6.454 1.00 0.74 C ATOM 37 O4' DT B 2 -10.618 0.532 6.523 1.00 0.60 O ATOM 38 C3' DT B 2 -12.000 -1.341 6.134 1.00 0.78 C ATOM 39 O3' DT B 2 -13.164 -1.674 5.370 1.00 1.06 O ATOM 40 C2' DT B 2 -10.734 -1.498 5.316 1.00 0.67 C ATOM 41 C1' DT B 2 -9.797 -0.481 5.955 1.00 0.52 C ATOM 42 N1 DT B 2 -8.938 -1.049 7.013 1.00 0.50 N ATOM 43 C2 DT B 2 -8.787 -0.416 8.237 1.00 0.56 C ATOM 44 O2 DT B 2 -9.275 0.666 8.517 1.00 0.61 O ATOM 45 N3 DT B 2 -8.026 -1.108 9.137 1.00 0.60 N ATOM 46 C4 DT B 2 -7.427 -2.334 8.958 1.00 0.59 C ATOM 47 O4 DT B 2 -6.798 -2.849 9.881 1.00 0.68 O ATOM 48 C5 DT B 2 -7.608 -2.923 7.658 1.00 0.54 C ATOM 49 C7 DT B 2 -7.143 -4.326 7.434 1.00 0.60 C ATOM 50 C6 DT B 2 -8.324 -2.250 6.752 1.00 0.49 C ATOM 0 H5' DT B 2 -13.268 -0.338 8.120 1.00 1.02 H new ATOM 0 H5'' DT B 2 -11.932 0.724 8.518 1.00 1.02 H new ATOM 0 H4' DT B 2 -12.583 0.669 5.687 1.00 0.74 H new ATOM 0 H3' DT B 2 -12.016 -1.991 7.009 1.00 0.78 H new ATOM 0 H2' DT B 2 -10.335 -2.511 5.377 1.00 0.67 H new ATOM 0 H2'' DT B 2 -10.904 -1.285 4.261 1.00 0.67 H new ATOM 0 H1' DT B 2 -9.123 -0.105 5.186 1.00 0.52 H new ATOM 0 H3 DT B 2 -7.886 -0.665 10.045 1.00 0.60 H new ATOM 0 H71 DT B 2 -6.290 -4.534 8.080 1.00 0.60 H new ATOM 0 H72 DT B 2 -7.952 -5.019 7.667 1.00 0.60 H new ATOM 0 H73 DT B 2 -6.848 -4.450 6.392 1.00 0.60 H new ATOM 0 H6 DT B 2 -8.425 -2.672 5.763 1.00 0.49 H new ATOM 63 P DT B 3 -13.642 -3.206 5.259 1.00 0.89 P ATOM 64 OP1 DT B 3 -14.535 -3.486 6.413 1.00 1.15 O ATOM 65 OP2 DT B 3 -12.451 -4.062 5.028 1.00 1.24 O ATOM 66 O5' DT B 3 -14.532 -3.226 3.937 1.00 0.73 O ATOM 67 C5' DT B 3 -14.137 -3.993 2.802 1.00 0.77 C ATOM 68 C4' DT B 3 -13.669 -3.083 1.690 1.00 0.53 C ATOM 69 O4' DT B 3 -13.557 -1.728 2.182 1.00 0.47 O ATOM 70 C3' DT B 3 -12.288 -3.429 1.116 1.00 0.58 C ATOM 71 O3' DT B 3 -12.322 -3.499 -0.318 1.00 0.73 O ATOM 72 C2' DT B 3 -11.415 -2.258 1.544 1.00 0.60 C ATOM 73 C1' DT B 3 -12.434 -1.149 1.561 1.00 0.41 C ATOM 74 N1 DT B 3 -12.084 0.086 2.298 1.00 0.37 N ATOM 75 C2 DT B 3 -13.079 1.026 2.410 1.00 0.49 C ATOM 76 O2 DT B 3 -14.189 0.880 1.929 1.00 0.59 O ATOM 77 N3 DT B 3 -12.731 2.146 3.109 1.00 0.63 N ATOM 78 C4 DT B 3 -11.526 2.414 3.708 1.00 0.70 C ATOM 79 O4 DT B 3 -11.374 3.456 4.343 1.00 0.92 O ATOM 80 C5 DT B 3 -10.520 1.401 3.542 1.00 0.63 C ATOM 81 C7 DT B 3 -9.218 1.585 4.247 1.00 0.87 C ATOM 82 C6 DT B 3 -10.832 0.296 2.845 1.00 0.47 C ATOM 0 H5' DT B 3 -14.974 -4.600 2.456 1.00 0.77 H new ATOM 0 H5'' DT B 3 -13.338 -4.680 3.079 1.00 0.77 H new ATOM 0 H4' DT B 3 -14.415 -3.205 0.905 1.00 0.53 H new ATOM 0 H3' DT B 3 -11.930 -4.397 1.467 1.00 0.58 H new ATOM 0 H2' DT B 3 -10.958 -2.417 2.521 1.00 0.60 H new ATOM 0 H2'' DT B 3 -10.605 -2.066 0.841 1.00 0.60 H new ATOM 0 H1' DT B 3 -12.562 -0.803 0.535 1.00 0.41 H new ATOM 0 H3 DT B 3 -13.449 2.866 3.196 1.00 0.63 H new ATOM 0 H71 DT B 3 -9.008 2.649 4.351 1.00 0.87 H new ATOM 0 H72 DT B 3 -9.271 1.128 5.235 1.00 0.87 H new ATOM 0 H73 DT B 3 -8.422 1.112 3.671 1.00 0.87 H new ATOM 0 H6 DT B 3 -10.073 -0.460 2.706 1.00 0.47 H new ATOM 95 P DT B 4 -13.720 -3.708 -1.091 1.00 0.58 P ATOM 96 OP1 DT B 4 -14.589 -2.522 -0.873 1.00 1.18 O ATOM 97 OP2 DT B 4 -14.224 -5.062 -0.745 1.00 1.05 O ATOM 98 O5' DT B 4 -13.302 -3.714 -2.628 1.00 0.57 O ATOM 99 C5' DT B 4 -13.818 -2.735 -3.532 1.00 0.56 C ATOM 100 C4' DT B 4 -12.960 -1.492 -3.506 1.00 0.43 C ATOM 101 O4' DT B 4 -11.950 -1.644 -2.490 1.00 0.42 O ATOM 102 C3' DT B 4 -12.201 -1.208 -4.803 1.00 0.46 C ATOM 103 O3' DT B 4 -12.856 -0.170 -5.537 1.00 0.68 O ATOM 104 C2' DT B 4 -10.823 -0.742 -4.348 1.00 0.39 C ATOM 105 C1' DT B 4 -10.831 -0.853 -2.828 1.00 0.38 C ATOM 106 N1 DT B 4 -9.636 -1.496 -2.241 1.00 0.37 N ATOM 107 C2 DT B 4 -8.387 -1.078 -2.642 1.00 0.45 C ATOM 108 O2 DT B 4 -8.209 -0.204 -3.473 1.00 0.56 O ATOM 109 N3 DT B 4 -7.343 -1.727 -2.030 1.00 0.48 N ATOM 110 C4 DT B 4 -7.423 -2.727 -1.082 1.00 0.40 C ATOM 111 O4 DT B 4 -6.391 -3.193 -0.590 1.00 0.44 O ATOM 112 C5 DT B 4 -8.763 -3.119 -0.714 1.00 0.39 C ATOM 113 C7 DT B 4 -8.948 -4.203 0.298 1.00 0.49 C ATOM 114 C6 DT B 4 -9.792 -2.494 -1.302 1.00 0.39 C ATOM 0 H5' DT B 4 -14.843 -2.483 -3.259 1.00 0.56 H new ATOM 0 H5'' DT B 4 -13.848 -3.143 -4.542 1.00 0.56 H new ATOM 0 H4' DT B 4 -13.655 -0.671 -3.329 1.00 0.43 H new ATOM 0 H3' DT B 4 -12.149 -2.080 -5.456 1.00 0.46 H new ATOM 0 H2' DT B 4 -10.038 -1.361 -4.782 1.00 0.39 H new ATOM 0 H2'' DT B 4 -10.632 0.283 -4.665 1.00 0.39 H new ATOM 0 H1' DT B 4 -10.854 0.162 -2.431 1.00 0.38 H new ATOM 0 H3 DT B 4 -6.405 -1.438 -2.307 1.00 0.48 H new ATOM 0 H71 DT B 4 -9.875 -4.035 0.846 1.00 0.49 H new ATOM 0 H72 DT B 4 -8.994 -5.168 -0.207 1.00 0.49 H new ATOM 0 H73 DT B 4 -8.109 -4.198 0.994 1.00 0.49 H new ATOM 0 H6 DT B 4 -10.794 -2.787 -1.027 1.00 0.39 H new ATOM 127 P DT B 5 -12.327 0.231 -7.002 1.00 0.49 P ATOM 128 OP1 DT B 5 -11.186 1.168 -6.849 1.00 1.05 O ATOM 129 OP2 DT B 5 -13.510 0.641 -7.802 1.00 0.90 O ATOM 130 O5' DT B 5 -11.773 -1.138 -7.603 1.00 0.57 O ATOM 131 C5' DT B 5 -12.378 -1.733 -8.752 1.00 0.54 C ATOM 132 C4' DT B 5 -11.331 -2.414 -9.602 1.00 0.42 C ATOM 133 O4' DT B 5 -10.105 -2.538 -8.837 1.00 0.34 O ATOM 134 C3' DT B 5 -11.690 -3.834 -10.040 1.00 0.45 C ATOM 135 O3' DT B 5 -11.158 -4.109 -11.342 1.00 0.50 O ATOM 136 C2' DT B 5 -11.012 -4.693 -8.991 1.00 0.39 C ATOM 137 C1' DT B 5 -9.745 -3.906 -8.717 1.00 0.32 C ATOM 138 N1 DT B 5 -9.164 -4.108 -7.373 1.00 0.26 N ATOM 139 C2 DT B 5 -7.815 -4.353 -7.282 1.00 0.29 C ATOM 140 O2 DT B 5 -7.082 -4.424 -8.257 1.00 0.36 O ATOM 141 N3 DT B 5 -7.349 -4.510 -6.004 1.00 0.28 N ATOM 142 C4 DT B 5 -8.077 -4.429 -4.836 1.00 0.28 C ATOM 143 O4 DT B 5 -7.506 -4.524 -3.753 1.00 0.34 O ATOM 144 C5 DT B 5 -9.486 -4.182 -5.007 1.00 0.28 C ATOM 145 C7 DT B 5 -10.355 -4.081 -3.794 1.00 0.38 C ATOM 146 C6 DT B 5 -9.959 -4.038 -6.251 1.00 0.26 C ATOM 0 H5' DT B 5 -12.892 -0.970 -9.337 1.00 0.54 H new ATOM 0 H5'' DT B 5 -13.131 -2.457 -8.441 1.00 0.54 H new ATOM 0 H4' DT B 5 -11.240 -1.790 -10.491 1.00 0.42 H new ATOM 0 H3' DT B 5 -12.764 -4.008 -10.111 1.00 0.45 H new ATOM 0 H2' DT B 5 -11.625 -4.806 -8.097 1.00 0.39 H new ATOM 0 H2'' DT B 5 -10.798 -5.696 -9.360 1.00 0.39 H new ATOM 0 H1' DT B 5 -8.984 -4.243 -9.421 1.00 0.32 H new ATOM 0 H3 DT B 5 -6.353 -4.709 -5.905 1.00 0.28 H new ATOM 0 H71 DT B 5 -9.944 -4.704 -2.999 1.00 0.38 H new ATOM 0 H72 DT B 5 -10.394 -3.044 -3.460 1.00 0.38 H new ATOM 0 H73 DT B 5 -11.361 -4.421 -4.038 1.00 0.38 H new ATOM 0 H6 DT B 5 -11.016 -3.858 -6.381 1.00 0.26 H new ATOM 159 P DT B 6 -11.210 -5.606 -11.928 1.00 0.71 P ATOM 160 OP1 DT B 6 -11.472 -5.517 -13.387 1.00 0.80 O ATOM 161 OP2 DT B 6 -12.117 -6.413 -11.069 1.00 1.10 O ATOM 162 O5' DT B 6 -9.727 -6.148 -11.723 1.00 0.88 O ATOM 163 C5' DT B 6 -8.653 -5.674 -12.538 1.00 0.95 C ATOM 164 C4' DT B 6 -7.330 -5.912 -11.850 1.00 0.76 C ATOM 165 O4' DT B 6 -7.386 -7.172 -11.138 1.00 0.52 O ATOM 166 C3' DT B 6 -6.135 -6.030 -12.790 1.00 0.75 C ATOM 167 O3' DT B 6 -5.510 -4.758 -12.978 1.00 1.10 O ATOM 168 C2' DT B 6 -5.213 -6.979 -12.048 1.00 0.71 C ATOM 169 C1' DT B 6 -6.188 -7.911 -11.346 1.00 0.48 C ATOM 170 N1 DT B 6 -6.534 -9.127 -12.107 1.00 0.49 N ATOM 171 C2 DT B 6 -5.691 -10.212 -12.021 1.00 0.74 C ATOM 172 O2 DT B 6 -4.671 -10.212 -11.349 1.00 0.90 O ATOM 173 N3 DT B 6 -6.084 -11.302 -12.751 1.00 0.92 N ATOM 174 C4 DT B 6 -7.210 -11.414 -13.542 1.00 0.95 C ATOM 175 O4 DT B 6 -7.439 -12.462 -14.138 1.00 1.22 O ATOM 176 C5 DT B 6 -8.050 -10.237 -13.589 1.00 0.77 C ATOM 177 C7 DT B 6 -9.293 -10.267 -14.419 1.00 1.00 C ATOM 178 C6 DT B 6 -7.677 -9.163 -12.880 1.00 0.53 C ATOM 0 H5' DT B 6 -8.781 -4.610 -12.738 1.00 0.95 H new ATOM 0 H5'' DT B 6 -8.666 -6.183 -13.502 1.00 0.95 H new ATOM 0 H4' DT B 6 -7.185 -5.041 -11.210 1.00 0.76 H new ATOM 0 H3' DT B 6 -6.403 -6.380 -13.787 1.00 0.75 H new ATOM 0 H2' DT B 6 -4.555 -7.519 -12.729 1.00 0.71 H new ATOM 0 H2'' DT B 6 -4.575 -6.452 -11.339 1.00 0.71 H new ATOM 0 HO3' DT B 6 -4.745 -4.856 -13.583 1.00 1.10 H new ATOM 0 H1' DT B 6 -5.708 -8.251 -10.429 1.00 0.48 H new ATOM 0 H3 DT B 6 -5.478 -12.121 -12.705 1.00 0.92 H new ATOM 0 H71 DT B 6 -10.042 -9.610 -13.976 1.00 1.00 H new ATOM 0 H72 DT B 6 -9.064 -9.927 -15.429 1.00 1.00 H new ATOM 0 H73 DT B 6 -9.680 -11.285 -14.457 1.00 1.00 H new ATOM 0 H6 DT B 6 -8.301 -8.282 -12.915 1.00 0.53 H new TER 192 DT B 6 ATOM 193 N MET A 1 11.325 -2.328 13.839 1.00 0.49 N ATOM 194 CA MET A 1 9.919 -2.812 13.862 1.00 0.49 C ATOM 195 C MET A 1 9.274 -2.681 12.488 1.00 0.45 C ATOM 196 O MET A 1 8.050 -2.734 12.359 1.00 0.44 O ATOM 197 CB MET A 1 9.110 -2.025 14.894 1.00 0.50 C ATOM 198 CG MET A 1 9.532 -2.290 16.329 1.00 0.54 C ATOM 199 SD MET A 1 8.133 -2.627 17.415 1.00 0.57 S ATOM 200 CE MET A 1 8.910 -3.660 18.656 1.00 0.61 C ATOM 0 H1 MET A 1 11.709 -2.332 14.805 1.00 0.49 H new ATOM 0 H2 MET A 1 11.897 -2.953 13.236 1.00 0.49 H new ATOM 0 H3 MET A 1 11.353 -1.360 13.460 1.00 0.49 H new ATOM 0 HA MET A 1 9.927 -3.866 14.138 1.00 0.49 H new ATOM 0 HB2 MET A 1 9.210 -0.960 14.686 1.00 0.50 H new ATOM 0 HB3 MET A 1 8.055 -2.274 14.783 1.00 0.50 H new ATOM 0 HG2 MET A 1 10.216 -3.138 16.351 1.00 0.54 H new ATOM 0 HG3 MET A 1 10.081 -1.427 16.707 1.00 0.54 H new ATOM 0 HE1 MET A 1 8.170 -3.952 19.402 1.00 0.61 H new ATOM 0 HE2 MET A 1 9.319 -4.552 18.182 1.00 0.61 H new ATOM 0 HE3 MET A 1 9.714 -3.105 19.140 1.00 0.61 H new ATOM 212 N GLU A 2 10.102 -2.508 11.463 1.00 0.43 N ATOM 213 CA GLU A 2 9.610 -2.369 10.097 1.00 0.40 C ATOM 214 C GLU A 2 10.142 -3.490 9.209 1.00 0.40 C ATOM 215 O GLU A 2 11.346 -3.748 9.173 1.00 0.42 O ATOM 216 CB GLU A 2 10.016 -1.012 9.518 1.00 0.38 C ATOM 217 CG GLU A 2 11.410 -0.565 9.929 1.00 0.39 C ATOM 218 CD GLU A 2 11.391 0.663 10.814 1.00 0.40 C ATOM 219 OE1 GLU A 2 10.694 1.638 10.465 1.00 0.38 O ATOM 220 OE2 GLU A 2 12.076 0.654 11.859 1.00 0.42 O ATOM 0 H GLU A 2 11.117 -2.461 11.552 1.00 0.43 H new ATOM 0 HA GLU A 2 8.522 -2.434 10.124 1.00 0.40 H new ATOM 0 HB2 GLU A 2 9.966 -1.061 8.430 1.00 0.38 H new ATOM 0 HB3 GLU A 2 9.294 -0.260 9.837 1.00 0.38 H new ATOM 0 HG2 GLU A 2 11.908 -1.379 10.455 1.00 0.39 H new ATOM 0 HG3 GLU A 2 11.998 -0.355 9.036 1.00 0.39 H new ATOM 227 N GLU A 3 9.237 -4.151 8.495 1.00 0.39 N ATOM 228 CA GLU A 3 9.615 -5.244 7.606 1.00 0.40 C ATOM 229 C GLU A 3 9.786 -4.752 6.170 1.00 0.37 C ATOM 230 O GLU A 3 9.456 -3.610 5.852 1.00 0.35 O ATOM 231 CB GLU A 3 8.571 -6.360 7.662 1.00 0.41 C ATOM 232 CG GLU A 3 7.312 -6.066 6.858 1.00 0.38 C ATOM 233 CD GLU A 3 6.095 -6.790 7.399 1.00 0.39 C ATOM 234 OE1 GLU A 3 5.888 -7.964 7.022 1.00 0.41 O ATOM 235 OE2 GLU A 3 5.351 -6.186 8.197 1.00 0.39 O ATOM 0 H GLU A 3 8.237 -3.949 8.514 1.00 0.39 H new ATOM 0 HA GLU A 3 10.573 -5.638 7.945 1.00 0.40 H new ATOM 0 HB2 GLU A 3 9.019 -7.283 7.293 1.00 0.41 H new ATOM 0 HB3 GLU A 3 8.294 -6.534 8.702 1.00 0.41 H new ATOM 0 HG2 GLU A 3 7.124 -4.992 6.863 1.00 0.38 H new ATOM 0 HG3 GLU A 3 7.472 -6.357 5.820 1.00 0.38 H new ATOM 242 N LYS A 4 10.307 -5.623 5.310 1.00 0.39 N ATOM 243 CA LYS A 4 10.525 -5.286 3.908 1.00 0.37 C ATOM 244 C LYS A 4 9.377 -5.790 3.039 1.00 0.36 C ATOM 245 O LYS A 4 8.485 -6.490 3.515 1.00 0.37 O ATOM 246 CB LYS A 4 11.849 -5.883 3.424 1.00 0.41 C ATOM 247 CG LYS A 4 12.147 -7.259 3.994 1.00 0.44 C ATOM 248 CD LYS A 4 12.978 -7.171 5.265 1.00 0.46 C ATOM 249 CE LYS A 4 14.456 -7.385 4.982 1.00 0.49 C ATOM 250 NZ LYS A 4 15.125 -8.150 6.070 1.00 0.52 N ATOM 0 H LYS A 4 10.587 -6.571 5.562 1.00 0.39 H new ATOM 0 HA LYS A 4 10.567 -4.200 3.822 1.00 0.37 H new ATOM 0 HB2 LYS A 4 11.832 -5.947 2.336 1.00 0.41 H new ATOM 0 HB3 LYS A 4 12.661 -5.206 3.691 1.00 0.41 H new ATOM 0 HG2 LYS A 4 11.211 -7.776 4.206 1.00 0.44 H new ATOM 0 HG3 LYS A 4 12.679 -7.854 3.251 1.00 0.44 H new ATOM 0 HD2 LYS A 4 12.833 -6.195 5.728 1.00 0.46 H new ATOM 0 HD3 LYS A 4 12.632 -7.918 5.979 1.00 0.46 H new ATOM 0 HE2 LYS A 4 14.571 -7.919 4.039 1.00 0.49 H new ATOM 0 HE3 LYS A 4 14.946 -6.419 4.863 1.00 0.49 H new ATOM 0 HZ1 LYS A 4 16.131 -8.275 5.839 1.00 0.52 H new ATOM 0 HZ2 LYS A 4 15.037 -7.628 6.966 1.00 0.52 H new ATOM 0 HZ3 LYS A 4 14.674 -9.082 6.167 1.00 0.52 H new ATOM 264 N VAL A 5 9.410 -5.425 1.760 1.00 0.35 N ATOM 265 CA VAL A 5 8.378 -5.836 0.814 1.00 0.34 C ATOM 266 C VAL A 5 8.518 -7.313 0.456 1.00 0.37 C ATOM 267 O VAL A 5 7.524 -8.015 0.284 1.00 0.37 O ATOM 268 CB VAL A 5 8.439 -4.990 -0.475 1.00 0.32 C ATOM 269 CG1 VAL A 5 7.362 -5.422 -1.458 1.00 0.31 C ATOM 270 CG2 VAL A 5 8.304 -3.510 -0.151 1.00 0.29 C ATOM 0 H VAL A 5 10.143 -4.843 1.354 1.00 0.35 H new ATOM 0 HA VAL A 5 7.414 -5.678 1.298 1.00 0.34 H new ATOM 0 HB VAL A 5 9.410 -5.153 -0.942 1.00 0.32 H new ATOM 0 HG11 VAL A 5 7.425 -4.811 -2.359 1.00 0.31 H new ATOM 0 HG12 VAL A 5 7.507 -6.470 -1.720 1.00 0.31 H new ATOM 0 HG13 VAL A 5 6.380 -5.295 -1.001 1.00 0.31 H new ATOM 0 HG21 VAL A 5 8.349 -2.930 -1.073 1.00 0.29 H new ATOM 0 HG22 VAL A 5 7.349 -3.331 0.343 1.00 0.29 H new ATOM 0 HG23 VAL A 5 9.117 -3.206 0.509 1.00 0.29 H new ATOM 280 N GLY A 6 9.760 -7.777 0.353 1.00 0.41 N ATOM 281 CA GLY A 6 10.007 -9.165 0.013 1.00 0.44 C ATOM 282 C GLY A 6 9.787 -10.102 1.184 1.00 0.46 C ATOM 283 O GLY A 6 10.025 -11.306 1.077 1.00 0.50 O ATOM 0 H GLY A 6 10.599 -7.216 0.499 1.00 0.41 H new ATOM 0 HA2 GLY A 6 9.352 -9.456 -0.808 1.00 0.44 H new ATOM 0 HA3 GLY A 6 11.031 -9.271 -0.344 1.00 0.44 H new ATOM 287 N ASN A 7 9.331 -9.553 2.307 1.00 0.44 N ATOM 288 CA ASN A 7 9.082 -10.350 3.503 1.00 0.47 C ATOM 289 C ASN A 7 7.679 -10.106 4.049 1.00 0.44 C ATOM 290 O ASN A 7 7.286 -10.698 5.055 1.00 0.46 O ATOM 291 CB ASN A 7 10.115 -10.021 4.575 1.00 0.48 C ATOM 292 CG ASN A 7 10.368 -11.180 5.519 1.00 0.52 C ATOM 293 OD1 ASN A 7 10.519 -12.324 5.091 1.00 0.54 O ATOM 294 ND2 ASN A 7 10.413 -10.886 6.814 1.00 0.52 N ATOM 0 H ASN A 7 9.127 -8.559 2.413 1.00 0.44 H new ATOM 0 HA ASN A 7 9.164 -11.402 3.228 1.00 0.47 H new ATOM 0 HB2 ASN A 7 11.052 -9.737 4.096 1.00 0.48 H new ATOM 0 HB3 ASN A 7 9.776 -9.158 5.148 1.00 0.48 H new ATOM 0 HD21 ASN A 7 10.578 -11.623 7.499 1.00 0.52 H new ATOM 0 HD22 ASN A 7 10.282 -9.923 7.123 1.00 0.52 H new ATOM 301 N LEU A 8 6.926 -9.234 3.387 1.00 0.41 N ATOM 302 CA LEU A 8 5.570 -8.919 3.821 1.00 0.39 C ATOM 303 C LEU A 8 4.601 -10.036 3.446 1.00 0.40 C ATOM 304 O LEU A 8 4.856 -10.814 2.526 1.00 0.42 O ATOM 305 CB LEU A 8 5.105 -7.594 3.206 1.00 0.35 C ATOM 306 CG LEU A 8 4.319 -7.721 1.899 1.00 0.33 C ATOM 307 CD1 LEU A 8 2.822 -7.671 2.168 1.00 0.32 C ATOM 308 CD2 LEU A 8 4.719 -6.631 0.924 1.00 0.30 C ATOM 0 H LEU A 8 7.230 -8.735 2.551 1.00 0.41 H new ATOM 0 HA LEU A 8 5.580 -8.823 4.907 1.00 0.39 H new ATOM 0 HB2 LEU A 8 4.485 -7.072 3.935 1.00 0.35 H new ATOM 0 HB3 LEU A 8 5.980 -6.969 3.026 1.00 0.35 H new ATOM 0 HG LEU A 8 4.557 -8.686 1.451 1.00 0.33 H new ATOM 0 HD11 LEU A 8 2.280 -7.763 1.227 1.00 0.32 H new ATOM 0 HD12 LEU A 8 2.543 -8.492 2.829 1.00 0.32 H new ATOM 0 HD13 LEU A 8 2.569 -6.722 2.641 1.00 0.32 H new ATOM 0 HD21 LEU A 8 4.148 -6.740 0.002 1.00 0.30 H new ATOM 0 HD22 LEU A 8 4.514 -5.655 1.365 1.00 0.30 H new ATOM 0 HD23 LEU A 8 5.783 -6.713 0.704 1.00 0.30 H new ATOM 320 N LYS A 9 3.491 -10.104 4.167 1.00 0.40 N ATOM 321 CA LYS A 9 2.469 -11.108 3.912 1.00 0.42 C ATOM 322 C LYS A 9 1.076 -10.492 4.046 1.00 0.40 C ATOM 323 O LYS A 9 0.892 -9.526 4.787 1.00 0.39 O ATOM 324 CB LYS A 9 2.632 -12.290 4.863 1.00 0.46 C ATOM 325 CG LYS A 9 2.170 -12.010 6.283 1.00 0.47 C ATOM 326 CD LYS A 9 1.133 -13.023 6.740 1.00 0.50 C ATOM 327 CE LYS A 9 1.774 -14.158 7.523 1.00 0.54 C ATOM 328 NZ LYS A 9 1.443 -14.091 8.972 1.00 0.56 N ATOM 0 H LYS A 9 3.275 -9.472 4.938 1.00 0.40 H new ATOM 0 HA LYS A 9 2.586 -11.474 2.892 1.00 0.42 H new ATOM 0 HB2 LYS A 9 2.072 -13.139 4.470 1.00 0.46 H new ATOM 0 HB3 LYS A 9 3.682 -12.583 4.885 1.00 0.46 H new ATOM 0 HG2 LYS A 9 3.026 -12.035 6.957 1.00 0.47 H new ATOM 0 HG3 LYS A 9 1.749 -11.006 6.339 1.00 0.47 H new ATOM 0 HD2 LYS A 9 0.386 -12.527 7.360 1.00 0.50 H new ATOM 0 HD3 LYS A 9 0.610 -13.427 5.873 1.00 0.50 H new ATOM 0 HE2 LYS A 9 1.438 -15.113 7.118 1.00 0.54 H new ATOM 0 HE3 LYS A 9 2.856 -14.121 7.396 1.00 0.54 H new ATOM 0 HZ1 LYS A 9 1.899 -14.882 9.469 1.00 0.56 H new ATOM 0 HZ2 LYS A 9 1.786 -13.191 9.365 1.00 0.56 H new ATOM 0 HZ3 LYS A 9 0.412 -14.153 9.096 1.00 0.56 H new ATOM 342 N PRO A 10 0.076 -11.035 3.328 1.00 0.40 N ATOM 343 CA PRO A 10 -1.289 -10.514 3.371 1.00 0.39 C ATOM 344 C PRO A 10 -2.049 -10.940 4.627 1.00 0.41 C ATOM 345 O PRO A 10 -1.605 -11.827 5.358 1.00 0.45 O ATOM 346 CB PRO A 10 -1.933 -11.131 2.132 1.00 0.38 C ATOM 347 CG PRO A 10 -1.211 -12.420 1.934 1.00 0.42 C ATOM 348 CD PRO A 10 0.197 -12.200 2.427 1.00 0.42 C ATOM 0 HA PRO A 10 -1.305 -9.424 3.391 1.00 0.39 H new ATOM 0 HB2 PRO A 10 -3.001 -11.294 2.280 1.00 0.38 H new ATOM 0 HB3 PRO A 10 -1.827 -10.480 1.264 1.00 0.38 H new ATOM 0 HG2 PRO A 10 -1.695 -13.225 2.487 1.00 0.42 H new ATOM 0 HG3 PRO A 10 -1.214 -12.709 0.883 1.00 0.42 H new ATOM 0 HD2 PRO A 10 0.578 -13.075 2.953 1.00 0.42 H new ATOM 0 HD3 PRO A 10 0.883 -12.000 1.604 1.00 0.42 H new ATOM 356 N ASN A 11 -3.183 -10.281 4.872 1.00 0.41 N ATOM 357 CA ASN A 11 -4.038 -10.589 6.019 1.00 0.44 C ATOM 358 C ASN A 11 -3.412 -10.126 7.331 1.00 0.45 C ATOM 359 O ASN A 11 -3.664 -10.706 8.387 1.00 0.49 O ATOM 360 CB ASN A 11 -4.348 -12.090 6.080 1.00 0.47 C ATOM 361 CG ASN A 11 -5.706 -12.425 5.497 1.00 0.47 C ATOM 362 OD1 ASN A 11 -6.688 -12.574 6.224 1.00 0.50 O ATOM 363 ND2 ASN A 11 -5.771 -12.546 4.174 1.00 0.45 N ATOM 0 H ASN A 11 -3.533 -9.524 4.285 1.00 0.41 H new ATOM 0 HA ASN A 11 -4.971 -10.042 5.883 1.00 0.44 H new ATOM 0 HB2 ASN A 11 -3.578 -12.639 5.538 1.00 0.47 H new ATOM 0 HB3 ASN A 11 -4.308 -12.424 7.117 1.00 0.47 H new ATOM 0 HD21 ASN A 11 -6.659 -12.770 3.725 1.00 0.45 H new ATOM 0 HD22 ASN A 11 -4.933 -12.414 3.608 1.00 0.45 H new ATOM 370 N MET A 12 -2.598 -9.078 7.259 1.00 0.43 N ATOM 371 CA MET A 12 -1.953 -8.532 8.448 1.00 0.44 C ATOM 372 C MET A 12 -2.554 -7.179 8.807 1.00 0.43 C ATOM 373 O MET A 12 -2.587 -6.268 7.980 1.00 0.40 O ATOM 374 CB MET A 12 -0.448 -8.391 8.228 1.00 0.43 C ATOM 375 CG MET A 12 0.265 -9.719 8.041 1.00 0.45 C ATOM 376 SD MET A 12 1.860 -9.774 8.879 1.00 0.47 S ATOM 377 CE MET A 12 2.832 -8.701 7.826 1.00 0.43 C ATOM 0 H MET A 12 -2.370 -8.591 6.392 1.00 0.43 H new ATOM 0 HA MET A 12 -2.122 -9.224 9.273 1.00 0.44 H new ATOM 0 HB2 MET A 12 -0.274 -7.768 7.351 1.00 0.43 H new ATOM 0 HB3 MET A 12 -0.012 -7.870 9.080 1.00 0.43 H new ATOM 0 HG2 MET A 12 -0.367 -10.523 8.418 1.00 0.45 H new ATOM 0 HG3 MET A 12 0.412 -9.902 6.976 1.00 0.45 H new ATOM 0 HE1 MET A 12 3.704 -9.243 7.460 1.00 0.43 H new ATOM 0 HE2 MET A 12 2.226 -8.375 6.980 1.00 0.43 H new ATOM 0 HE3 MET A 12 3.158 -7.831 8.395 1.00 0.43 H new ATOM 387 N GLU A 13 -3.029 -7.053 10.040 1.00 0.47 N ATOM 388 CA GLU A 13 -3.633 -5.807 10.500 1.00 0.47 C ATOM 389 C GLU A 13 -2.563 -4.827 10.969 1.00 0.46 C ATOM 390 O GLU A 13 -2.863 -3.838 11.639 1.00 0.48 O ATOM 391 CB GLU A 13 -4.627 -6.079 11.631 1.00 0.51 C ATOM 392 CG GLU A 13 -5.204 -7.487 11.617 1.00 0.53 C ATOM 393 CD GLU A 13 -6.609 -7.547 12.186 1.00 0.56 C ATOM 394 OE1 GLU A 13 -7.400 -6.620 11.911 1.00 0.55 O ATOM 395 OE2 GLU A 13 -6.916 -8.519 12.906 1.00 0.59 O ATOM 0 H GLU A 13 -3.008 -7.796 10.739 1.00 0.47 H new ATOM 0 HA GLU A 13 -4.167 -5.361 9.661 1.00 0.47 H new ATOM 0 HB2 GLU A 13 -4.131 -5.909 12.587 1.00 0.51 H new ATOM 0 HB3 GLU A 13 -5.444 -5.361 11.564 1.00 0.51 H new ATOM 0 HG2 GLU A 13 -5.214 -7.861 10.593 1.00 0.53 H new ATOM 0 HG3 GLU A 13 -4.555 -8.148 12.192 1.00 0.53 H new ATOM 402 N SER A 14 -1.315 -5.107 10.610 1.00 0.45 N ATOM 403 CA SER A 14 -0.199 -4.251 10.989 1.00 0.44 C ATOM 404 C SER A 14 0.984 -4.472 10.055 1.00 0.41 C ATOM 405 O SER A 14 1.557 -5.560 10.010 1.00 0.42 O ATOM 406 CB SER A 14 0.218 -4.532 12.433 1.00 0.48 C ATOM 407 OG SER A 14 0.158 -5.918 12.722 1.00 0.50 O ATOM 0 H SER A 14 -1.051 -5.922 10.056 1.00 0.45 H new ATOM 0 HA SER A 14 -0.520 -3.212 10.908 1.00 0.44 H new ATOM 0 HB2 SER A 14 1.231 -4.166 12.600 1.00 0.48 H new ATOM 0 HB3 SER A 14 -0.434 -3.987 13.115 1.00 0.48 H new ATOM 0 HG SER A 14 0.573 -6.423 11.991 1.00 0.50 H new ATOM 413 N VAL A 15 1.348 -3.432 9.309 1.00 0.38 N ATOM 414 CA VAL A 15 2.463 -3.521 8.371 1.00 0.35 C ATOM 415 C VAL A 15 3.295 -2.241 8.364 1.00 0.34 C ATOM 416 O VAL A 15 2.840 -1.193 7.913 1.00 0.32 O ATOM 417 CB VAL A 15 1.984 -3.799 6.931 1.00 0.32 C ATOM 418 CG1 VAL A 15 2.965 -4.710 6.208 1.00 0.32 C ATOM 419 CG2 VAL A 15 0.587 -4.400 6.920 1.00 0.34 C ATOM 0 H VAL A 15 0.889 -2.521 9.336 1.00 0.38 H new ATOM 0 HA VAL A 15 3.076 -4.354 8.713 1.00 0.35 H new ATOM 0 HB VAL A 15 1.941 -2.846 6.403 1.00 0.32 H new ATOM 0 HG11 VAL A 15 2.610 -4.895 5.194 1.00 0.32 H new ATOM 0 HG12 VAL A 15 3.944 -4.232 6.169 1.00 0.32 H new ATOM 0 HG13 VAL A 15 3.044 -5.656 6.743 1.00 0.32 H new ATOM 0 HG21 VAL A 15 0.278 -4.584 5.891 1.00 0.34 H new ATOM 0 HG22 VAL A 15 0.591 -5.340 7.471 1.00 0.34 H new ATOM 0 HG23 VAL A 15 -0.111 -3.707 7.390 1.00 0.34 H new ATOM 429 N ASN A 16 4.519 -2.345 8.869 1.00 0.35 N ATOM 430 CA ASN A 16 5.438 -1.213 8.910 1.00 0.34 C ATOM 431 C ASN A 16 6.539 -1.414 7.877 1.00 0.33 C ATOM 432 O ASN A 16 7.184 -2.462 7.852 1.00 0.34 O ATOM 433 CB ASN A 16 6.040 -1.078 10.306 1.00 0.38 C ATOM 434 CG ASN A 16 5.784 0.286 10.917 1.00 0.39 C ATOM 435 OD1 ASN A 16 5.190 0.395 11.990 1.00 0.41 O ATOM 436 ND2 ASN A 16 6.233 1.334 10.237 1.00 0.37 N ATOM 0 H ASN A 16 4.900 -3.207 9.258 1.00 0.35 H new ATOM 0 HA ASN A 16 4.894 -0.298 8.677 1.00 0.34 H new ATOM 0 HB2 ASN A 16 5.622 -1.848 10.955 1.00 0.38 H new ATOM 0 HB3 ASN A 16 7.114 -1.254 10.254 1.00 0.38 H new ATOM 0 HD21 ASN A 16 6.091 2.277 10.600 1.00 0.37 H new ATOM 0 HD22 ASN A 16 6.720 1.197 9.351 1.00 0.37 H new ATOM 443 N VAL A 17 6.756 -0.418 7.023 1.00 0.30 N ATOM 444 CA VAL A 17 7.765 -0.543 5.979 1.00 0.29 C ATOM 445 C VAL A 17 8.201 0.814 5.419 1.00 0.27 C ATOM 446 O VAL A 17 7.441 1.778 5.438 1.00 0.26 O ATOM 447 CB VAL A 17 7.217 -1.421 4.833 1.00 0.27 C ATOM 448 CG1 VAL A 17 5.777 -1.038 4.523 1.00 0.25 C ATOM 449 CG2 VAL A 17 8.086 -1.325 3.585 1.00 0.27 C ATOM 0 H VAL A 17 6.255 0.471 7.032 1.00 0.30 H new ATOM 0 HA VAL A 17 8.642 -1.007 6.429 1.00 0.29 H new ATOM 0 HB VAL A 17 7.242 -2.460 5.163 1.00 0.27 H new ATOM 0 HG11 VAL A 17 5.400 -1.663 3.713 1.00 0.25 H new ATOM 0 HG12 VAL A 17 5.162 -1.185 5.411 1.00 0.25 H new ATOM 0 HG13 VAL A 17 5.736 0.009 4.222 1.00 0.25 H new ATOM 0 HG21 VAL A 17 7.668 -1.957 2.801 1.00 0.27 H new ATOM 0 HG22 VAL A 17 8.116 -0.291 3.241 1.00 0.27 H new ATOM 0 HG23 VAL A 17 9.097 -1.658 3.819 1.00 0.27 H new ATOM 459 N THR A 18 9.437 0.867 4.927 1.00 0.28 N ATOM 460 CA THR A 18 9.990 2.078 4.328 1.00 0.27 C ATOM 461 C THR A 18 10.272 1.832 2.851 1.00 0.26 C ATOM 462 O THR A 18 10.962 0.874 2.501 1.00 0.28 O ATOM 463 CB THR A 18 11.292 2.521 5.022 1.00 0.30 C ATOM 464 OG1 THR A 18 11.394 1.908 6.313 1.00 0.32 O ATOM 465 CG2 THR A 18 11.342 4.035 5.169 1.00 0.30 C ATOM 0 H THR A 18 10.080 0.075 4.932 1.00 0.28 H new ATOM 0 HA THR A 18 9.254 2.873 4.451 1.00 0.27 H new ATOM 0 HB THR A 18 12.131 2.205 4.402 1.00 0.30 H new ATOM 0 HG1 THR A 18 12.225 2.194 6.746 1.00 0.32 H new ATOM 0 HG21 THR A 18 12.271 4.322 5.662 1.00 0.30 H new ATOM 0 HG22 THR A 18 11.296 4.498 4.183 1.00 0.30 H new ATOM 0 HG23 THR A 18 10.495 4.371 5.767 1.00 0.30 H new ATOM 473 N VAL A 19 9.741 2.691 1.985 1.00 0.25 N ATOM 474 CA VAL A 19 9.928 2.528 0.547 1.00 0.25 C ATOM 475 C VAL A 19 9.966 3.871 -0.170 1.00 0.25 C ATOM 476 O VAL A 19 9.902 4.929 0.456 1.00 0.25 O ATOM 477 CB VAL A 19 8.798 1.675 -0.072 1.00 0.23 C ATOM 478 CG1 VAL A 19 8.811 0.262 0.490 1.00 0.24 C ATOM 479 CG2 VAL A 19 7.446 2.333 0.161 1.00 0.20 C ATOM 0 H VAL A 19 9.182 3.501 2.252 1.00 0.25 H new ATOM 0 HA VAL A 19 10.884 2.022 0.416 1.00 0.25 H new ATOM 0 HB VAL A 19 8.971 1.611 -1.146 1.00 0.23 H new ATOM 0 HG11 VAL A 19 8.006 -0.317 0.038 1.00 0.24 H new ATOM 0 HG12 VAL A 19 9.768 -0.210 0.266 1.00 0.24 H new ATOM 0 HG13 VAL A 19 8.669 0.299 1.570 1.00 0.24 H new ATOM 0 HG21 VAL A 19 6.661 1.719 -0.281 1.00 0.20 H new ATOM 0 HG22 VAL A 19 7.269 2.432 1.232 1.00 0.20 H new ATOM 0 HG23 VAL A 19 7.438 3.320 -0.301 1.00 0.20 H new ATOM 489 N ARG A 20 10.074 3.813 -1.494 1.00 0.26 N ATOM 490 CA ARG A 20 10.108 5.010 -2.323 1.00 0.27 C ATOM 491 C ARG A 20 8.935 5.009 -3.294 1.00 0.26 C ATOM 492 O ARG A 20 8.454 3.947 -3.694 1.00 0.25 O ATOM 493 CB ARG A 20 11.426 5.080 -3.097 1.00 0.30 C ATOM 494 CG ARG A 20 11.775 6.478 -3.578 1.00 0.32 C ATOM 495 CD ARG A 20 12.854 7.108 -2.714 1.00 0.34 C ATOM 496 NE ARG A 20 13.275 8.410 -3.225 1.00 0.36 N ATOM 497 CZ ARG A 20 14.485 8.656 -3.720 1.00 0.39 C ATOM 498 NH1 ARG A 20 15.396 7.692 -3.768 1.00 0.40 N ATOM 499 NH2 ARG A 20 14.786 9.868 -4.168 1.00 0.42 N ATOM 0 H ARG A 20 10.140 2.940 -2.018 1.00 0.26 H new ATOM 0 HA ARG A 20 10.032 5.884 -1.677 1.00 0.27 H new ATOM 0 HB2 ARG A 20 12.231 4.712 -2.461 1.00 0.30 H new ATOM 0 HB3 ARG A 20 11.369 4.413 -3.957 1.00 0.30 H new ATOM 0 HG2 ARG A 20 12.115 6.434 -4.613 1.00 0.32 H new ATOM 0 HG3 ARG A 20 10.882 7.103 -3.562 1.00 0.32 H new ATOM 0 HD2 ARG A 20 12.482 7.221 -1.696 1.00 0.34 H new ATOM 0 HD3 ARG A 20 13.715 6.442 -2.667 1.00 0.34 H new ATOM 0 HE ARG A 20 12.602 9.176 -3.201 1.00 0.36 H new ATOM 0 HH11 ARG A 20 15.169 6.759 -3.425 1.00 0.40 H new ATOM 0 HH12 ARG A 20 16.323 7.885 -4.148 1.00 0.40 H new ATOM 0 HH21 ARG A 20 14.089 10.612 -4.133 1.00 0.42 H new ATOM 0 HH22 ARG A 20 15.714 10.056 -4.547 1.00 0.42 H new ATOM 513 N VAL A 21 8.477 6.196 -3.669 1.00 0.26 N ATOM 514 CA VAL A 21 7.353 6.314 -4.589 1.00 0.26 C ATOM 515 C VAL A 21 7.758 5.939 -6.012 1.00 0.28 C ATOM 516 O VAL A 21 8.728 6.464 -6.554 1.00 0.31 O ATOM 517 CB VAL A 21 6.768 7.738 -4.589 1.00 0.27 C ATOM 518 CG1 VAL A 21 5.485 7.790 -5.405 1.00 0.27 C ATOM 519 CG2 VAL A 21 6.522 8.214 -3.165 1.00 0.27 C ATOM 0 H VAL A 21 8.863 7.086 -3.353 1.00 0.26 H new ATOM 0 HA VAL A 21 6.590 5.619 -4.239 1.00 0.26 H new ATOM 0 HB VAL A 21 7.492 8.408 -5.052 1.00 0.27 H new ATOM 0 HG11 VAL A 21 5.087 8.805 -5.393 1.00 0.27 H new ATOM 0 HG12 VAL A 21 5.695 7.495 -6.433 1.00 0.27 H new ATOM 0 HG13 VAL A 21 4.752 7.108 -4.975 1.00 0.27 H new ATOM 0 HG21 VAL A 21 6.108 9.222 -3.185 1.00 0.27 H new ATOM 0 HG22 VAL A 21 5.818 7.543 -2.673 1.00 0.27 H new ATOM 0 HG23 VAL A 21 7.463 8.219 -2.615 1.00 0.27 H new ATOM 529 N LEU A 22 7.013 5.015 -6.601 1.00 0.27 N ATOM 530 CA LEU A 22 7.274 4.571 -7.961 1.00 0.30 C ATOM 531 C LEU A 22 6.241 5.157 -8.914 1.00 0.31 C ATOM 532 O LEU A 22 6.480 5.274 -10.117 1.00 0.34 O ATOM 533 CB LEU A 22 7.257 3.045 -8.027 1.00 0.30 C ATOM 534 CG LEU A 22 8.081 2.332 -6.950 1.00 0.29 C ATOM 535 CD1 LEU A 22 8.107 0.833 -7.199 1.00 0.30 C ATOM 536 CD2 LEU A 22 9.499 2.888 -6.898 1.00 0.32 C ATOM 0 H LEU A 22 6.219 4.556 -6.155 1.00 0.27 H new ATOM 0 HA LEU A 22 8.261 4.922 -8.263 1.00 0.30 H new ATOM 0 HB2 LEU A 22 6.224 2.706 -7.953 1.00 0.30 H new ATOM 0 HB3 LEU A 22 7.625 2.736 -9.006 1.00 0.30 H new ATOM 0 HG LEU A 22 7.606 2.513 -5.986 1.00 0.29 H new ATOM 0 HD11 LEU A 22 8.697 0.345 -6.423 1.00 0.30 H new ATOM 0 HD12 LEU A 22 7.089 0.443 -7.179 1.00 0.30 H new ATOM 0 HD13 LEU A 22 8.553 0.634 -8.173 1.00 0.30 H new ATOM 0 HD21 LEU A 22 10.066 2.367 -6.126 1.00 0.32 H new ATOM 0 HD22 LEU A 22 9.982 2.743 -7.864 1.00 0.32 H new ATOM 0 HD23 LEU A 22 9.464 3.953 -6.666 1.00 0.32 H new ATOM 548 N GLU A 23 5.089 5.521 -8.359 1.00 0.29 N ATOM 549 CA GLU A 23 3.999 6.097 -9.138 1.00 0.30 C ATOM 550 C GLU A 23 2.994 6.778 -8.220 1.00 0.28 C ATOM 551 O GLU A 23 3.029 6.592 -7.001 1.00 0.25 O ATOM 552 CB GLU A 23 3.305 5.017 -9.969 1.00 0.29 C ATOM 553 CG GLU A 23 2.641 5.552 -11.230 1.00 0.32 C ATOM 554 CD GLU A 23 3.402 5.191 -12.488 1.00 0.36 C ATOM 555 OE1 GLU A 23 4.505 5.740 -12.693 1.00 0.38 O ATOM 556 OE2 GLU A 23 2.896 4.359 -13.271 1.00 0.36 O ATOM 0 H GLU A 23 4.886 5.426 -7.364 1.00 0.29 H new ATOM 0 HA GLU A 23 4.417 6.842 -9.815 1.00 0.30 H new ATOM 0 HB2 GLU A 23 4.036 4.258 -10.247 1.00 0.29 H new ATOM 0 HB3 GLU A 23 2.553 4.524 -9.353 1.00 0.29 H new ATOM 0 HG2 GLU A 23 1.627 5.157 -11.297 1.00 0.32 H new ATOM 0 HG3 GLU A 23 2.557 6.636 -11.160 1.00 0.32 H new ATOM 563 N ALA A 24 2.096 7.564 -8.803 1.00 0.30 N ATOM 564 CA ALA A 24 1.086 8.271 -8.024 1.00 0.29 C ATOM 565 C ALA A 24 -0.054 8.760 -8.907 1.00 0.32 C ATOM 566 O ALA A 24 0.171 9.437 -9.910 1.00 0.35 O ATOM 567 CB ALA A 24 1.721 9.439 -7.284 1.00 0.31 C ATOM 0 H ALA A 24 2.046 7.727 -9.809 1.00 0.30 H new ATOM 0 HA ALA A 24 0.669 7.573 -7.298 1.00 0.29 H new ATOM 0 HB1 ALA A 24 0.959 9.961 -6.705 1.00 0.31 H new ATOM 0 HB2 ALA A 24 2.495 9.067 -6.613 1.00 0.31 H new ATOM 0 HB3 ALA A 24 2.165 10.127 -8.003 1.00 0.31 H new ATOM 573 N SER A 25 -1.282 8.413 -8.527 1.00 0.30 N ATOM 574 CA SER A 25 -2.461 8.823 -9.281 1.00 0.33 C ATOM 575 C SER A 25 -3.307 9.795 -8.464 1.00 0.35 C ATOM 576 O SER A 25 -3.285 9.767 -7.234 1.00 0.33 O ATOM 577 CB SER A 25 -3.294 7.603 -9.674 1.00 0.31 C ATOM 578 OG SER A 25 -3.792 7.731 -10.996 1.00 0.33 O ATOM 0 H SER A 25 -1.485 7.849 -7.702 1.00 0.30 H new ATOM 0 HA SER A 25 -2.129 9.327 -10.188 1.00 0.33 H new ATOM 0 HB2 SER A 25 -2.685 6.702 -9.597 1.00 0.31 H new ATOM 0 HB3 SER A 25 -4.125 7.486 -8.978 1.00 0.31 H new ATOM 0 HG SER A 25 -4.320 6.938 -11.225 1.00 0.33 H new ATOM 584 N GLU A 26 -4.050 10.654 -9.157 1.00 0.38 N ATOM 585 CA GLU A 26 -4.900 11.636 -8.494 1.00 0.41 C ATOM 586 C GLU A 26 -6.028 10.953 -7.728 1.00 0.39 C ATOM 587 O GLU A 26 -6.371 9.803 -8.004 1.00 0.37 O ATOM 588 CB GLU A 26 -5.480 12.613 -9.519 1.00 0.44 C ATOM 589 CG GLU A 26 -4.447 13.170 -10.483 1.00 0.46 C ATOM 590 CD GLU A 26 -3.497 14.148 -9.820 1.00 0.47 C ATOM 591 OE1 GLU A 26 -3.980 15.148 -9.247 1.00 0.50 O ATOM 592 OE2 GLU A 26 -2.271 13.915 -9.873 1.00 0.46 O ATOM 0 H GLU A 26 -4.080 10.689 -10.176 1.00 0.38 H new ATOM 0 HA GLU A 26 -4.287 12.188 -7.782 1.00 0.41 H new ATOM 0 HB2 GLU A 26 -6.260 12.108 -10.088 1.00 0.44 H new ATOM 0 HB3 GLU A 26 -5.955 13.440 -8.991 1.00 0.44 H new ATOM 0 HG2 GLU A 26 -3.875 12.347 -10.911 1.00 0.46 H new ATOM 0 HG3 GLU A 26 -4.957 13.667 -11.308 1.00 0.46 H new ATOM 599 N ALA A 27 -6.481 11.612 -6.687 1.00 0.41 N ATOM 600 CA ALA A 27 -7.485 11.053 -5.810 1.00 0.41 C ATOM 601 C ALA A 27 -8.886 11.081 -6.428 1.00 0.44 C ATOM 602 O ALA A 27 -9.368 12.121 -6.878 1.00 0.48 O ATOM 603 CB ALA A 27 -7.376 11.766 -4.478 1.00 0.43 C ATOM 0 H ALA A 27 -6.166 12.546 -6.424 1.00 0.41 H new ATOM 0 HA ALA A 27 -7.305 9.990 -5.651 1.00 0.41 H new ATOM 0 HB1 ALA A 27 -8.122 11.368 -3.790 1.00 0.43 H new ATOM 0 HB2 ALA A 27 -6.380 11.611 -4.063 1.00 0.43 H new ATOM 0 HB3 ALA A 27 -7.548 12.833 -4.621 1.00 0.43 H new ATOM 609 N ARG A 28 -9.528 9.903 -6.434 1.00 0.41 N ATOM 610 CA ARG A 28 -10.852 9.721 -7.037 1.00 0.43 C ATOM 611 C ARG A 28 -11.819 8.991 -6.090 1.00 0.43 C ATOM 612 O ARG A 28 -11.404 8.254 -5.200 1.00 0.44 O ATOM 613 CB ARG A 28 -10.683 8.942 -8.360 1.00 0.42 C ATOM 614 CG ARG A 28 -11.856 8.045 -8.744 1.00 0.56 C ATOM 615 CD ARG A 28 -11.434 6.586 -8.876 1.00 0.65 C ATOM 616 NE ARG A 28 -12.578 5.702 -9.106 1.00 0.86 N ATOM 617 CZ ARG A 28 -12.537 4.376 -8.966 1.00 1.02 C ATOM 618 NH1 ARG A 28 -11.410 3.771 -8.610 1.00 1.03 N ATOM 619 NH2 ARG A 28 -13.628 3.653 -9.180 1.00 1.24 N ATOM 0 H ARG A 28 -9.143 9.053 -6.021 1.00 0.41 H new ATOM 0 HA ARG A 28 -11.291 10.699 -7.232 1.00 0.43 H new ATOM 0 HB2 ARG A 28 -10.516 9.658 -9.165 1.00 0.42 H new ATOM 0 HB3 ARG A 28 -9.786 8.328 -8.288 1.00 0.42 H new ATOM 0 HG2 ARG A 28 -12.640 8.130 -7.991 1.00 0.56 H new ATOM 0 HG3 ARG A 28 -12.281 8.387 -9.687 1.00 0.56 H new ATOM 0 HD2 ARG A 28 -10.728 6.486 -9.700 1.00 0.65 H new ATOM 0 HD3 ARG A 28 -10.913 6.276 -7.970 1.00 0.65 H new ATOM 0 HE ARG A 28 -13.461 6.126 -9.391 1.00 0.86 H new ATOM 0 HH11 ARG A 28 -10.567 4.321 -8.441 1.00 1.03 H new ATOM 0 HH12 ARG A 28 -11.387 2.757 -8.505 1.00 1.03 H new ATOM 0 HH21 ARG A 28 -14.498 4.111 -9.452 1.00 1.24 H new ATOM 0 HH22 ARG A 28 -13.597 2.639 -9.073 1.00 1.24 H new ATOM 633 N GLN A 29 -13.115 9.208 -6.305 1.00 0.45 N ATOM 634 CA GLN A 29 -14.163 8.588 -5.499 1.00 0.46 C ATOM 635 C GLN A 29 -14.518 7.195 -6.007 1.00 0.44 C ATOM 636 O GLN A 29 -14.593 6.961 -7.212 1.00 0.43 O ATOM 637 CB GLN A 29 -15.424 9.452 -5.528 1.00 0.51 C ATOM 638 CG GLN A 29 -15.317 10.712 -4.699 1.00 0.54 C ATOM 639 CD GLN A 29 -16.597 11.527 -4.701 1.00 0.61 C ATOM 640 OE1 GLN A 29 -16.784 12.407 -5.541 1.00 0.74 O ATOM 641 NE2 GLN A 29 -17.486 11.241 -3.757 1.00 0.84 N ATOM 0 H GLN A 29 -13.467 9.818 -7.042 1.00 0.45 H new ATOM 0 HA GLN A 29 -13.781 8.502 -4.482 1.00 0.46 H new ATOM 0 HB2 GLN A 29 -15.643 9.724 -6.560 1.00 0.51 H new ATOM 0 HB3 GLN A 29 -16.267 8.862 -5.168 1.00 0.51 H new ATOM 0 HG2 GLN A 29 -15.063 10.446 -3.673 1.00 0.54 H new ATOM 0 HG3 GLN A 29 -14.501 11.325 -5.081 1.00 0.54 H new ATOM 0 HE21 GLN A 29 -17.291 10.503 -3.080 1.00 0.84 H new ATOM 0 HE22 GLN A 29 -18.363 11.759 -3.709 1.00 0.84 H new ATOM 650 N ILE A 30 -14.742 6.273 -5.075 1.00 0.43 N ATOM 651 CA ILE A 30 -15.123 4.913 -5.421 1.00 0.40 C ATOM 652 C ILE A 30 -16.457 4.573 -4.757 1.00 0.42 C ATOM 653 O ILE A 30 -16.868 5.227 -3.801 1.00 0.45 O ATOM 654 CB ILE A 30 -14.063 3.879 -4.977 1.00 0.38 C ATOM 655 CG1 ILE A 30 -14.102 3.715 -3.464 1.00 0.39 C ATOM 656 CG2 ILE A 30 -12.667 4.289 -5.432 1.00 0.35 C ATOM 657 CD1 ILE A 30 -13.433 2.449 -2.974 1.00 0.39 C ATOM 0 H ILE A 30 -14.665 6.447 -4.073 1.00 0.43 H new ATOM 0 HA ILE A 30 -15.208 4.863 -6.507 1.00 0.40 H new ATOM 0 HB ILE A 30 -14.298 2.924 -5.447 1.00 0.38 H new ATOM 0 HG12 ILE A 30 -13.617 4.575 -3.001 1.00 0.39 H new ATOM 0 HG13 ILE A 30 -15.141 3.718 -3.133 1.00 0.39 H new ATOM 0 HG21 ILE A 30 -11.944 3.542 -5.105 1.00 0.35 H new ATOM 0 HG22 ILE A 30 -12.646 4.363 -6.519 1.00 0.35 H new ATOM 0 HG23 ILE A 30 -12.412 5.256 -4.998 1.00 0.35 H new ATOM 0 HD11 ILE A 30 -13.499 2.400 -1.887 1.00 0.39 H new ATOM 0 HD12 ILE A 30 -13.932 1.582 -3.408 1.00 0.39 H new ATOM 0 HD13 ILE A 30 -12.385 2.452 -3.274 1.00 0.39 H new ATOM 669 N GLN A 31 -17.119 3.546 -5.259 1.00 0.41 N ATOM 670 CA GLN A 31 -18.402 3.117 -4.718 1.00 0.44 C ATOM 671 C GLN A 31 -18.281 1.741 -4.076 1.00 0.43 C ATOM 672 O GLN A 31 -18.060 0.741 -4.760 1.00 0.42 O ATOM 673 CB GLN A 31 -19.467 3.090 -5.818 1.00 0.44 C ATOM 674 CG GLN A 31 -19.954 4.469 -6.233 1.00 0.47 C ATOM 675 CD GLN A 31 -20.917 4.417 -7.402 1.00 0.50 C ATOM 676 OE1 GLN A 31 -22.128 4.290 -7.220 1.00 0.53 O ATOM 677 NE2 GLN A 31 -20.382 4.518 -8.613 1.00 0.50 N ATOM 0 H GLN A 31 -16.788 2.988 -6.046 1.00 0.41 H new ATOM 0 HA GLN A 31 -18.704 3.833 -3.954 1.00 0.44 H new ATOM 0 HB2 GLN A 31 -19.061 2.580 -6.692 1.00 0.44 H new ATOM 0 HB3 GLN A 31 -20.318 2.503 -5.473 1.00 0.44 H new ATOM 0 HG2 GLN A 31 -20.443 4.949 -5.385 1.00 0.47 H new ATOM 0 HG3 GLN A 31 -19.097 5.088 -6.499 1.00 0.47 H new ATOM 0 HE21 GLN A 31 -19.373 4.622 -8.718 1.00 0.50 H new ATOM 0 HE22 GLN A 31 -20.980 4.492 -9.439 1.00 0.50 H new ATOM 686 N THR A 32 -18.420 1.700 -2.757 1.00 0.45 N ATOM 687 CA THR A 32 -18.332 0.449 -2.011 1.00 0.46 C ATOM 688 C THR A 32 -19.702 0.004 -1.532 1.00 0.50 C ATOM 689 O THR A 32 -20.721 0.603 -1.879 1.00 0.53 O ATOM 690 CB THR A 32 -17.400 0.577 -0.794 1.00 0.45 C ATOM 691 OG1 THR A 32 -17.914 1.554 0.116 1.00 0.48 O ATOM 692 CG2 THR A 32 -15.998 0.960 -1.232 1.00 0.42 C ATOM 0 H THR A 32 -18.595 2.522 -2.179 1.00 0.45 H new ATOM 0 HA THR A 32 -17.922 -0.294 -2.695 1.00 0.46 H new ATOM 0 HB THR A 32 -17.353 -0.389 -0.291 1.00 0.45 H new ATOM 0 HG1 THR A 32 -18.533 2.149 -0.357 1.00 0.48 H new ATOM 0 HG21 THR A 32 -15.354 1.046 -0.357 1.00 0.42 H new ATOM 0 HG22 THR A 32 -15.603 0.194 -1.899 1.00 0.42 H new ATOM 0 HG23 THR A 32 -16.029 1.916 -1.755 1.00 0.42 H new ATOM 700 N LYS A 33 -19.717 -1.052 -0.730 1.00 0.50 N ATOM 701 CA LYS A 33 -20.956 -1.580 -0.188 1.00 0.54 C ATOM 702 C LYS A 33 -21.365 -0.809 1.065 1.00 0.57 C ATOM 703 O LYS A 33 -22.460 -0.997 1.595 1.00 0.61 O ATOM 704 CB LYS A 33 -20.800 -3.065 0.140 1.00 0.55 C ATOM 705 CG LYS A 33 -19.790 -3.340 1.243 1.00 0.55 C ATOM 706 CD LYS A 33 -19.936 -4.745 1.799 1.00 0.55 C ATOM 707 CE LYS A 33 -19.152 -4.912 3.090 1.00 0.60 C ATOM 708 NZ LYS A 33 -19.337 -6.266 3.680 1.00 0.56 N ATOM 0 H LYS A 33 -18.881 -1.560 -0.441 1.00 0.50 H new ATOM 0 HA LYS A 33 -21.737 -1.463 -0.939 1.00 0.54 H new ATOM 0 HB2 LYS A 33 -21.769 -3.467 0.437 1.00 0.55 H new ATOM 0 HB3 LYS A 33 -20.496 -3.598 -0.761 1.00 0.55 H new ATOM 0 HG2 LYS A 33 -18.781 -3.205 0.854 1.00 0.55 H new ATOM 0 HG3 LYS A 33 -19.922 -2.615 2.046 1.00 0.55 H new ATOM 0 HD2 LYS A 33 -20.989 -4.959 1.980 1.00 0.55 H new ATOM 0 HD3 LYS A 33 -19.586 -5.468 1.062 1.00 0.55 H new ATOM 0 HE2 LYS A 33 -18.093 -4.742 2.896 1.00 0.60 H new ATOM 0 HE3 LYS A 33 -19.470 -4.156 3.808 1.00 0.60 H new ATOM 0 HZ1 LYS A 33 -18.786 -6.340 4.559 1.00 0.56 H new ATOM 0 HZ2 LYS A 33 -20.344 -6.419 3.889 1.00 0.56 H new ATOM 0 HZ3 LYS A 33 -19.010 -6.986 3.005 1.00 0.56 H new ATOM 722 N ASN A 34 -20.469 0.060 1.531 1.00 0.55 N ATOM 723 CA ASN A 34 -20.724 0.861 2.725 1.00 0.58 C ATOM 724 C ASN A 34 -20.943 2.326 2.361 1.00 0.60 C ATOM 725 O ASN A 34 -21.072 3.181 3.240 1.00 0.63 O ATOM 726 CB ASN A 34 -19.560 0.739 3.712 1.00 0.56 C ATOM 727 CG ASN A 34 -19.271 -0.698 4.104 1.00 0.57 C ATOM 728 OD1 ASN A 34 -18.434 -1.362 3.496 1.00 0.54 O ATOM 729 ND2 ASN A 34 -19.966 -1.184 5.126 1.00 0.64 N ATOM 0 H ASN A 34 -19.560 0.227 1.099 1.00 0.55 H new ATOM 0 HA ASN A 34 -21.630 0.481 3.196 1.00 0.58 H new ATOM 0 HB2 ASN A 34 -18.666 1.177 3.268 1.00 0.56 H new ATOM 0 HB3 ASN A 34 -19.787 1.317 4.608 1.00 0.56 H new ATOM 0 HD21 ASN A 34 -19.815 -2.144 5.435 1.00 0.64 H new ATOM 0 HD22 ASN A 34 -20.651 -0.597 5.602 1.00 0.64 H new ATOM 736 N GLY A 35 -20.980 2.612 1.064 1.00 0.59 N ATOM 737 CA GLY A 35 -21.185 3.976 0.609 1.00 0.61 C ATOM 738 C GLY A 35 -20.083 4.454 -0.312 1.00 0.57 C ATOM 739 O GLY A 35 -19.482 3.660 -1.031 1.00 0.53 O ATOM 0 H GLY A 35 -20.872 1.924 0.319 1.00 0.59 H new ATOM 0 HA2 GLY A 35 -22.141 4.042 0.090 1.00 0.61 H new ATOM 0 HA3 GLY A 35 -21.244 4.638 1.473 1.00 0.61 H new ATOM 743 N VAL A 36 -19.814 5.755 -0.298 1.00 0.59 N ATOM 744 CA VAL A 36 -18.773 6.314 -1.149 1.00 0.56 C ATOM 745 C VAL A 36 -17.613 6.888 -0.328 1.00 0.55 C ATOM 746 O VAL A 36 -17.804 7.499 0.724 1.00 0.59 O ATOM 747 CB VAL A 36 -19.340 7.375 -2.121 1.00 0.57 C ATOM 748 CG1 VAL A 36 -20.029 8.506 -1.369 1.00 0.61 C ATOM 749 CG2 VAL A 36 -18.251 7.922 -3.029 1.00 0.56 C ATOM 0 H VAL A 36 -20.298 6.436 0.288 1.00 0.59 H new ATOM 0 HA VAL A 36 -18.379 5.492 -1.746 1.00 0.56 H new ATOM 0 HB VAL A 36 -20.087 6.882 -2.743 1.00 0.57 H new ATOM 0 HG11 VAL A 36 -20.416 9.234 -2.082 1.00 0.61 H new ATOM 0 HG12 VAL A 36 -20.852 8.102 -0.779 1.00 0.61 H new ATOM 0 HG13 VAL A 36 -19.313 8.992 -0.707 1.00 0.61 H new ATOM 0 HG21 VAL A 36 -18.678 8.666 -3.702 1.00 0.56 H new ATOM 0 HG22 VAL A 36 -17.471 8.385 -2.424 1.00 0.56 H new ATOM 0 HG23 VAL A 36 -17.822 7.108 -3.613 1.00 0.56 H new ATOM 759 N ARG A 37 -16.410 6.651 -0.836 1.00 0.52 N ATOM 760 CA ARG A 37 -15.167 7.090 -0.218 1.00 0.51 C ATOM 761 C ARG A 37 -14.216 7.623 -1.269 1.00 0.49 C ATOM 762 O ARG A 37 -14.442 7.451 -2.464 1.00 0.47 O ATOM 763 CB ARG A 37 -14.555 5.994 0.590 1.00 0.49 C ATOM 764 CG ARG A 37 -14.627 4.617 -0.044 1.00 0.47 C ATOM 765 CD ARG A 37 -15.913 3.921 0.354 1.00 0.52 C ATOM 766 NE ARG A 37 -15.809 3.272 1.661 1.00 0.49 N ATOM 767 CZ ARG A 37 -16.728 3.373 2.624 1.00 0.53 C ATOM 768 NH1 ARG A 37 -17.854 4.042 2.410 1.00 0.65 N ATOM 769 NH2 ARG A 37 -16.522 2.795 3.801 1.00 0.56 N ATOM 0 H ARG A 37 -16.269 6.138 -1.706 1.00 0.52 H new ATOM 0 HA ARG A 37 -15.387 7.906 0.471 1.00 0.51 H new ATOM 0 HB2 ARG A 37 -13.509 6.239 0.775 1.00 0.49 H new ATOM 0 HB3 ARG A 37 -15.050 5.958 1.560 1.00 0.49 H new ATOM 0 HG2 ARG A 37 -14.574 4.706 -1.129 1.00 0.47 H new ATOM 0 HG3 ARG A 37 -13.770 4.020 0.269 1.00 0.47 H new ATOM 0 HD2 ARG A 37 -16.726 4.647 0.375 1.00 0.52 H new ATOM 0 HD3 ARG A 37 -16.170 3.177 -0.400 1.00 0.52 H new ATOM 0 HE ARG A 37 -14.981 2.706 1.848 1.00 0.49 H new ATOM 0 HH11 ARG A 37 -18.021 4.483 1.505 1.00 0.65 H new ATOM 0 HH12 ARG A 37 -18.552 4.115 3.150 1.00 0.65 H new ATOM 0 HH21 ARG A 37 -15.662 2.274 3.970 1.00 0.56 H new ATOM 0 HH22 ARG A 37 -17.224 2.872 4.537 1.00 0.56 H new ATOM 783 N THR A 38 -13.154 8.270 -0.825 1.00 0.48 N ATOM 784 CA THR A 38 -12.210 8.892 -1.737 1.00 0.46 C ATOM 785 C THR A 38 -10.852 8.282 -1.588 1.00 0.42 C ATOM 786 O THR A 38 -10.158 8.527 -0.618 1.00 0.42 O ATOM 787 CB THR A 38 -12.094 10.399 -1.482 1.00 0.50 C ATOM 788 OG1 THR A 38 -12.203 10.670 -0.078 1.00 0.53 O ATOM 789 CG2 THR A 38 -13.156 11.175 -2.235 1.00 0.53 C ATOM 0 H THR A 38 -12.923 8.379 0.162 1.00 0.48 H new ATOM 0 HA THR A 38 -12.587 8.726 -2.746 1.00 0.46 H new ATOM 0 HB THR A 38 -11.118 10.722 -1.844 1.00 0.50 H new ATOM 0 HG1 THR A 38 -12.126 11.635 0.076 1.00 0.53 H new ATOM 0 HG21 THR A 38 -13.043 12.240 -2.030 1.00 0.53 H new ATOM 0 HG22 THR A 38 -13.046 10.998 -3.305 1.00 0.53 H new ATOM 0 HG23 THR A 38 -14.144 10.847 -1.912 1.00 0.53 H new ATOM 797 N ILE A 39 -10.460 7.506 -2.560 1.00 0.39 N ATOM 798 CA ILE A 39 -9.183 6.849 -2.497 1.00 0.35 C ATOM 799 C ILE A 39 -8.377 7.051 -3.755 1.00 0.33 C ATOM 800 O ILE A 39 -8.837 7.646 -4.728 1.00 0.36 O ATOM 801 CB ILE A 39 -9.371 5.358 -2.279 1.00 0.33 C ATOM 802 CG1 ILE A 39 -10.295 4.794 -3.334 1.00 0.33 C ATOM 803 CG2 ILE A 39 -9.949 5.111 -0.915 1.00 0.35 C ATOM 804 CD1 ILE A 39 -9.897 3.411 -3.772 1.00 0.29 C ATOM 0 H ILE A 39 -11.003 7.313 -3.402 1.00 0.39 H new ATOM 0 HA ILE A 39 -8.640 7.293 -1.662 1.00 0.35 H new ATOM 0 HB ILE A 39 -8.402 4.864 -2.353 1.00 0.33 H new ATOM 0 HG12 ILE A 39 -11.313 4.769 -2.945 1.00 0.33 H new ATOM 0 HG13 ILE A 39 -10.301 5.457 -4.199 1.00 0.33 H new ATOM 0 HG21 ILE A 39 -10.082 4.040 -0.765 1.00 0.35 H new ATOM 0 HG22 ILE A 39 -9.272 5.503 -0.156 1.00 0.35 H new ATOM 0 HG23 ILE A 39 -10.914 5.611 -0.833 1.00 0.35 H new ATOM 0 HD11 ILE A 39 -10.594 3.055 -4.530 1.00 0.29 H new ATOM 0 HD12 ILE A 39 -8.890 3.437 -4.189 1.00 0.29 H new ATOM 0 HD13 ILE A 39 -9.918 2.738 -2.915 1.00 0.29 H new ATOM 816 N SER A 40 -7.169 6.547 -3.722 1.00 0.29 N ATOM 817 CA SER A 40 -6.284 6.647 -4.853 1.00 0.28 C ATOM 818 C SER A 40 -5.301 5.505 -4.838 1.00 0.24 C ATOM 819 O SER A 40 -5.164 4.798 -3.838 1.00 0.22 O ATOM 820 CB SER A 40 -5.541 7.969 -4.831 1.00 0.30 C ATOM 821 OG SER A 40 -4.918 8.204 -6.071 1.00 0.30 O ATOM 0 H SER A 40 -6.775 6.060 -2.917 1.00 0.29 H new ATOM 0 HA SER A 40 -6.878 6.597 -5.765 1.00 0.28 H new ATOM 0 HB2 SER A 40 -6.235 8.779 -4.606 1.00 0.30 H new ATOM 0 HB3 SER A 40 -4.794 7.960 -4.038 1.00 0.30 H new ATOM 0 HG SER A 40 -4.285 8.947 -5.984 1.00 0.30 H new ATOM 827 N GLU A 41 -4.612 5.334 -5.944 1.00 0.23 N ATOM 828 CA GLU A 41 -3.653 4.274 -6.060 1.00 0.20 C ATOM 829 C GLU A 41 -2.278 4.828 -6.411 1.00 0.20 C ATOM 830 O GLU A 41 -2.149 5.722 -7.245 1.00 0.24 O ATOM 831 CB GLU A 41 -4.135 3.282 -7.113 1.00 0.21 C ATOM 832 CG GLU A 41 -3.602 1.870 -6.931 1.00 0.21 C ATOM 833 CD GLU A 41 -2.903 1.340 -8.165 1.00 0.35 C ATOM 834 OE1 GLU A 41 -3.416 1.559 -9.282 1.00 0.48 O ATOM 835 OE2 GLU A 41 -1.842 0.703 -8.013 1.00 0.53 O ATOM 0 H GLU A 41 -4.703 5.920 -6.774 1.00 0.23 H new ATOM 0 HA GLU A 41 -3.559 3.759 -5.104 1.00 0.20 H new ATOM 0 HB2 GLU A 41 -5.224 3.252 -7.096 1.00 0.21 H new ATOM 0 HB3 GLU A 41 -3.842 3.645 -8.098 1.00 0.21 H new ATOM 0 HG2 GLU A 41 -2.907 1.855 -6.091 1.00 0.21 H new ATOM 0 HG3 GLU A 41 -4.427 1.206 -6.674 1.00 0.21 H new ATOM 842 N ALA A 42 -1.256 4.293 -5.757 1.00 0.17 N ATOM 843 CA ALA A 42 0.114 4.736 -5.977 1.00 0.18 C ATOM 844 C ALA A 42 1.091 3.581 -5.810 1.00 0.17 C ATOM 845 O ALA A 42 1.032 2.848 -4.830 1.00 0.15 O ATOM 846 CB ALA A 42 0.451 5.856 -5.011 1.00 0.20 C ATOM 0 H ALA A 42 -1.351 3.548 -5.067 1.00 0.17 H new ATOM 0 HA ALA A 42 0.201 5.106 -6.999 1.00 0.18 H new ATOM 0 HB1 ALA A 42 1.477 6.185 -5.179 1.00 0.20 H new ATOM 0 HB2 ALA A 42 -0.229 6.692 -5.172 1.00 0.20 H new ATOM 0 HB3 ALA A 42 0.348 5.497 -3.987 1.00 0.20 H new ATOM 852 N ILE A 43 1.987 3.422 -6.773 1.00 0.19 N ATOM 853 CA ILE A 43 2.972 2.347 -6.732 1.00 0.20 C ATOM 854 C ILE A 43 4.224 2.740 -5.942 1.00 0.21 C ATOM 855 O ILE A 43 4.753 3.824 -6.099 1.00 0.23 O ATOM 856 CB ILE A 43 3.393 1.928 -8.161 1.00 0.23 C ATOM 857 CG1 ILE A 43 2.160 1.638 -9.020 1.00 0.24 C ATOM 858 CG2 ILE A 43 4.310 0.713 -8.130 1.00 0.25 C ATOM 859 CD1 ILE A 43 1.197 0.658 -8.387 1.00 0.21 C ATOM 0 H ILE A 43 2.054 4.024 -7.594 1.00 0.19 H new ATOM 0 HA ILE A 43 2.492 1.509 -6.227 1.00 0.20 H new ATOM 0 HB ILE A 43 3.944 2.758 -8.604 1.00 0.23 H new ATOM 0 HG12 ILE A 43 1.636 2.574 -9.216 1.00 0.24 H new ATOM 0 HG13 ILE A 43 2.483 1.245 -9.984 1.00 0.24 H new ATOM 0 HG21 ILE A 43 4.589 0.442 -9.148 1.00 0.25 H new ATOM 0 HG22 ILE A 43 5.207 0.949 -7.558 1.00 0.25 H new ATOM 0 HG23 ILE A 43 3.791 -0.123 -7.661 1.00 0.25 H new ATOM 0 HD11 ILE A 43 0.348 0.501 -9.052 1.00 0.21 H new ATOM 0 HD12 ILE A 43 1.704 -0.291 -8.216 1.00 0.21 H new ATOM 0 HD13 ILE A 43 0.844 1.057 -7.436 1.00 0.21 H new ATOM 871 N VAL A 44 4.612 1.862 -5.029 1.00 0.19 N ATOM 872 CA VAL A 44 5.814 1.986 -4.207 1.00 0.20 C ATOM 873 C VAL A 44 6.571 0.699 -4.228 1.00 0.22 C ATOM 874 O VAL A 44 6.080 -0.347 -4.653 1.00 0.23 O ATOM 875 CB VAL A 44 5.449 2.154 -2.696 1.00 0.21 C ATOM 876 CG1 VAL A 44 5.120 3.566 -2.333 1.00 0.27 C ATOM 877 CG2 VAL A 44 4.165 1.506 -2.523 1.00 0.16 C ATOM 0 H VAL A 44 4.083 1.013 -4.831 1.00 0.19 H new ATOM 0 HA VAL A 44 6.370 2.836 -4.602 1.00 0.20 H new ATOM 0 HB VAL A 44 6.290 1.778 -2.114 1.00 0.21 H new ATOM 0 HG11 VAL A 44 4.875 3.621 -1.272 1.00 0.27 H new ATOM 0 HG12 VAL A 44 5.979 4.205 -2.541 1.00 0.27 H new ATOM 0 HG13 VAL A 44 4.266 3.903 -2.921 1.00 0.27 H new ATOM 0 HG21 VAL A 44 3.853 1.589 -1.482 1.00 0.16 H new ATOM 0 HG22 VAL A 44 3.425 1.987 -3.163 1.00 0.16 H new ATOM 0 HG23 VAL A 44 4.249 0.453 -2.794 1.00 0.16 H new ATOM 887 N GLY A 45 7.759 0.802 -3.746 1.00 0.24 N ATOM 888 CA GLY A 45 8.557 -0.386 -3.500 1.00 0.26 C ATOM 889 C GLY A 45 9.975 -0.067 -3.064 1.00 0.29 C ATOM 890 O GLY A 45 10.404 1.086 -3.114 1.00 0.29 O ATOM 0 H GLY A 45 8.214 1.684 -3.509 1.00 0.24 H new ATOM 0 HA2 GLY A 45 8.073 -0.989 -2.732 1.00 0.26 H new ATOM 0 HA3 GLY A 45 8.589 -0.990 -4.407 1.00 0.26 H new ATOM 894 N ASP A 46 10.701 -1.097 -2.641 1.00 0.31 N ATOM 895 CA ASP A 46 12.079 -0.933 -2.192 1.00 0.34 C ATOM 896 C ASP A 46 13.001 -1.902 -2.924 1.00 0.38 C ATOM 897 O ASP A 46 12.629 -2.472 -3.949 1.00 0.39 O ATOM 898 CB ASP A 46 12.180 -1.155 -0.681 1.00 0.33 C ATOM 899 CG ASP A 46 11.645 -2.508 -0.253 1.00 0.34 C ATOM 900 OD1 ASP A 46 11.244 -3.298 -1.133 1.00 0.34 O ATOM 901 OD2 ASP A 46 11.628 -2.779 0.967 1.00 0.34 O ATOM 0 H ASP A 46 10.357 -2.056 -2.600 1.00 0.31 H new ATOM 0 HA ASP A 46 12.392 0.086 -2.419 1.00 0.34 H new ATOM 0 HB2 ASP A 46 13.222 -1.067 -0.373 1.00 0.33 H new ATOM 0 HB3 ASP A 46 11.628 -0.370 -0.164 1.00 0.33 H new ATOM 906 N GLU A 47 14.203 -2.088 -2.388 1.00 0.40 N ATOM 907 CA GLU A 47 15.178 -2.986 -2.995 1.00 0.44 C ATOM 908 C GLU A 47 14.838 -4.448 -2.719 1.00 0.45 C ATOM 909 O GLU A 47 15.567 -5.351 -3.126 1.00 0.49 O ATOM 910 CB GLU A 47 16.583 -2.675 -2.472 1.00 0.46 C ATOM 911 CG GLU A 47 16.655 -2.528 -0.960 1.00 0.45 C ATOM 912 CD GLU A 47 17.802 -3.310 -0.351 1.00 0.48 C ATOM 913 OE1 GLU A 47 17.915 -4.519 -0.643 1.00 0.51 O ATOM 914 OE2 GLU A 47 18.585 -2.713 0.417 1.00 0.49 O ATOM 0 H GLU A 47 14.525 -1.629 -1.536 1.00 0.40 H new ATOM 0 HA GLU A 47 15.148 -2.827 -4.073 1.00 0.44 H new ATOM 0 HB2 GLU A 47 17.261 -3.470 -2.783 1.00 0.46 H new ATOM 0 HB3 GLU A 47 16.938 -1.754 -2.935 1.00 0.46 H new ATOM 0 HG2 GLU A 47 16.764 -1.474 -0.706 1.00 0.45 H new ATOM 0 HG3 GLU A 47 15.716 -2.866 -0.521 1.00 0.45 H new ATOM 921 N THR A 48 13.726 -4.680 -2.024 1.00 0.43 N ATOM 922 CA THR A 48 13.303 -6.036 -1.694 1.00 0.44 C ATOM 923 C THR A 48 12.108 -6.477 -2.534 1.00 0.43 C ATOM 924 O THR A 48 11.596 -7.584 -2.363 1.00 0.44 O ATOM 925 CB THR A 48 12.940 -6.155 -0.205 1.00 0.43 C ATOM 926 OG1 THR A 48 11.601 -5.695 0.012 1.00 0.39 O ATOM 927 CG2 THR A 48 13.903 -5.341 0.644 1.00 0.43 C ATOM 0 H THR A 48 13.105 -3.948 -1.680 1.00 0.43 H new ATOM 0 HA THR A 48 14.147 -6.688 -1.916 1.00 0.44 H new ATOM 0 HB THR A 48 13.013 -7.203 0.085 1.00 0.43 H new ATOM 0 HG1 THR A 48 11.403 -4.962 -0.607 1.00 0.39 H new ATOM 0 HG21 THR A 48 13.631 -5.437 1.695 1.00 0.43 H new ATOM 0 HG22 THR A 48 14.918 -5.709 0.497 1.00 0.43 H new ATOM 0 HG23 THR A 48 13.851 -4.293 0.350 1.00 0.43 H new ATOM 935 N GLY A 49 11.668 -5.613 -3.443 1.00 0.41 N ATOM 936 CA GLY A 49 10.537 -5.948 -4.292 1.00 0.41 C ATOM 937 C GLY A 49 9.663 -4.752 -4.611 1.00 0.37 C ATOM 938 O GLY A 49 10.153 -3.630 -4.734 1.00 0.36 O ATOM 0 H GLY A 49 12.071 -4.691 -3.607 1.00 0.41 H new ATOM 0 HA2 GLY A 49 10.904 -6.382 -5.222 1.00 0.41 H new ATOM 0 HA3 GLY A 49 9.934 -6.711 -3.800 1.00 0.41 H new ATOM 942 N ARG A 50 8.377 -5.017 -4.785 1.00 0.35 N ATOM 943 CA ARG A 50 7.423 -3.998 -5.117 1.00 0.31 C ATOM 944 C ARG A 50 6.026 -4.436 -4.712 1.00 0.29 C ATOM 945 O ARG A 50 5.666 -5.605 -4.827 1.00 0.31 O ATOM 946 CB ARG A 50 7.455 -3.716 -6.611 1.00 0.33 C ATOM 947 CG ARG A 50 6.415 -2.712 -7.038 1.00 0.30 C ATOM 948 CD ARG A 50 5.935 -2.978 -8.452 1.00 0.32 C ATOM 949 NE ARG A 50 6.847 -2.443 -9.457 1.00 0.36 N ATOM 950 CZ ARG A 50 6.456 -1.958 -10.634 1.00 0.38 C ATOM 951 NH1 ARG A 50 5.167 -1.928 -10.953 1.00 0.38 N ATOM 952 NH2 ARG A 50 7.357 -1.501 -11.494 1.00 0.42 N ATOM 0 H ARG A 50 7.976 -5.951 -4.697 1.00 0.35 H new ATOM 0 HA ARG A 50 7.684 -3.089 -4.575 1.00 0.31 H new ATOM 0 HB2 ARG A 50 8.443 -3.348 -6.886 1.00 0.33 H new ATOM 0 HB3 ARG A 50 7.299 -4.647 -7.155 1.00 0.33 H new ATOM 0 HG2 ARG A 50 5.569 -2.749 -6.352 1.00 0.30 H new ATOM 0 HG3 ARG A 50 6.831 -1.707 -6.977 1.00 0.30 H new ATOM 0 HD2 ARG A 50 5.825 -4.052 -8.600 1.00 0.32 H new ATOM 0 HD3 ARG A 50 4.948 -2.535 -8.588 1.00 0.32 H new ATOM 0 HE ARG A 50 7.845 -2.440 -9.245 1.00 0.36 H new ATOM 0 HH11 ARG A 50 4.470 -2.278 -10.295 1.00 0.38 H new ATOM 0 HH12 ARG A 50 4.874 -1.555 -11.856 1.00 0.38 H new ATOM 0 HH21 ARG A 50 8.348 -1.521 -11.253 1.00 0.42 H new ATOM 0 HH22 ARG A 50 7.059 -1.129 -12.396 1.00 0.42 H new ATOM 966 N VAL A 51 5.254 -3.479 -4.253 1.00 0.25 N ATOM 967 CA VAL A 51 3.893 -3.718 -3.817 1.00 0.23 C ATOM 968 C VAL A 51 3.015 -2.484 -4.064 1.00 0.19 C ATOM 969 O VAL A 51 3.415 -1.357 -3.774 1.00 0.18 O ATOM 970 CB VAL A 51 3.856 -4.097 -2.321 1.00 0.23 C ATOM 971 CG1 VAL A 51 4.596 -3.070 -1.475 1.00 0.22 C ATOM 972 CG2 VAL A 51 2.427 -4.235 -1.858 1.00 0.21 C ATOM 0 H VAL A 51 5.551 -2.507 -4.170 1.00 0.25 H new ATOM 0 HA VAL A 51 3.498 -4.550 -4.400 1.00 0.23 H new ATOM 0 HB VAL A 51 4.362 -5.055 -2.198 1.00 0.23 H new ATOM 0 HG11 VAL A 51 4.553 -3.364 -0.426 1.00 0.22 H new ATOM 0 HG12 VAL A 51 5.637 -3.017 -1.795 1.00 0.22 H new ATOM 0 HG13 VAL A 51 4.129 -2.093 -1.598 1.00 0.22 H new ATOM 0 HG21 VAL A 51 2.411 -4.503 -0.801 1.00 0.21 H new ATOM 0 HG22 VAL A 51 1.905 -3.289 -2.001 1.00 0.21 H new ATOM 0 HG23 VAL A 51 1.931 -5.014 -2.437 1.00 0.21 H new ATOM 982 N LYS A 52 1.829 -2.708 -4.627 1.00 0.18 N ATOM 983 CA LYS A 52 0.887 -1.624 -4.910 1.00 0.15 C ATOM 984 C LYS A 52 0.334 -1.003 -3.616 1.00 0.13 C ATOM 985 O LYS A 52 -0.109 -1.718 -2.718 1.00 0.14 O ATOM 986 CB LYS A 52 -0.268 -2.145 -5.774 1.00 0.16 C ATOM 987 CG LYS A 52 0.156 -3.202 -6.785 1.00 0.21 C ATOM 988 CD LYS A 52 -0.149 -2.777 -8.212 1.00 0.23 C ATOM 989 CE LYS A 52 0.539 -3.681 -9.225 1.00 0.29 C ATOM 990 NZ LYS A 52 0.066 -5.090 -9.122 1.00 0.28 N ATOM 0 H LYS A 52 1.496 -3.633 -4.897 1.00 0.18 H new ATOM 0 HA LYS A 52 1.426 -0.847 -5.451 1.00 0.15 H new ATOM 0 HB2 LYS A 52 -1.037 -2.563 -5.124 1.00 0.16 H new ATOM 0 HB3 LYS A 52 -0.720 -1.307 -6.305 1.00 0.16 H new ATOM 0 HG2 LYS A 52 1.224 -3.393 -6.684 1.00 0.21 H new ATOM 0 HG3 LYS A 52 -0.357 -4.139 -6.568 1.00 0.21 H new ATOM 0 HD2 LYS A 52 -1.226 -2.799 -8.376 1.00 0.23 H new ATOM 0 HD3 LYS A 52 0.175 -1.747 -8.363 1.00 0.23 H new ATOM 0 HE2 LYS A 52 0.351 -3.307 -10.232 1.00 0.29 H new ATOM 0 HE3 LYS A 52 1.617 -3.647 -9.069 1.00 0.29 H new ATOM 0 HZ1 LYS A 52 0.494 -5.656 -9.882 1.00 0.28 H new ATOM 0 HZ2 LYS A 52 0.343 -5.483 -8.200 1.00 0.28 H new ATOM 0 HZ3 LYS A 52 -0.970 -5.116 -9.212 1.00 0.28 H new ATOM 1004 N LEU A 53 0.368 0.333 -3.531 1.00 0.12 N ATOM 1005 CA LEU A 53 -0.130 1.056 -2.355 1.00 0.12 C ATOM 1006 C LEU A 53 -1.501 1.676 -2.634 1.00 0.13 C ATOM 1007 O LEU A 53 -1.746 2.232 -3.704 1.00 0.13 O ATOM 1008 CB LEU A 53 0.873 2.146 -1.935 1.00 0.13 C ATOM 1009 CG LEU A 53 0.762 2.676 -0.492 1.00 0.15 C ATOM 1010 CD1 LEU A 53 -0.356 3.697 -0.356 1.00 0.19 C ATOM 1011 CD2 LEU A 53 0.554 1.537 0.490 1.00 0.17 C ATOM 0 H LEU A 53 0.737 0.937 -4.266 1.00 0.12 H new ATOM 0 HA LEU A 53 -0.239 0.343 -1.538 1.00 0.12 H new ATOM 0 HB2 LEU A 53 1.880 1.753 -2.076 1.00 0.13 H new ATOM 0 HB3 LEU A 53 0.762 2.990 -2.616 1.00 0.13 H new ATOM 0 HG LEU A 53 1.703 3.173 -0.257 1.00 0.15 H new ATOM 0 HD11 LEU A 53 -0.404 4.048 0.675 1.00 0.19 H new ATOM 0 HD12 LEU A 53 -0.161 4.541 -1.018 1.00 0.19 H new ATOM 0 HD13 LEU A 53 -1.305 3.235 -0.627 1.00 0.19 H new ATOM 0 HD21 LEU A 53 0.479 1.937 1.501 1.00 0.17 H new ATOM 0 HD22 LEU A 53 -0.364 1.005 0.241 1.00 0.17 H new ATOM 0 HD23 LEU A 53 1.398 0.850 0.434 1.00 0.17 H new ATOM 1023 N THR A 54 -2.382 1.561 -1.652 1.00 0.16 N ATOM 1024 CA THR A 54 -3.735 2.082 -1.738 1.00 0.18 C ATOM 1025 C THR A 54 -4.054 2.989 -0.568 1.00 0.22 C ATOM 1026 O THR A 54 -4.260 2.533 0.547 1.00 0.25 O ATOM 1027 CB THR A 54 -4.805 0.988 -1.788 1.00 0.21 C ATOM 1028 OG1 THR A 54 -4.320 -0.162 -2.492 1.00 0.22 O ATOM 1029 CG2 THR A 54 -6.036 1.543 -2.478 1.00 0.23 C ATOM 0 H THR A 54 -2.175 1.099 -0.766 1.00 0.16 H new ATOM 0 HA THR A 54 -3.761 2.638 -2.675 1.00 0.18 H new ATOM 0 HB THR A 54 -5.056 0.679 -0.773 1.00 0.21 H new ATOM 0 HG1 THR A 54 -3.639 -0.614 -1.951 1.00 0.22 H new ATOM 0 HG21 THR A 54 -6.807 0.774 -2.521 1.00 0.23 H new ATOM 0 HG22 THR A 54 -6.410 2.401 -1.920 1.00 0.23 H new ATOM 0 HG23 THR A 54 -5.777 1.854 -3.490 1.00 0.23 H new ATOM 1037 N LEU A 55 -4.116 4.260 -0.840 1.00 0.22 N ATOM 1038 CA LEU A 55 -4.423 5.259 0.160 1.00 0.26 C ATOM 1039 C LEU A 55 -5.922 5.316 0.408 1.00 0.28 C ATOM 1040 O LEU A 55 -6.709 4.937 -0.459 1.00 0.28 O ATOM 1041 CB LEU A 55 -3.931 6.583 -0.352 1.00 0.26 C ATOM 1042 CG LEU A 55 -2.649 6.491 -1.179 1.00 0.24 C ATOM 1043 CD1 LEU A 55 -2.878 7.049 -2.555 1.00 0.24 C ATOM 1044 CD2 LEU A 55 -1.504 7.212 -0.504 1.00 0.25 C ATOM 0 H LEU A 55 -3.954 4.643 -1.771 1.00 0.22 H new ATOM 0 HA LEU A 55 -3.938 5.011 1.104 1.00 0.26 H new ATOM 0 HB2 LEU A 55 -4.712 7.039 -0.961 1.00 0.26 H new ATOM 0 HB3 LEU A 55 -3.758 7.247 0.495 1.00 0.26 H new ATOM 0 HG LEU A 55 -2.378 5.439 -1.262 1.00 0.24 H new ATOM 0 HD11 LEU A 55 -1.957 6.978 -3.134 1.00 0.24 H new ATOM 0 HD12 LEU A 55 -3.664 6.481 -3.052 1.00 0.24 H new ATOM 0 HD13 LEU A 55 -3.179 8.094 -2.478 1.00 0.24 H new ATOM 0 HD21 LEU A 55 -0.608 7.127 -1.118 1.00 0.25 H new ATOM 0 HD22 LEU A 55 -1.760 8.264 -0.379 1.00 0.25 H new ATOM 0 HD23 LEU A 55 -1.318 6.765 0.473 1.00 0.25 H new ATOM 1056 N TRP A 56 -6.324 5.806 1.576 1.00 0.32 N ATOM 1057 CA TRP A 56 -7.740 5.858 1.911 1.00 0.36 C ATOM 1058 C TRP A 56 -8.195 7.215 2.467 1.00 0.40 C ATOM 1059 O TRP A 56 -7.654 7.723 3.451 1.00 0.42 O ATOM 1060 CB TRP A 56 -8.049 4.730 2.888 1.00 0.36 C ATOM 1061 CG TRP A 56 -8.149 3.396 2.205 1.00 0.33 C ATOM 1062 CD1 TRP A 56 -7.151 2.465 2.071 1.00 0.30 C ATOM 1063 CD2 TRP A 56 -9.309 2.844 1.554 1.00 0.34 C ATOM 1064 NE1 TRP A 56 -7.608 1.381 1.369 1.00 0.30 N ATOM 1065 CE2 TRP A 56 -8.943 1.584 1.053 1.00 0.31 C ATOM 1066 CE3 TRP A 56 -10.614 3.295 1.346 1.00 0.38 C ATOM 1067 CZ2 TRP A 56 -9.839 0.781 0.360 1.00 0.32 C ATOM 1068 CZ3 TRP A 56 -11.491 2.496 0.661 1.00 0.38 C ATOM 1069 CH2 TRP A 56 -11.104 1.257 0.175 1.00 0.34 C ATOM 0 H TRP A 56 -5.699 6.168 2.296 1.00 0.32 H new ATOM 0 HA TRP A 56 -8.305 5.729 0.988 1.00 0.36 H new ATOM 0 HB2 TRP A 56 -7.270 4.688 3.650 1.00 0.36 H new ATOM 0 HB3 TRP A 56 -8.986 4.944 3.402 1.00 0.36 H new ATOM 0 HD1 TRP A 56 -6.150 2.571 2.462 1.00 0.30 H new ATOM 0 HE1 TRP A 56 -7.057 0.560 1.120 1.00 0.30 H new ATOM 0 HE3 TRP A 56 -10.927 4.259 1.719 1.00 0.38 H new ATOM 0 HZ2 TRP A 56 -9.545 -0.186 -0.019 1.00 0.32 H new ATOM 0 HZ3 TRP A 56 -12.502 2.838 0.497 1.00 0.38 H new ATOM 0 HH2 TRP A 56 -11.821 0.654 -0.363 1.00 0.34 H new ATOM 1080 N GLY A 57 -9.205 7.775 1.794 1.00 0.42 N ATOM 1081 CA GLY A 57 -9.812 9.052 2.159 1.00 0.47 C ATOM 1082 C GLY A 57 -8.894 10.259 1.987 1.00 0.47 C ATOM 1083 O GLY A 57 -8.772 10.784 0.880 1.00 0.46 O ATOM 0 H GLY A 57 -9.627 7.346 0.970 1.00 0.42 H new ATOM 0 HA2 GLY A 57 -10.706 9.202 1.553 1.00 0.47 H new ATOM 0 HA3 GLY A 57 -10.136 9.002 3.199 1.00 0.47 H new ATOM 1087 N LYS A 58 -8.250 10.710 3.067 1.00 0.49 N ATOM 1088 CA LYS A 58 -7.369 11.886 2.993 1.00 0.50 C ATOM 1089 C LYS A 58 -5.978 11.537 2.464 1.00 0.46 C ATOM 1090 O LYS A 58 -5.307 12.392 1.892 1.00 0.46 O ATOM 1091 CB LYS A 58 -7.279 12.607 4.348 1.00 0.54 C ATOM 1092 CG LYS A 58 -7.356 11.690 5.558 1.00 0.54 C ATOM 1093 CD LYS A 58 -6.060 10.927 5.761 1.00 0.51 C ATOM 1094 CE LYS A 58 -6.318 9.526 6.275 1.00 0.49 C ATOM 1095 NZ LYS A 58 -6.609 9.512 7.736 1.00 0.55 N ATOM 0 H LYS A 58 -8.318 10.288 3.993 1.00 0.49 H new ATOM 0 HA LYS A 58 -7.822 12.570 2.276 1.00 0.50 H new ATOM 0 HB2 LYS A 58 -6.342 13.162 4.388 1.00 0.54 H new ATOM 0 HB3 LYS A 58 -8.085 13.338 4.410 1.00 0.54 H new ATOM 0 HG2 LYS A 58 -7.576 12.279 6.449 1.00 0.54 H new ATOM 0 HG3 LYS A 58 -8.178 10.986 5.430 1.00 0.54 H new ATOM 0 HD2 LYS A 58 -5.515 10.876 4.819 1.00 0.51 H new ATOM 0 HD3 LYS A 58 -5.427 11.464 6.467 1.00 0.51 H new ATOM 0 HE2 LYS A 58 -7.158 9.090 5.734 1.00 0.49 H new ATOM 0 HE3 LYS A 58 -5.449 8.900 6.072 1.00 0.49 H new ATOM 0 HZ1 LYS A 58 -6.780 8.534 8.047 1.00 0.55 H new ATOM 0 HZ2 LYS A 58 -5.798 9.904 8.255 1.00 0.55 H new ATOM 0 HZ3 LYS A 58 -7.453 10.088 7.927 1.00 0.55 H new ATOM 1109 N HIS A 59 -5.547 10.289 2.653 1.00 0.42 N ATOM 1110 CA HIS A 59 -4.261 9.828 2.144 1.00 0.39 C ATOM 1111 C HIS A 59 -4.292 9.752 0.623 1.00 0.36 C ATOM 1112 O HIS A 59 -3.251 9.790 -0.035 1.00 0.34 O ATOM 1113 CB HIS A 59 -3.924 8.452 2.721 1.00 0.36 C ATOM 1114 CG HIS A 59 -3.322 8.500 4.090 1.00 0.38 C ATOM 1115 ND1 HIS A 59 -2.196 9.238 4.392 1.00 0.38 N ATOM 1116 CD2 HIS A 59 -3.693 7.894 5.240 1.00 0.39 C ATOM 1117 CE1 HIS A 59 -1.900 9.081 5.671 1.00 0.40 C ATOM 1118 NE2 HIS A 59 -2.794 8.271 6.207 1.00 0.41 N ATOM 0 H HIS A 59 -6.076 9.578 3.158 1.00 0.42 H new ATOM 0 HA HIS A 59 -3.494 10.540 2.450 1.00 0.39 H new ATOM 0 HB2 HIS A 59 -4.832 7.851 2.755 1.00 0.36 H new ATOM 0 HB3 HIS A 59 -3.232 7.946 2.048 1.00 0.36 H new ATOM 0 HD2 HIS A 59 -4.539 7.236 5.373 1.00 0.39 H new ATOM 0 HE1 HIS A 59 -1.069 9.537 6.189 1.00 0.40 H new ATOM 0 HE2 HIS A 59 -2.814 7.973 7.182 1.00 0.41 H new ATOM 1126 N ALA A 60 -5.497 9.646 0.076 1.00 0.37 N ATOM 1127 CA ALA A 60 -5.689 9.556 -1.365 1.00 0.36 C ATOM 1128 C ALA A 60 -5.078 10.748 -2.092 1.00 0.37 C ATOM 1129 O ALA A 60 -5.422 11.898 -1.820 1.00 0.41 O ATOM 1130 CB ALA A 60 -7.171 9.447 -1.685 1.00 0.38 C ATOM 0 H ALA A 60 -6.363 9.620 0.615 1.00 0.37 H new ATOM 0 HA ALA A 60 -5.176 8.660 -1.715 1.00 0.36 H new ATOM 0 HB1 ALA A 60 -7.306 9.380 -2.765 1.00 0.38 H new ATOM 0 HB2 ALA A 60 -7.581 8.555 -1.212 1.00 0.38 H new ATOM 0 HB3 ALA A 60 -7.690 10.328 -1.308 1.00 0.38 H new ATOM 1136 N GLY A 61 -4.171 10.460 -3.022 1.00 0.35 N ATOM 1137 CA GLY A 61 -3.524 11.513 -3.788 1.00 0.37 C ATOM 1138 C GLY A 61 -2.798 12.526 -2.919 1.00 0.39 C ATOM 1139 O GLY A 61 -2.329 13.552 -3.414 1.00 0.41 O ATOM 0 H GLY A 61 -3.872 9.514 -3.259 1.00 0.35 H new ATOM 0 HA2 GLY A 61 -2.814 11.064 -4.482 1.00 0.37 H new ATOM 0 HA3 GLY A 61 -4.273 12.029 -4.388 1.00 0.37 H new ATOM 1143 N SER A 62 -2.705 12.245 -1.624 1.00 0.39 N ATOM 1144 CA SER A 62 -2.036 13.147 -0.693 1.00 0.41 C ATOM 1145 C SER A 62 -0.531 12.906 -0.677 1.00 0.39 C ATOM 1146 O SER A 62 0.238 13.761 -0.235 1.00 0.41 O ATOM 1147 CB SER A 62 -2.605 12.974 0.716 1.00 0.42 C ATOM 1148 OG SER A 62 -1.775 13.597 1.681 1.00 0.44 O ATOM 0 H SER A 62 -3.084 11.401 -1.195 1.00 0.39 H new ATOM 0 HA SER A 62 -2.216 14.168 -1.030 1.00 0.41 H new ATOM 0 HB2 SER A 62 -3.606 13.402 0.762 1.00 0.42 H new ATOM 0 HB3 SER A 62 -2.701 11.913 0.945 1.00 0.42 H new ATOM 0 HG SER A 62 -2.161 13.474 2.573 1.00 0.44 H new ATOM 1154 N ILE A 63 -0.111 11.741 -1.161 1.00 0.35 N ATOM 1155 CA ILE A 63 1.304 11.398 -1.192 1.00 0.33 C ATOM 1156 C ILE A 63 2.035 12.134 -2.308 1.00 0.35 C ATOM 1157 O ILE A 63 1.421 12.789 -3.149 1.00 0.37 O ATOM 1158 CB ILE A 63 1.520 9.882 -1.363 1.00 0.29 C ATOM 1159 CG1 ILE A 63 0.624 9.336 -2.472 1.00 0.28 C ATOM 1160 CG2 ILE A 63 1.250 9.159 -0.052 1.00 0.28 C ATOM 1161 CD1 ILE A 63 1.395 8.784 -3.651 1.00 0.26 C ATOM 0 H ILE A 63 -0.729 11.022 -1.536 1.00 0.35 H new ATOM 0 HA ILE A 63 1.715 11.708 -0.231 1.00 0.33 H new ATOM 0 HB ILE A 63 2.558 9.709 -1.646 1.00 0.29 H new ATOM 0 HG12 ILE A 63 -0.010 8.550 -2.062 1.00 0.28 H new ATOM 0 HG13 ILE A 63 -0.037 10.130 -2.819 1.00 0.28 H new ATOM 0 HG21 ILE A 63 1.406 8.089 -0.188 1.00 0.28 H new ATOM 0 HG22 ILE A 63 1.929 9.531 0.715 1.00 0.28 H new ATOM 0 HG23 ILE A 63 0.220 9.339 0.257 1.00 0.28 H new ATOM 0 HD11 ILE A 63 0.696 8.413 -4.401 1.00 0.26 H new ATOM 0 HD12 ILE A 63 2.009 9.573 -4.086 1.00 0.26 H new ATOM 0 HD13 ILE A 63 2.036 7.968 -3.317 1.00 0.26 H new ATOM 1173 N LYS A 64 3.357 12.015 -2.296 1.00 0.34 N ATOM 1174 CA LYS A 64 4.211 12.664 -3.279 1.00 0.36 C ATOM 1175 C LYS A 64 4.690 11.675 -4.336 1.00 0.34 C ATOM 1176 O LYS A 64 4.255 10.525 -4.377 1.00 0.31 O ATOM 1177 CB LYS A 64 5.409 13.317 -2.589 1.00 0.38 C ATOM 1178 CG LYS A 64 5.235 14.806 -2.343 1.00 0.41 C ATOM 1179 CD LYS A 64 6.536 15.453 -1.892 1.00 0.43 C ATOM 1180 CE LYS A 64 6.279 16.639 -0.978 1.00 0.46 C ATOM 1181 NZ LYS A 64 7.522 17.092 -0.293 1.00 0.47 N ATOM 0 H LYS A 64 3.866 11.465 -1.604 1.00 0.34 H new ATOM 0 HA LYS A 64 3.622 13.433 -3.779 1.00 0.36 H new ATOM 0 HB2 LYS A 64 5.584 12.818 -1.636 1.00 0.38 H new ATOM 0 HB3 LYS A 64 6.298 13.160 -3.199 1.00 0.38 H new ATOM 0 HG2 LYS A 64 4.885 15.288 -3.256 1.00 0.41 H new ATOM 0 HG3 LYS A 64 4.467 14.963 -1.585 1.00 0.41 H new ATOM 0 HD2 LYS A 64 7.149 14.717 -1.371 1.00 0.43 H new ATOM 0 HD3 LYS A 64 7.103 15.780 -2.764 1.00 0.43 H new ATOM 0 HE2 LYS A 64 5.864 17.462 -1.560 1.00 0.46 H new ATOM 0 HE3 LYS A 64 5.532 16.367 -0.232 1.00 0.46 H new ATOM 0 HZ1 LYS A 64 7.304 17.903 0.321 1.00 0.47 H new ATOM 0 HZ2 LYS A 64 7.904 16.315 0.282 1.00 0.47 H new ATOM 0 HZ3 LYS A 64 8.226 17.376 -1.004 1.00 0.47 H new ATOM 1195 N GLU A 65 5.592 12.148 -5.183 1.00 0.36 N ATOM 1196 CA GLU A 65 6.167 11.343 -6.255 1.00 0.36 C ATOM 1197 C GLU A 65 7.422 10.667 -5.729 1.00 0.35 C ATOM 1198 O GLU A 65 7.695 10.748 -4.538 1.00 0.34 O ATOM 1199 CB GLU A 65 6.497 12.212 -7.470 1.00 0.40 C ATOM 1200 CG GLU A 65 5.669 11.877 -8.700 1.00 0.40 C ATOM 1201 CD GLU A 65 5.636 13.009 -9.707 1.00 0.44 C ATOM 1202 OE1 GLU A 65 6.707 13.345 -10.257 1.00 0.47 O ATOM 1203 OE2 GLU A 65 4.542 13.560 -9.945 1.00 0.45 O ATOM 0 H GLU A 65 5.948 13.103 -5.148 1.00 0.36 H new ATOM 0 HA GLU A 65 5.446 10.591 -6.575 1.00 0.36 H new ATOM 0 HB2 GLU A 65 6.340 13.259 -7.211 1.00 0.40 H new ATOM 0 HB3 GLU A 65 7.554 12.098 -7.712 1.00 0.40 H new ATOM 0 HG2 GLU A 65 6.076 10.985 -9.175 1.00 0.40 H new ATOM 0 HG3 GLU A 65 4.650 11.638 -8.394 1.00 0.40 H new ATOM 1210 N GLY A 66 8.162 9.993 -6.603 1.00 0.36 N ATOM 1211 CA GLY A 66 9.346 9.259 -6.173 1.00 0.35 C ATOM 1212 C GLY A 66 10.179 9.988 -5.134 1.00 0.36 C ATOM 1213 O GLY A 66 11.151 10.674 -5.452 1.00 0.39 O ATOM 0 H GLY A 66 7.966 9.940 -7.603 1.00 0.36 H new ATOM 0 HA2 GLY A 66 9.037 8.296 -5.766 1.00 0.35 H new ATOM 0 HA3 GLY A 66 9.969 9.052 -7.043 1.00 0.35 H new ATOM 1217 N GLN A 67 9.765 9.819 -3.878 1.00 0.34 N ATOM 1218 CA GLN A 67 10.432 10.410 -2.725 1.00 0.35 C ATOM 1219 C GLN A 67 10.513 9.368 -1.611 1.00 0.32 C ATOM 1220 O GLN A 67 9.769 8.387 -1.625 1.00 0.30 O ATOM 1221 CB GLN A 67 9.663 11.648 -2.241 1.00 0.36 C ATOM 1222 CG GLN A 67 8.249 11.350 -1.771 1.00 0.34 C ATOM 1223 CD GLN A 67 8.114 11.375 -0.266 1.00 0.33 C ATOM 1224 OE1 GLN A 67 7.729 12.387 0.321 1.00 0.35 O ATOM 1225 NE2 GLN A 67 8.431 10.258 0.369 1.00 0.31 N ATOM 0 H GLN A 67 8.947 9.261 -3.633 1.00 0.34 H new ATOM 0 HA GLN A 67 11.438 10.723 -3.006 1.00 0.35 H new ATOM 0 HB2 GLN A 67 10.217 12.111 -1.424 1.00 0.36 H new ATOM 0 HB3 GLN A 67 9.620 12.377 -3.051 1.00 0.36 H new ATOM 0 HG2 GLN A 67 7.566 12.080 -2.205 1.00 0.34 H new ATOM 0 HG3 GLN A 67 7.947 10.371 -2.142 1.00 0.34 H new ATOM 0 HE21 GLN A 67 8.745 9.443 -0.158 1.00 0.31 H new ATOM 0 HE22 GLN A 67 8.361 10.212 1.386 1.00 0.31 H new ATOM 1234 N VAL A 68 11.405 9.571 -0.649 1.00 0.33 N ATOM 1235 CA VAL A 68 11.551 8.618 0.449 1.00 0.31 C ATOM 1236 C VAL A 68 10.451 8.790 1.490 1.00 0.30 C ATOM 1237 O VAL A 68 10.378 9.816 2.168 1.00 0.32 O ATOM 1238 CB VAL A 68 12.915 8.745 1.149 1.00 0.33 C ATOM 1239 CG1 VAL A 68 13.205 7.491 1.960 1.00 0.32 C ATOM 1240 CG2 VAL A 68 14.019 9.003 0.133 1.00 0.36 C ATOM 0 H VAL A 68 12.031 10.375 -0.604 1.00 0.33 H new ATOM 0 HA VAL A 68 11.475 7.629 -0.002 1.00 0.31 H new ATOM 0 HB VAL A 68 12.881 9.596 1.829 1.00 0.33 H new ATOM 0 HG11 VAL A 68 14.173 7.591 2.451 1.00 0.32 H new ATOM 0 HG12 VAL A 68 12.428 7.357 2.713 1.00 0.32 H new ATOM 0 HG13 VAL A 68 13.222 6.625 1.298 1.00 0.32 H new ATOM 0 HG21 VAL A 68 14.975 9.090 0.649 1.00 0.36 H new ATOM 0 HG22 VAL A 68 14.062 8.176 -0.575 1.00 0.36 H new ATOM 0 HG23 VAL A 68 13.811 9.929 -0.403 1.00 0.36 H new ATOM 1250 N VAL A 69 9.601 7.774 1.615 1.00 0.28 N ATOM 1251 CA VAL A 69 8.507 7.797 2.579 1.00 0.27 C ATOM 1252 C VAL A 69 8.651 6.666 3.583 1.00 0.27 C ATOM 1253 O VAL A 69 9.573 5.856 3.492 1.00 0.27 O ATOM 1254 CB VAL A 69 7.119 7.671 1.905 1.00 0.26 C ATOM 1255 CG1 VAL A 69 6.315 8.949 2.079 1.00 0.28 C ATOM 1256 CG2 VAL A 69 7.251 7.309 0.431 1.00 0.24 C ATOM 0 H VAL A 69 9.650 6.921 1.057 1.00 0.28 H new ATOM 0 HA VAL A 69 8.566 8.764 3.079 1.00 0.27 H new ATOM 0 HB VAL A 69 6.582 6.861 2.399 1.00 0.26 H new ATOM 0 HG11 VAL A 69 5.344 8.836 1.597 1.00 0.28 H new ATOM 0 HG12 VAL A 69 6.172 9.147 3.141 1.00 0.28 H new ATOM 0 HG13 VAL A 69 6.852 9.781 1.624 1.00 0.28 H new ATOM 0 HG21 VAL A 69 6.259 7.228 -0.014 1.00 0.24 H new ATOM 0 HG22 VAL A 69 7.818 8.084 -0.085 1.00 0.24 H new ATOM 0 HG23 VAL A 69 7.771 6.356 0.336 1.00 0.24 H new ATOM 1266 N LYS A 70 7.736 6.619 4.540 1.00 0.27 N ATOM 1267 CA LYS A 70 7.754 5.580 5.557 1.00 0.28 C ATOM 1268 C LYS A 70 6.340 5.116 5.866 1.00 0.28 C ATOM 1269 O LYS A 70 5.561 5.836 6.495 1.00 0.30 O ATOM 1270 CB LYS A 70 8.426 6.099 6.831 1.00 0.31 C ATOM 1271 CG LYS A 70 8.805 5.000 7.809 1.00 0.32 C ATOM 1272 CD LYS A 70 8.332 5.321 9.218 1.00 0.35 C ATOM 1273 CE LYS A 70 8.934 4.367 10.236 1.00 0.37 C ATOM 1274 NZ LYS A 70 8.436 4.637 11.613 1.00 0.40 N ATOM 0 H LYS A 70 6.972 7.289 4.633 1.00 0.27 H new ATOM 0 HA LYS A 70 8.324 4.733 5.177 1.00 0.28 H new ATOM 0 HB2 LYS A 70 9.322 6.656 6.558 1.00 0.31 H new ATOM 0 HB3 LYS A 70 7.754 6.799 7.327 1.00 0.31 H new ATOM 0 HG2 LYS A 70 8.369 4.056 7.484 1.00 0.32 H new ATOM 0 HG3 LYS A 70 9.887 4.868 7.808 1.00 0.32 H new ATOM 0 HD2 LYS A 70 8.606 6.345 9.471 1.00 0.35 H new ATOM 0 HD3 LYS A 70 7.244 5.262 9.261 1.00 0.35 H new ATOM 0 HE2 LYS A 70 8.694 3.341 9.958 1.00 0.37 H new ATOM 0 HE3 LYS A 70 10.020 4.456 10.219 1.00 0.37 H new ATOM 0 HZ1 LYS A 70 8.870 3.965 12.277 1.00 0.40 H new ATOM 0 HZ2 LYS A 70 8.687 5.608 11.889 1.00 0.40 H new ATOM 0 HZ3 LYS A 70 7.402 4.527 11.636 1.00 0.40 H new ATOM 1288 N ILE A 71 6.012 3.909 5.423 1.00 0.26 N ATOM 1289 CA ILE A 71 4.692 3.347 5.660 1.00 0.26 C ATOM 1290 C ILE A 71 4.580 2.847 7.089 1.00 0.29 C ATOM 1291 O ILE A 71 5.537 2.308 7.647 1.00 0.30 O ATOM 1292 CB ILE A 71 4.382 2.193 4.692 1.00 0.23 C ATOM 1293 CG1 ILE A 71 4.536 2.669 3.241 1.00 0.21 C ATOM 1294 CG2 ILE A 71 2.981 1.647 4.945 1.00 0.24 C ATOM 1295 CD1 ILE A 71 3.370 3.494 2.734 1.00 0.20 C ATOM 0 H ILE A 71 6.642 3.302 4.898 1.00 0.26 H new ATOM 0 HA ILE A 71 3.966 4.142 5.489 1.00 0.26 H new ATOM 0 HB ILE A 71 5.092 1.384 4.865 1.00 0.23 H new ATOM 0 HG12 ILE A 71 5.448 3.260 3.158 1.00 0.21 H new ATOM 0 HG13 ILE A 71 4.660 1.799 2.596 1.00 0.21 H new ATOM 0 HG21 ILE A 71 2.778 0.831 4.251 1.00 0.24 H new ATOM 0 HG22 ILE A 71 2.913 1.279 5.969 1.00 0.24 H new ATOM 0 HG23 ILE A 71 2.249 2.441 4.796 1.00 0.24 H new ATOM 0 HD11 ILE A 71 3.556 3.791 1.702 1.00 0.20 H new ATOM 0 HD12 ILE A 71 2.457 2.901 2.782 1.00 0.20 H new ATOM 0 HD13 ILE A 71 3.257 4.384 3.353 1.00 0.20 H new ATOM 1307 N GLU A 72 3.408 3.028 7.677 1.00 0.31 N ATOM 1308 CA GLU A 72 3.169 2.612 9.035 1.00 0.34 C ATOM 1309 C GLU A 72 2.127 1.514 9.084 1.00 0.35 C ATOM 1310 O GLU A 72 1.632 1.049 8.058 1.00 0.33 O ATOM 1311 CB GLU A 72 2.719 3.800 9.884 1.00 0.38 C ATOM 1312 CG GLU A 72 3.341 3.829 11.271 1.00 0.41 C ATOM 1313 CD GLU A 72 2.333 3.555 12.368 1.00 0.44 C ATOM 1314 OE1 GLU A 72 1.369 4.340 12.498 1.00 0.46 O ATOM 1315 OE2 GLU A 72 2.505 2.558 13.100 1.00 0.46 O ATOM 0 H GLU A 72 2.606 3.465 7.224 1.00 0.31 H new ATOM 0 HA GLU A 72 4.102 2.222 9.441 1.00 0.34 H new ATOM 0 HB2 GLU A 72 2.971 4.724 9.363 1.00 0.38 H new ATOM 0 HB3 GLU A 72 1.634 3.775 9.982 1.00 0.38 H new ATOM 0 HG2 GLU A 72 4.139 3.088 11.323 1.00 0.41 H new ATOM 0 HG3 GLU A 72 3.799 4.804 11.439 1.00 0.41 H new ATOM 1322 N ASN A 73 1.812 1.118 10.294 1.00 0.39 N ATOM 1323 CA ASN A 73 0.837 0.078 10.561 1.00 0.40 C ATOM 1324 C ASN A 73 -0.473 0.315 9.820 1.00 0.39 C ATOM 1325 O ASN A 73 -1.274 1.165 10.213 1.00 0.41 O ATOM 1326 CB ASN A 73 0.560 0.084 12.053 1.00 0.45 C ATOM 1327 CG ASN A 73 0.423 -1.306 12.638 1.00 0.47 C ATOM 1328 OD1 ASN A 73 1.401 -2.048 12.742 1.00 0.46 O ATOM 1329 ND2 ASN A 73 -0.794 -1.664 13.028 1.00 0.49 N ATOM 0 H ASN A 73 2.230 1.513 11.136 1.00 0.39 H new ATOM 0 HA ASN A 73 1.240 -0.876 10.221 1.00 0.40 H new ATOM 0 HB2 ASN A 73 1.367 0.609 12.564 1.00 0.45 H new ATOM 0 HB3 ASN A 73 -0.355 0.644 12.244 1.00 0.45 H new ATOM 0 HD21 ASN A 73 -0.949 -2.587 13.433 1.00 0.49 H new ATOM 0 HD22 ASN A 73 -1.575 -1.016 12.922 1.00 0.49 H new ATOM 1336 N ALA A 74 -0.632 -0.437 8.734 1.00 0.36 N ATOM 1337 CA ALA A 74 -1.838 -0.386 7.949 1.00 0.35 C ATOM 1338 C ALA A 74 -2.438 -1.774 7.851 1.00 0.36 C ATOM 1339 O ALA A 74 -3.040 -2.257 8.812 1.00 0.40 O ATOM 1340 CB ALA A 74 -1.533 0.160 6.569 1.00 0.31 C ATOM 0 H ALA A 74 0.070 -1.089 8.385 1.00 0.36 H new ATOM 0 HA ALA A 74 -2.558 0.276 8.431 1.00 0.35 H new ATOM 0 HB1 ALA A 74 -2.450 0.196 5.981 1.00 0.31 H new ATOM 0 HB2 ALA A 74 -1.120 1.165 6.658 1.00 0.31 H new ATOM 0 HB3 ALA A 74 -0.809 -0.487 6.074 1.00 0.31 H new ATOM 1346 N TRP A 75 -2.207 -2.433 6.717 1.00 0.33 N ATOM 1347 CA TRP A 75 -2.713 -3.778 6.488 1.00 0.34 C ATOM 1348 C TRP A 75 -2.410 -4.240 5.087 1.00 0.31 C ATOM 1349 O TRP A 75 -1.935 -3.478 4.246 1.00 0.28 O ATOM 1350 CB TRP A 75 -4.218 -3.855 6.727 1.00 0.37 C ATOM 1351 CG TRP A 75 -5.018 -2.833 5.975 1.00 0.36 C ATOM 1352 CD1 TRP A 75 -5.428 -2.892 4.675 1.00 0.34 C ATOM 1353 CD2 TRP A 75 -5.528 -1.598 6.493 1.00 0.38 C ATOM 1354 NE1 TRP A 75 -6.155 -1.781 4.372 1.00 0.34 N ATOM 1355 CE2 TRP A 75 -6.229 -0.983 5.467 1.00 0.37 C ATOM 1356 CE3 TRP A 75 -5.457 -0.959 7.717 1.00 0.41 C ATOM 1357 CZ2 TRP A 75 -6.853 0.225 5.612 1.00 0.39 C ATOM 1358 CZ3 TRP A 75 -6.079 0.260 7.872 1.00 0.44 C ATOM 1359 CH2 TRP A 75 -6.774 0.846 6.813 1.00 0.42 C ATOM 0 H TRP A 75 -1.668 -2.051 5.940 1.00 0.33 H new ATOM 0 HA TRP A 75 -2.208 -4.432 7.199 1.00 0.34 H new ATOM 0 HB2 TRP A 75 -4.567 -4.849 6.448 1.00 0.37 H new ATOM 0 HB3 TRP A 75 -4.411 -3.737 7.793 1.00 0.37 H new ATOM 0 HD1 TRP A 75 -5.209 -3.698 3.990 1.00 0.34 H new ATOM 0 HE1 TRP A 75 -6.577 -1.580 3.465 1.00 0.34 H new ATOM 0 HE3 TRP A 75 -4.921 -1.409 8.540 1.00 0.41 H new ATOM 0 HZ2 TRP A 75 -7.394 0.672 4.791 1.00 0.39 H new ATOM 0 HZ3 TRP A 75 -6.028 0.768 8.824 1.00 0.44 H new ATOM 0 HH2 TRP A 75 -7.253 1.804 6.953 1.00 0.42 H new ATOM 1370 N THR A 76 -2.696 -5.502 4.855 1.00 0.32 N ATOM 1371 CA THR A 76 -2.474 -6.108 3.568 1.00 0.30 C ATOM 1372 C THR A 76 -3.669 -6.946 3.177 1.00 0.33 C ATOM 1373 O THR A 76 -4.195 -7.717 3.978 1.00 0.36 O ATOM 1374 CB THR A 76 -1.227 -6.996 3.564 1.00 0.31 C ATOM 1375 OG1 THR A 76 -1.170 -7.753 4.777 1.00 0.36 O ATOM 1376 CG2 THR A 76 0.033 -6.166 3.417 1.00 0.29 C ATOM 0 H THR A 76 -3.088 -6.133 5.554 1.00 0.32 H new ATOM 0 HA THR A 76 -2.326 -5.300 2.852 1.00 0.30 H new ATOM 0 HB THR A 76 -1.291 -7.673 2.712 1.00 0.31 H new ATOM 0 HG1 THR A 76 -0.355 -8.297 4.785 1.00 0.36 H new ATOM 0 HG21 THR A 76 0.903 -6.822 3.417 1.00 0.29 H new ATOM 0 HG22 THR A 76 -0.003 -5.612 2.479 1.00 0.29 H new ATOM 0 HG23 THR A 76 0.107 -5.466 4.249 1.00 0.29 H new ATOM 1384 N THR A 77 -4.096 -6.780 1.946 1.00 0.32 N ATOM 1385 CA THR A 77 -5.230 -7.520 1.432 1.00 0.36 C ATOM 1386 C THR A 77 -4.849 -8.136 0.092 1.00 0.32 C ATOM 1387 O THR A 77 -4.317 -7.451 -0.780 1.00 0.26 O ATOM 1388 CB THR A 77 -6.476 -6.612 1.287 1.00 0.38 C ATOM 1389 OG1 THR A 77 -6.425 -5.895 0.050 1.00 0.41 O ATOM 1390 CG2 THR A 77 -6.574 -5.613 2.447 1.00 0.37 C ATOM 0 H THR A 77 -3.674 -6.136 1.277 1.00 0.32 H new ATOM 0 HA THR A 77 -5.490 -8.310 2.137 1.00 0.36 H new ATOM 0 HB THR A 77 -7.357 -7.254 1.304 1.00 0.38 H new ATOM 0 HG1 THR A 77 -6.269 -4.944 0.229 1.00 0.41 H new ATOM 0 HG21 THR A 77 -7.459 -4.990 2.317 1.00 0.37 H new ATOM 0 HG22 THR A 77 -6.648 -6.156 3.389 1.00 0.37 H new ATOM 0 HG23 THR A 77 -5.685 -4.983 2.460 1.00 0.37 H new ATOM 1398 N ALA A 78 -5.103 -9.427 -0.071 1.00 0.38 N ATOM 1399 CA ALA A 78 -4.740 -10.108 -1.307 1.00 0.37 C ATOM 1400 C ALA A 78 -5.835 -10.018 -2.362 1.00 0.35 C ATOM 1401 O ALA A 78 -6.865 -10.683 -2.262 1.00 0.39 O ATOM 1402 CB ALA A 78 -4.395 -11.561 -1.026 1.00 0.43 C ATOM 0 H ALA A 78 -5.553 -10.018 0.627 1.00 0.38 H new ATOM 0 HA ALA A 78 -3.864 -9.600 -1.710 1.00 0.37 H new ATOM 0 HB1 ALA A 78 -4.126 -12.058 -1.958 1.00 0.43 H new ATOM 0 HB2 ALA A 78 -3.554 -11.608 -0.334 1.00 0.43 H new ATOM 0 HB3 ALA A 78 -5.257 -12.061 -0.584 1.00 0.43 H new ATOM 1408 N PHE A 79 -5.598 -9.189 -3.376 1.00 0.29 N ATOM 1409 CA PHE A 79 -6.523 -9.019 -4.459 1.00 0.26 C ATOM 1410 C PHE A 79 -6.116 -9.870 -5.648 1.00 0.27 C ATOM 1411 O PHE A 79 -5.010 -9.724 -6.166 1.00 0.27 O ATOM 1412 CB PHE A 79 -6.565 -7.558 -4.874 1.00 0.23 C ATOM 1413 CG PHE A 79 -7.856 -7.215 -5.517 1.00 0.22 C ATOM 1414 CD1 PHE A 79 -8.973 -7.033 -4.744 1.00 0.27 C ATOM 1415 CD2 PHE A 79 -7.964 -7.123 -6.883 1.00 0.25 C ATOM 1416 CE1 PHE A 79 -10.178 -6.759 -5.316 1.00 0.31 C ATOM 1417 CE2 PHE A 79 -9.168 -6.844 -7.464 1.00 0.29 C ATOM 1418 CZ PHE A 79 -10.283 -6.659 -6.680 1.00 0.31 C ATOM 0 H PHE A 79 -4.754 -8.622 -3.456 1.00 0.29 H new ATOM 0 HA PHE A 79 -7.511 -9.334 -4.123 1.00 0.26 H new ATOM 0 HB2 PHE A 79 -6.413 -6.925 -4.000 1.00 0.23 H new ATOM 0 HB3 PHE A 79 -5.747 -7.350 -5.564 1.00 0.23 H new ATOM 0 HD1 PHE A 79 -8.897 -7.108 -3.669 1.00 0.27 H new ATOM 0 HD2 PHE A 79 -7.091 -7.272 -7.502 1.00 0.25 H new ATOM 0 HE1 PHE A 79 -11.051 -6.620 -4.696 1.00 0.31 H new ATOM 0 HE2 PHE A 79 -9.245 -6.769 -8.539 1.00 0.29 H new ATOM 0 HZ PHE A 79 -11.236 -6.436 -7.136 1.00 0.31 H new ATOM 1428 N LYS A 80 -7.016 -10.758 -6.067 1.00 0.30 N ATOM 1429 CA LYS A 80 -6.779 -11.637 -7.213 1.00 0.32 C ATOM 1430 C LYS A 80 -5.596 -12.588 -6.982 1.00 0.34 C ATOM 1431 O LYS A 80 -5.040 -13.137 -7.935 1.00 0.36 O ATOM 1432 CB LYS A 80 -6.551 -10.803 -8.479 1.00 0.31 C ATOM 1433 CG LYS A 80 -7.648 -9.789 -8.755 1.00 0.30 C ATOM 1434 CD LYS A 80 -8.916 -10.428 -9.290 1.00 0.33 C ATOM 1435 CE LYS A 80 -9.954 -9.366 -9.611 1.00 0.33 C ATOM 1436 NZ LYS A 80 -11.256 -9.957 -10.030 1.00 0.43 N ATOM 0 H LYS A 80 -7.926 -10.889 -5.625 1.00 0.30 H new ATOM 0 HA LYS A 80 -7.669 -12.254 -7.339 1.00 0.32 H new ATOM 0 HB2 LYS A 80 -5.599 -10.279 -8.390 1.00 0.31 H new ATOM 0 HB3 LYS A 80 -6.467 -11.474 -9.334 1.00 0.31 H new ATOM 0 HG2 LYS A 80 -7.878 -9.250 -7.836 1.00 0.30 H new ATOM 0 HG3 LYS A 80 -7.285 -9.054 -9.474 1.00 0.30 H new ATOM 0 HD2 LYS A 80 -8.689 -11.005 -10.186 1.00 0.33 H new ATOM 0 HD3 LYS A 80 -9.317 -11.126 -8.555 1.00 0.33 H new ATOM 0 HE2 LYS A 80 -10.109 -8.736 -8.735 1.00 0.33 H new ATOM 0 HE3 LYS A 80 -9.578 -8.721 -10.405 1.00 0.33 H new ATOM 0 HZ1 LYS A 80 -11.932 -9.195 -10.239 1.00 0.43 H new ATOM 0 HZ2 LYS A 80 -11.116 -10.538 -10.881 1.00 0.43 H new ATOM 0 HZ3 LYS A 80 -11.630 -10.552 -9.263 1.00 0.43 H new ATOM 1450 N GLY A 81 -5.217 -12.785 -5.717 1.00 0.35 N ATOM 1451 CA GLY A 81 -4.124 -13.689 -5.402 1.00 0.38 C ATOM 1452 C GLY A 81 -2.812 -12.978 -5.125 1.00 0.37 C ATOM 1453 O GLY A 81 -1.865 -13.594 -4.636 1.00 0.39 O ATOM 0 H GLY A 81 -5.648 -12.335 -4.909 1.00 0.35 H new ATOM 0 HA2 GLY A 81 -4.396 -14.286 -4.531 1.00 0.38 H new ATOM 0 HA3 GLY A 81 -3.985 -14.382 -6.232 1.00 0.38 H new ATOM 1457 N GLN A 82 -2.747 -11.686 -5.436 1.00 0.34 N ATOM 1458 CA GLN A 82 -1.539 -10.908 -5.185 1.00 0.33 C ATOM 1459 C GLN A 82 -1.732 -10.054 -3.944 1.00 0.30 C ATOM 1460 O GLN A 82 -2.792 -9.462 -3.755 1.00 0.29 O ATOM 1461 CB GLN A 82 -1.177 -9.995 -6.360 1.00 0.32 C ATOM 1462 CG GLN A 82 -2.159 -10.017 -7.523 1.00 0.31 C ATOM 1463 CD GLN A 82 -2.597 -8.624 -7.941 1.00 0.27 C ATOM 1464 OE1 GLN A 82 -2.832 -8.363 -9.121 1.00 0.28 O ATOM 1465 NE2 GLN A 82 -2.723 -7.722 -6.970 1.00 0.24 N ATOM 0 H GLN A 82 -3.511 -11.159 -5.859 1.00 0.34 H new ATOM 0 HA GLN A 82 -0.723 -11.617 -5.046 1.00 0.33 H new ATOM 0 HB2 GLN A 82 -1.096 -8.972 -5.993 1.00 0.32 H new ATOM 0 HB3 GLN A 82 -0.192 -10.280 -6.731 1.00 0.32 H new ATOM 0 HG2 GLN A 82 -1.699 -10.520 -8.373 1.00 0.31 H new ATOM 0 HG3 GLN A 82 -3.036 -10.601 -7.243 1.00 0.31 H new ATOM 0 HE21 GLN A 82 -2.518 -7.980 -6.005 1.00 0.24 H new ATOM 0 HE22 GLN A 82 -3.024 -6.773 -7.191 1.00 0.24 H new ATOM 1474 N VAL A 83 -0.707 -9.980 -3.104 1.00 0.31 N ATOM 1475 CA VAL A 83 -0.795 -9.185 -1.885 1.00 0.30 C ATOM 1476 C VAL A 83 -0.799 -7.695 -2.224 1.00 0.26 C ATOM 1477 O VAL A 83 -0.253 -7.284 -3.250 1.00 0.25 O ATOM 1478 CB VAL A 83 0.367 -9.478 -0.909 1.00 0.33 C ATOM 1479 CG1 VAL A 83 0.053 -8.938 0.477 1.00 0.32 C ATOM 1480 CG2 VAL A 83 0.671 -10.967 -0.856 1.00 0.38 C ATOM 0 H VAL A 83 0.185 -10.455 -3.241 1.00 0.31 H new ATOM 0 HA VAL A 83 -1.728 -9.462 -1.394 1.00 0.30 H new ATOM 0 HB VAL A 83 1.257 -8.968 -1.279 1.00 0.33 H new ATOM 0 HG11 VAL A 83 0.884 -9.155 1.149 1.00 0.32 H new ATOM 0 HG12 VAL A 83 -0.097 -7.860 0.422 1.00 0.32 H new ATOM 0 HG13 VAL A 83 -0.853 -9.412 0.855 1.00 0.32 H new ATOM 0 HG21 VAL A 83 1.492 -11.146 -0.162 1.00 0.38 H new ATOM 0 HG22 VAL A 83 -0.214 -11.507 -0.518 1.00 0.38 H new ATOM 0 HG23 VAL A 83 0.952 -11.316 -1.849 1.00 0.38 H new ATOM 1490 N GLN A 84 -1.403 -6.889 -1.360 1.00 0.24 N ATOM 1491 CA GLN A 84 -1.479 -5.454 -1.592 1.00 0.21 C ATOM 1492 C GLN A 84 -1.367 -4.698 -0.277 1.00 0.21 C ATOM 1493 O GLN A 84 -1.579 -5.266 0.789 1.00 0.25 O ATOM 1494 CB GLN A 84 -2.790 -5.107 -2.302 1.00 0.20 C ATOM 1495 CG GLN A 84 -2.672 -3.938 -3.265 1.00 0.26 C ATOM 1496 CD GLN A 84 -3.912 -3.763 -4.117 1.00 0.30 C ATOM 1497 OE1 GLN A 84 -4.021 -4.339 -5.201 1.00 0.33 O ATOM 1498 NE2 GLN A 84 -4.854 -2.967 -3.632 1.00 0.37 N ATOM 0 H GLN A 84 -1.845 -7.203 -0.496 1.00 0.24 H new ATOM 0 HA GLN A 84 -0.647 -5.156 -2.230 1.00 0.21 H new ATOM 0 HB2 GLN A 84 -3.140 -5.983 -2.849 1.00 0.20 H new ATOM 0 HB3 GLN A 84 -3.548 -4.875 -1.554 1.00 0.20 H new ATOM 0 HG2 GLN A 84 -2.490 -3.023 -2.701 1.00 0.26 H new ATOM 0 HG3 GLN A 84 -1.808 -4.090 -3.912 1.00 0.26 H new ATOM 0 HE21 GLN A 84 -4.721 -2.510 -2.730 1.00 0.37 H new ATOM 0 HE22 GLN A 84 -5.712 -2.811 -4.161 1.00 0.37 H new ATOM 1507 N LEU A 85 -1.036 -3.419 -0.361 1.00 0.19 N ATOM 1508 CA LEU A 85 -0.878 -2.590 0.826 1.00 0.20 C ATOM 1509 C LEU A 85 -1.773 -1.360 0.755 1.00 0.19 C ATOM 1510 O LEU A 85 -2.081 -0.873 -0.329 1.00 0.17 O ATOM 1511 CB LEU A 85 0.580 -2.171 0.953 1.00 0.19 C ATOM 1512 CG LEU A 85 1.166 -2.239 2.361 1.00 0.22 C ATOM 1513 CD1 LEU A 85 2.343 -3.201 2.399 1.00 0.25 C ATOM 1514 CD2 LEU A 85 1.593 -0.855 2.816 1.00 0.22 C ATOM 0 H LEU A 85 -0.871 -2.930 -1.241 1.00 0.19 H new ATOM 0 HA LEU A 85 -1.172 -3.168 1.702 1.00 0.20 H new ATOM 0 HB2 LEU A 85 1.179 -2.804 0.298 1.00 0.19 H new ATOM 0 HB3 LEU A 85 0.679 -1.149 0.587 1.00 0.19 H new ATOM 0 HG LEU A 85 0.400 -2.608 3.043 1.00 0.22 H new ATOM 0 HD11 LEU A 85 2.750 -3.238 3.410 1.00 0.25 H new ATOM 0 HD12 LEU A 85 2.009 -4.196 2.105 1.00 0.25 H new ATOM 0 HD13 LEU A 85 3.115 -2.859 1.710 1.00 0.25 H new ATOM 0 HD21 LEU A 85 2.010 -0.915 3.821 1.00 0.22 H new ATOM 0 HD22 LEU A 85 2.348 -0.464 2.133 1.00 0.22 H new ATOM 0 HD23 LEU A 85 0.729 -0.191 2.820 1.00 0.22 H new ATOM 1526 N ASN A 86 -2.203 -0.872 1.917 1.00 0.21 N ATOM 1527 CA ASN A 86 -3.078 0.301 1.984 1.00 0.22 C ATOM 1528 C ASN A 86 -2.637 1.227 3.075 1.00 0.24 C ATOM 1529 O ASN A 86 -1.705 0.921 3.809 1.00 0.25 O ATOM 1530 CB ASN A 86 -4.507 -0.126 2.304 1.00 0.25 C ATOM 1531 CG ASN A 86 -5.009 -1.157 1.349 1.00 0.25 C ATOM 1532 OD1 ASN A 86 -5.773 -0.851 0.442 1.00 0.29 O ATOM 1533 ND2 ASN A 86 -4.560 -2.379 1.553 1.00 0.26 N ATOM 0 H ASN A 86 -1.961 -1.269 2.825 1.00 0.21 H new ATOM 0 HA ASN A 86 -3.029 0.802 1.017 1.00 0.22 H new ATOM 0 HB2 ASN A 86 -4.549 -0.521 3.319 1.00 0.25 H new ATOM 0 HB3 ASN A 86 -5.161 0.745 2.274 1.00 0.25 H new ATOM 0 HD21 ASN A 86 -4.848 -3.138 0.935 1.00 0.26 H new ATOM 0 HD22 ASN A 86 -3.925 -2.566 2.329 1.00 0.26 H new ATOM 1540 N ALA A 87 -3.257 2.391 3.139 1.00 0.26 N ATOM 1541 CA ALA A 87 -2.966 3.290 4.226 1.00 0.28 C ATOM 1542 C ALA A 87 -4.224 4.013 4.678 1.00 0.32 C ATOM 1543 O ALA A 87 -4.836 4.762 3.917 1.00 0.33 O ATOM 1544 CB ALA A 87 -1.884 4.284 3.838 1.00 0.27 C ATOM 0 H ALA A 87 -3.947 2.725 2.467 1.00 0.26 H new ATOM 0 HA ALA A 87 -2.593 2.697 5.061 1.00 0.28 H new ATOM 0 HB1 ALA A 87 -1.684 4.950 4.677 1.00 0.27 H new ATOM 0 HB2 ALA A 87 -0.973 3.746 3.577 1.00 0.27 H new ATOM 0 HB3 ALA A 87 -2.218 4.869 2.981 1.00 0.27 H new ATOM 1550 N GLY A 88 -4.593 3.778 5.928 1.00 0.36 N ATOM 1551 CA GLY A 88 -5.756 4.415 6.497 1.00 0.40 C ATOM 1552 C GLY A 88 -5.454 5.272 7.711 1.00 0.44 C ATOM 1553 O GLY A 88 -4.599 6.154 7.666 1.00 0.43 O ATOM 0 H GLY A 88 -4.100 3.150 6.562 1.00 0.36 H new ATOM 0 HA2 GLY A 88 -6.228 5.035 5.735 1.00 0.40 H new ATOM 0 HA3 GLY A 88 -6.478 3.648 6.776 1.00 0.40 H new ATOM 1557 N SER A 89 -6.161 4.999 8.811 1.00 0.48 N ATOM 1558 CA SER A 89 -6.015 5.780 10.037 1.00 0.52 C ATOM 1559 C SER A 89 -4.796 5.415 10.903 1.00 0.52 C ATOM 1560 O SER A 89 -3.984 6.294 11.201 1.00 0.52 O ATOM 1561 CB SER A 89 -7.288 5.685 10.881 1.00 0.56 C ATOM 1562 OG SER A 89 -8.389 6.276 10.216 1.00 0.56 O ATOM 0 H SER A 89 -6.841 4.241 8.875 1.00 0.48 H new ATOM 0 HA SER A 89 -5.844 6.802 9.700 1.00 0.52 H new ATOM 0 HB2 SER A 89 -7.508 4.639 11.095 1.00 0.56 H new ATOM 0 HB3 SER A 89 -7.130 6.180 11.839 1.00 0.56 H new ATOM 0 HG SER A 89 -9.189 6.200 10.777 1.00 0.56 H new ATOM 1568 N LYS A 90 -4.658 4.138 11.331 1.00 0.51 N ATOM 1569 CA LYS A 90 -3.507 3.756 12.185 1.00 0.51 C ATOM 1570 C LYS A 90 -2.206 3.823 11.405 1.00 0.47 C ATOM 1571 O LYS A 90 -1.139 3.519 11.929 1.00 0.47 O ATOM 1572 CB LYS A 90 -3.644 2.356 12.833 1.00 0.53 C ATOM 1573 CG LYS A 90 -3.702 1.186 11.868 1.00 0.56 C ATOM 1574 CD LYS A 90 -5.133 0.816 11.527 1.00 0.71 C ATOM 1575 CE LYS A 90 -5.397 -0.651 11.813 1.00 0.94 C ATOM 1576 NZ LYS A 90 -6.832 -0.911 12.116 1.00 1.25 N ATOM 0 H LYS A 90 -5.303 3.379 11.110 1.00 0.51 H new ATOM 0 HA LYS A 90 -3.498 4.484 12.996 1.00 0.51 H new ATOM 0 HB2 LYS A 90 -2.802 2.205 13.508 1.00 0.53 H new ATOM 0 HB3 LYS A 90 -4.547 2.345 13.443 1.00 0.53 H new ATOM 0 HG2 LYS A 90 -3.163 1.439 10.955 1.00 0.56 H new ATOM 0 HG3 LYS A 90 -3.198 0.325 12.307 1.00 0.56 H new ATOM 0 HD2 LYS A 90 -5.820 1.433 12.106 1.00 0.71 H new ATOM 0 HD3 LYS A 90 -5.326 1.026 10.475 1.00 0.71 H new ATOM 0 HE2 LYS A 90 -5.094 -1.248 10.953 1.00 0.94 H new ATOM 0 HE3 LYS A 90 -4.785 -0.972 12.656 1.00 0.94 H new ATOM 0 HZ1 LYS A 90 -6.930 -1.202 13.110 1.00 1.25 H new ATOM 0 HZ2 LYS A 90 -7.384 -0.045 11.953 1.00 1.25 H new ATOM 0 HZ3 LYS A 90 -7.186 -1.669 11.497 1.00 1.25 H new ATOM 1590 N THR A 91 -2.312 4.226 10.154 1.00 0.45 N ATOM 1591 CA THR A 91 -1.171 4.350 9.282 1.00 0.40 C ATOM 1592 C THR A 91 -0.786 5.819 9.136 1.00 0.42 C ATOM 1593 O THR A 91 -1.600 6.639 8.702 1.00 0.45 O ATOM 1594 CB THR A 91 -1.512 3.817 7.883 1.00 0.36 C ATOM 1595 OG1 THR A 91 -2.379 2.686 7.991 1.00 0.36 O ATOM 1596 CG2 THR A 91 -0.255 3.446 7.116 1.00 0.32 C ATOM 0 H THR A 91 -3.198 4.477 9.716 1.00 0.45 H new ATOM 0 HA THR A 91 -0.350 3.779 9.715 1.00 0.40 H new ATOM 0 HB THR A 91 -2.021 4.607 7.330 1.00 0.36 H new ATOM 0 HG1 THR A 91 -2.156 2.179 8.799 1.00 0.36 H new ATOM 0 HG21 THR A 91 -0.528 3.072 6.129 1.00 0.32 H new ATOM 0 HG22 THR A 91 0.378 4.326 7.008 1.00 0.32 H new ATOM 0 HG23 THR A 91 0.288 2.673 7.660 1.00 0.32 H new ATOM 1604 N LYS A 92 0.435 6.157 9.504 1.00 0.41 N ATOM 1605 CA LYS A 92 0.908 7.530 9.383 1.00 0.42 C ATOM 1606 C LYS A 92 2.032 7.600 8.364 1.00 0.39 C ATOM 1607 O LYS A 92 3.128 7.089 8.607 1.00 0.37 O ATOM 1608 CB LYS A 92 1.394 8.056 10.737 1.00 0.46 C ATOM 1609 CG LYS A 92 0.432 9.032 11.399 1.00 0.51 C ATOM 1610 CD LYS A 92 -0.839 8.342 11.872 1.00 0.55 C ATOM 1611 CE LYS A 92 -1.825 9.338 12.459 1.00 0.60 C ATOM 1612 NZ LYS A 92 -3.051 8.668 12.974 1.00 0.67 N ATOM 0 H LYS A 92 1.118 5.505 9.889 1.00 0.41 H new ATOM 0 HA LYS A 92 0.080 8.155 9.048 1.00 0.42 H new ATOM 0 HB2 LYS A 92 1.558 7.212 11.407 1.00 0.46 H new ATOM 0 HB3 LYS A 92 2.358 8.547 10.601 1.00 0.46 H new ATOM 0 HG2 LYS A 92 0.924 9.508 12.247 1.00 0.51 H new ATOM 0 HG3 LYS A 92 0.175 9.823 10.694 1.00 0.51 H new ATOM 0 HD2 LYS A 92 -1.303 7.818 11.036 1.00 0.55 H new ATOM 0 HD3 LYS A 92 -0.590 7.590 12.621 1.00 0.55 H new ATOM 0 HE2 LYS A 92 -1.346 9.890 13.268 1.00 0.60 H new ATOM 0 HE3 LYS A 92 -2.102 10.066 11.697 1.00 0.60 H new ATOM 0 HZ1 LYS A 92 -3.835 9.351 13.001 1.00 0.67 H new ATOM 0 HZ2 LYS A 92 -3.303 7.877 12.348 1.00 0.67 H new ATOM 0 HZ3 LYS A 92 -2.873 8.308 13.933 1.00 0.67 H new ATOM 1626 N ILE A 93 1.768 8.217 7.213 1.00 0.37 N ATOM 1627 CA ILE A 93 2.795 8.313 6.181 1.00 0.35 C ATOM 1628 C ILE A 93 3.563 9.625 6.293 1.00 0.37 C ATOM 1629 O ILE A 93 2.987 10.666 6.607 1.00 0.40 O ATOM 1630 CB ILE A 93 2.195 8.212 4.765 1.00 0.32 C ATOM 1631 CG1 ILE A 93 1.065 7.180 4.732 1.00 0.31 C ATOM 1632 CG2 ILE A 93 3.281 7.853 3.760 1.00 0.29 C ATOM 1633 CD1 ILE A 93 0.338 7.118 3.404 1.00 0.29 C ATOM 0 H ILE A 93 0.874 8.648 6.976 1.00 0.37 H new ATOM 0 HA ILE A 93 3.473 7.474 6.340 1.00 0.35 H new ATOM 0 HB ILE A 93 1.777 9.181 4.493 1.00 0.32 H new ATOM 0 HG12 ILE A 93 1.476 6.196 4.958 1.00 0.31 H new ATOM 0 HG13 ILE A 93 0.348 7.414 5.519 1.00 0.31 H new ATOM 0 HG21 ILE A 93 2.846 7.784 2.763 1.00 0.29 H new ATOM 0 HG22 ILE A 93 4.052 8.623 3.767 1.00 0.29 H new ATOM 0 HG23 ILE A 93 3.724 6.894 4.030 1.00 0.29 H new ATOM 0 HD11 ILE A 93 -0.449 6.365 3.455 1.00 0.29 H new ATOM 0 HD12 ILE A 93 -0.103 8.090 3.185 1.00 0.29 H new ATOM 0 HD13 ILE A 93 1.043 6.854 2.615 1.00 0.29 H new ATOM 1645 N ALA A 94 4.867 9.566 6.039 1.00 0.36 N ATOM 1646 CA ALA A 94 5.707 10.755 6.113 1.00 0.38 C ATOM 1647 C ALA A 94 7.050 10.528 5.428 1.00 0.36 C ATOM 1648 O ALA A 94 7.542 9.403 5.357 1.00 0.34 O ATOM 1649 CB ALA A 94 5.916 11.170 7.563 1.00 0.41 C ATOM 0 H ALA A 94 5.362 8.712 5.782 1.00 0.36 H new ATOM 0 HA ALA A 94 5.193 11.560 5.587 1.00 0.38 H new ATOM 0 HB1 ALA A 94 6.545 12.059 7.600 1.00 0.41 H new ATOM 0 HB2 ALA A 94 4.952 11.389 8.021 1.00 0.41 H new ATOM 0 HB3 ALA A 94 6.401 10.360 8.107 1.00 0.41 H new ATOM 1655 N GLU A 95 7.638 11.611 4.926 1.00 0.38 N ATOM 1656 CA GLU A 95 8.927 11.539 4.246 1.00 0.37 C ATOM 1657 C GLU A 95 10.034 11.152 5.221 1.00 0.37 C ATOM 1658 O GLU A 95 10.119 11.690 6.323 1.00 0.40 O ATOM 1659 CB GLU A 95 9.255 12.880 3.588 1.00 0.39 C ATOM 1660 CG GLU A 95 8.106 13.461 2.781 1.00 0.40 C ATOM 1661 CD GLU A 95 7.453 14.646 3.464 1.00 0.44 C ATOM 1662 OE1 GLU A 95 8.070 15.730 3.491 1.00 0.46 O ATOM 1663 OE2 GLU A 95 6.322 14.488 3.973 1.00 0.44 O ATOM 0 H GLU A 95 7.241 12.549 4.978 1.00 0.38 H new ATOM 0 HA GLU A 95 8.862 10.771 3.475 1.00 0.37 H new ATOM 0 HB2 GLU A 95 9.542 13.593 4.361 1.00 0.39 H new ATOM 0 HB3 GLU A 95 10.118 12.753 2.935 1.00 0.39 H new ATOM 0 HG2 GLU A 95 8.474 13.768 1.802 1.00 0.40 H new ATOM 0 HG3 GLU A 95 7.358 12.687 2.612 1.00 0.40 H new ATOM 1670 N ALA A 96 10.879 10.215 4.802 1.00 0.36 N ATOM 1671 CA ALA A 96 11.982 9.752 5.637 1.00 0.36 C ATOM 1672 C ALA A 96 13.318 9.913 4.921 1.00 0.37 C ATOM 1673 O ALA A 96 13.431 9.639 3.727 1.00 0.36 O ATOM 1674 CB ALA A 96 11.768 8.299 6.032 1.00 0.34 C ATOM 0 H ALA A 96 10.821 9.762 3.890 1.00 0.36 H new ATOM 0 HA ALA A 96 12.005 10.365 6.538 1.00 0.36 H new ATOM 0 HB1 ALA A 96 12.598 7.965 6.655 1.00 0.34 H new ATOM 0 HB2 ALA A 96 10.836 8.207 6.590 1.00 0.34 H new ATOM 0 HB3 ALA A 96 11.717 7.682 5.135 1.00 0.34 H new ATOM 1680 N SER A 97 14.328 10.366 5.657 1.00 0.39 N ATOM 1681 CA SER A 97 15.659 10.565 5.090 1.00 0.40 C ATOM 1682 C SER A 97 16.642 9.534 5.637 1.00 0.41 C ATOM 1683 O SER A 97 16.804 9.398 6.850 1.00 0.41 O ATOM 1684 CB SER A 97 16.162 11.977 5.394 1.00 0.43 C ATOM 1685 OG SER A 97 16.029 12.280 6.772 1.00 0.44 O ATOM 0 H SER A 97 14.251 10.602 6.646 1.00 0.39 H new ATOM 0 HA SER A 97 15.589 10.438 4.010 1.00 0.40 H new ATOM 0 HB2 SER A 97 17.207 12.066 5.098 1.00 0.43 H new ATOM 0 HB3 SER A 97 15.601 12.701 4.803 1.00 0.43 H new ATOM 0 HG SER A 97 16.254 11.489 7.304 1.00 0.44 H new ATOM 1691 N GLU A 98 17.296 8.810 4.734 1.00 0.41 N ATOM 1692 CA GLU A 98 18.265 7.793 5.127 1.00 0.41 C ATOM 1693 C GLU A 98 19.587 7.990 4.388 1.00 0.44 C ATOM 1694 O GLU A 98 19.919 9.103 3.980 1.00 0.45 O ATOM 1695 CB GLU A 98 17.706 6.395 4.849 1.00 0.40 C ATOM 1696 CG GLU A 98 16.499 6.042 5.701 1.00 0.38 C ATOM 1697 CD GLU A 98 16.865 5.197 6.905 1.00 0.39 C ATOM 1698 OE1 GLU A 98 17.665 4.251 6.745 1.00 0.40 O ATOM 1699 OE2 GLU A 98 16.351 5.481 8.008 1.00 0.39 O ATOM 0 H GLU A 98 17.173 8.909 3.726 1.00 0.41 H new ATOM 0 HA GLU A 98 18.452 7.892 6.196 1.00 0.41 H new ATOM 0 HB2 GLU A 98 17.430 6.326 3.797 1.00 0.40 H new ATOM 0 HB3 GLU A 98 18.490 5.658 5.022 1.00 0.40 H new ATOM 0 HG2 GLU A 98 16.016 6.959 6.038 1.00 0.38 H new ATOM 0 HG3 GLU A 98 15.773 5.505 5.091 1.00 0.38 H new ATOM 1706 N ASP A 99 20.340 6.905 4.223 1.00 0.45 N ATOM 1707 CA ASP A 99 21.624 6.964 3.533 1.00 0.47 C ATOM 1708 C ASP A 99 21.434 6.934 2.019 1.00 0.48 C ATOM 1709 O ASP A 99 22.378 6.675 1.273 1.00 0.50 O ATOM 1710 CB ASP A 99 22.513 5.798 3.969 1.00 0.49 C ATOM 1711 CG ASP A 99 23.181 6.050 5.305 1.00 0.50 C ATOM 1712 OD1 ASP A 99 22.455 6.216 6.310 1.00 0.49 O ATOM 1713 OD2 ASP A 99 24.429 6.085 5.351 1.00 0.52 O ATOM 0 H ASP A 99 20.083 5.976 4.557 1.00 0.45 H new ATOM 0 HA ASP A 99 22.108 7.903 3.800 1.00 0.47 H new ATOM 0 HB2 ASP A 99 21.913 4.890 4.031 1.00 0.49 H new ATOM 0 HB3 ASP A 99 23.277 5.624 3.211 1.00 0.49 H new ATOM 1718 N GLY A 100 20.210 7.199 1.573 1.00 0.45 N ATOM 1719 CA GLY A 100 19.922 7.201 0.150 1.00 0.46 C ATOM 1720 C GLY A 100 19.196 5.947 -0.297 1.00 0.44 C ATOM 1721 O GLY A 100 19.821 5.002 -0.782 1.00 0.46 O ATOM 0 H GLY A 100 19.412 7.412 2.172 1.00 0.45 H new ATOM 0 HA2 GLY A 100 19.316 8.074 -0.094 1.00 0.46 H new ATOM 0 HA3 GLY A 100 20.855 7.295 -0.406 1.00 0.46 H new ATOM 1725 N PHE A 101 17.877 5.939 -0.135 1.00 0.41 N ATOM 1726 CA PHE A 101 17.064 4.791 -0.527 1.00 0.40 C ATOM 1727 C PHE A 101 17.193 4.528 -2.029 1.00 0.42 C ATOM 1728 O PHE A 101 17.344 5.464 -2.814 1.00 0.43 O ATOM 1729 CB PHE A 101 15.599 5.033 -0.161 1.00 0.36 C ATOM 1730 CG PHE A 101 14.982 3.916 0.632 1.00 0.35 C ATOM 1731 CD1 PHE A 101 15.394 3.656 1.930 1.00 0.35 C ATOM 1732 CD2 PHE A 101 13.990 3.123 0.078 1.00 0.33 C ATOM 1733 CE1 PHE A 101 14.829 2.628 2.658 1.00 0.34 C ATOM 1734 CE2 PHE A 101 13.423 2.091 0.803 1.00 0.32 C ATOM 1735 CZ PHE A 101 13.845 1.843 2.093 1.00 0.33 C ATOM 0 H PHE A 101 17.347 6.714 0.265 1.00 0.41 H new ATOM 0 HA PHE A 101 17.424 3.914 0.011 1.00 0.40 H new ATOM 0 HB2 PHE A 101 15.525 5.957 0.412 1.00 0.36 H new ATOM 0 HB3 PHE A 101 15.024 5.178 -1.076 1.00 0.36 H new ATOM 0 HD1 PHE A 101 16.166 4.265 2.377 1.00 0.35 H new ATOM 0 HD2 PHE A 101 13.656 3.313 -0.931 1.00 0.33 H new ATOM 0 HE1 PHE A 101 15.157 2.438 3.669 1.00 0.34 H new ATOM 0 HE2 PHE A 101 12.651 1.480 0.360 1.00 0.32 H new ATOM 0 HZ PHE A 101 13.406 1.035 2.660 1.00 0.33 H new ATOM 1745 N PRO A 102 17.137 3.247 -2.446 1.00 0.42 N ATOM 1746 CA PRO A 102 17.250 2.873 -3.862 1.00 0.44 C ATOM 1747 C PRO A 102 16.294 3.659 -4.752 1.00 0.43 C ATOM 1748 O PRO A 102 15.171 3.973 -4.350 1.00 0.40 O ATOM 1749 CB PRO A 102 16.883 1.388 -3.867 1.00 0.44 C ATOM 1750 CG PRO A 102 17.234 0.910 -2.502 1.00 0.44 C ATOM 1751 CD PRO A 102 16.965 2.065 -1.578 1.00 0.41 C ATOM 0 HA PRO A 102 18.243 3.084 -4.259 1.00 0.44 H new ATOM 0 HB2 PRO A 102 15.824 1.242 -4.078 1.00 0.44 H new ATOM 0 HB3 PRO A 102 17.438 0.845 -4.632 1.00 0.44 H new ATOM 0 HG2 PRO A 102 16.635 0.042 -2.226 1.00 0.44 H new ATOM 0 HG3 PRO A 102 18.279 0.605 -2.452 1.00 0.44 H new ATOM 0 HD2 PRO A 102 15.960 2.018 -1.158 1.00 0.41 H new ATOM 0 HD3 PRO A 102 17.661 2.078 -0.739 1.00 0.41 H new ATOM 1759 N GLU A 103 16.745 3.977 -5.961 1.00 0.46 N ATOM 1760 CA GLU A 103 15.932 4.727 -6.912 1.00 0.46 C ATOM 1761 C GLU A 103 14.834 3.848 -7.502 1.00 0.45 C ATOM 1762 O GLU A 103 14.916 2.620 -7.455 1.00 0.45 O ATOM 1763 CB GLU A 103 16.808 5.288 -8.034 1.00 0.50 C ATOM 1764 CG GLU A 103 16.294 6.599 -8.610 1.00 0.50 C ATOM 1765 CD GLU A 103 17.315 7.284 -9.496 1.00 0.54 C ATOM 1766 OE1 GLU A 103 18.352 7.739 -8.969 1.00 0.55 O ATOM 1767 OE2 GLU A 103 17.079 7.364 -10.722 1.00 0.56 O ATOM 0 H GLU A 103 17.672 3.726 -6.306 1.00 0.46 H new ATOM 0 HA GLU A 103 15.464 5.553 -6.377 1.00 0.46 H new ATOM 0 HB2 GLU A 103 17.818 5.439 -7.654 1.00 0.50 H new ATOM 0 HB3 GLU A 103 16.875 4.551 -8.834 1.00 0.50 H new ATOM 0 HG2 GLU A 103 15.388 6.409 -9.185 1.00 0.50 H new ATOM 0 HG3 GLU A 103 16.019 7.267 -7.794 1.00 0.50 H new ATOM 1774 N SER A 104 13.809 4.486 -8.058 1.00 0.43 N ATOM 1775 CA SER A 104 12.692 3.765 -8.660 1.00 0.42 C ATOM 1776 C SER A 104 13.148 2.960 -9.873 1.00 0.46 C ATOM 1777 O SER A 104 12.546 1.941 -10.215 1.00 0.45 O ATOM 1778 CB SER A 104 11.590 4.744 -9.069 1.00 0.41 C ATOM 1779 OG SER A 104 11.402 5.744 -8.082 1.00 0.39 O ATOM 0 H SER A 104 13.728 5.502 -8.104 1.00 0.43 H new ATOM 0 HA SER A 104 12.299 3.072 -7.917 1.00 0.42 H new ATOM 0 HB2 SER A 104 11.849 5.211 -10.019 1.00 0.41 H new ATOM 0 HB3 SER A 104 10.657 4.202 -9.224 1.00 0.41 H new ATOM 0 HG SER A 104 10.471 5.730 -7.775 1.00 0.39 H new ATOM 1785 N SER A 105 14.213 3.423 -10.519 1.00 0.49 N ATOM 1786 CA SER A 105 14.748 2.746 -11.695 1.00 0.53 C ATOM 1787 C SER A 105 15.645 1.579 -11.293 1.00 0.55 C ATOM 1788 O SER A 105 16.113 0.821 -12.144 1.00 0.58 O ATOM 1789 CB SER A 105 15.531 3.731 -12.563 1.00 0.56 C ATOM 1790 OG SER A 105 14.964 3.830 -13.860 1.00 0.58 O ATOM 0 H SER A 105 14.723 4.264 -10.248 1.00 0.49 H new ATOM 0 HA SER A 105 13.909 2.353 -12.269 1.00 0.53 H new ATOM 0 HB2 SER A 105 15.537 4.713 -12.089 1.00 0.56 H new ATOM 0 HB3 SER A 105 16.569 3.407 -12.640 1.00 0.56 H new ATOM 0 HG SER A 105 15.481 4.467 -14.395 1.00 0.58 H new ATOM 1796 N GLN A 106 15.884 1.444 -9.993 1.00 0.52 N ATOM 1797 CA GLN A 106 16.724 0.370 -9.477 1.00 0.54 C ATOM 1798 C GLN A 106 15.969 -0.459 -8.443 1.00 0.51 C ATOM 1799 O GLN A 106 16.554 -1.291 -7.751 1.00 0.52 O ATOM 1800 CB GLN A 106 17.999 0.945 -8.854 1.00 0.55 C ATOM 1801 CG GLN A 106 18.700 1.967 -9.733 1.00 0.58 C ATOM 1802 CD GLN A 106 20.134 2.218 -9.309 1.00 0.60 C ATOM 1803 OE1 GLN A 106 20.557 3.363 -9.155 1.00 0.60 O ATOM 1804 NE2 GLN A 106 20.890 1.141 -9.118 1.00 0.62 N ATOM 0 H GLN A 106 15.507 2.065 -9.277 1.00 0.52 H new ATOM 0 HA GLN A 106 16.996 -0.278 -10.310 1.00 0.54 H new ATOM 0 HB2 GLN A 106 17.749 1.409 -7.900 1.00 0.55 H new ATOM 0 HB3 GLN A 106 18.689 0.128 -8.640 1.00 0.55 H new ATOM 0 HG2 GLN A 106 18.686 1.621 -10.767 1.00 0.58 H new ATOM 0 HG3 GLN A 106 18.147 2.906 -9.703 1.00 0.58 H new ATOM 0 HE21 GLN A 106 20.496 0.210 -9.258 1.00 0.62 H new ATOM 0 HE22 GLN A 106 21.863 1.245 -8.832 1.00 0.62 H new ATOM 1813 N ILE A 107 14.664 -0.224 -8.346 1.00 0.48 N ATOM 1814 CA ILE A 107 13.825 -0.945 -7.398 1.00 0.45 C ATOM 1815 C ILE A 107 13.156 -2.153 -8.063 1.00 0.46 C ATOM 1816 O ILE A 107 12.436 -2.000 -9.051 1.00 0.46 O ATOM 1817 CB ILE A 107 12.740 -0.017 -6.796 1.00 0.40 C ATOM 1818 CG1 ILE A 107 13.308 0.748 -5.600 1.00 0.39 C ATOM 1819 CG2 ILE A 107 11.505 -0.807 -6.382 1.00 0.38 C ATOM 1820 CD1 ILE A 107 12.543 2.012 -5.273 1.00 0.36 C ATOM 0 H ILE A 107 14.165 0.461 -8.914 1.00 0.48 H new ATOM 0 HA ILE A 107 14.472 -1.298 -6.595 1.00 0.45 H new ATOM 0 HB ILE A 107 12.439 0.695 -7.564 1.00 0.40 H new ATOM 0 HG12 ILE A 107 13.306 0.095 -4.727 1.00 0.39 H new ATOM 0 HG13 ILE A 107 14.348 1.004 -5.803 1.00 0.39 H new ATOM 0 HG21 ILE A 107 10.762 -0.128 -5.963 1.00 0.38 H new ATOM 0 HG22 ILE A 107 11.086 -1.311 -7.253 1.00 0.38 H new ATOM 0 HG23 ILE A 107 11.782 -1.549 -5.633 1.00 0.38 H new ATOM 0 HD11 ILE A 107 13.001 2.503 -4.415 1.00 0.36 H new ATOM 0 HD12 ILE A 107 12.567 2.684 -6.131 1.00 0.36 H new ATOM 0 HD13 ILE A 107 11.509 1.761 -5.038 1.00 0.36 H new ATOM 1832 N PRO A 108 13.394 -3.373 -7.537 1.00 0.47 N ATOM 1833 CA PRO A 108 12.798 -4.598 -8.085 1.00 0.48 C ATOM 1834 C PRO A 108 11.282 -4.498 -8.206 1.00 0.45 C ATOM 1835 O PRO A 108 10.655 -3.616 -7.618 1.00 0.41 O ATOM 1836 CB PRO A 108 13.185 -5.671 -7.064 1.00 0.49 C ATOM 1837 CG PRO A 108 14.422 -5.152 -6.422 1.00 0.50 C ATOM 1838 CD PRO A 108 14.264 -3.658 -6.379 1.00 0.47 C ATOM 0 HA PRO A 108 13.151 -4.807 -9.095 1.00 0.48 H new ATOM 0 HB2 PRO A 108 12.393 -5.824 -6.331 1.00 0.49 H new ATOM 0 HB3 PRO A 108 13.363 -6.632 -7.547 1.00 0.49 H new ATOM 0 HG2 PRO A 108 14.544 -5.562 -5.419 1.00 0.50 H new ATOM 0 HG3 PRO A 108 15.307 -5.436 -6.992 1.00 0.50 H new ATOM 0 HD2 PRO A 108 13.810 -3.329 -5.444 1.00 0.47 H new ATOM 0 HD3 PRO A 108 15.225 -3.150 -6.463 1.00 0.47 H new ATOM 1846 N GLU A 109 10.697 -5.411 -8.975 1.00 0.47 N ATOM 1847 CA GLU A 109 9.253 -5.425 -9.187 1.00 0.44 C ATOM 1848 C GLU A 109 8.641 -6.733 -8.694 1.00 0.44 C ATOM 1849 O GLU A 109 7.476 -7.023 -8.967 1.00 0.43 O ATOM 1850 CB GLU A 109 8.930 -5.222 -10.668 1.00 0.46 C ATOM 1851 CG GLU A 109 9.756 -6.097 -11.598 1.00 0.51 C ATOM 1852 CD GLU A 109 9.241 -6.080 -13.024 1.00 0.53 C ATOM 1853 OE1 GLU A 109 8.230 -6.760 -13.299 1.00 0.52 O ATOM 1854 OE2 GLU A 109 9.849 -5.386 -13.868 1.00 0.55 O ATOM 0 H GLU A 109 11.201 -6.152 -9.462 1.00 0.47 H new ATOM 0 HA GLU A 109 8.821 -4.605 -8.613 1.00 0.44 H new ATOM 0 HB2 GLU A 109 7.873 -5.429 -10.832 1.00 0.46 H new ATOM 0 HB3 GLU A 109 9.094 -4.176 -10.927 1.00 0.46 H new ATOM 0 HG2 GLU A 109 10.792 -5.758 -11.586 1.00 0.51 H new ATOM 0 HG3 GLU A 109 9.752 -7.122 -11.226 1.00 0.51 H new ATOM 1861 N ASN A 110 9.434 -7.518 -7.973 1.00 0.46 N ATOM 1862 CA ASN A 110 8.973 -8.797 -7.442 1.00 0.48 C ATOM 1863 C ASN A 110 7.704 -8.619 -6.611 1.00 0.44 C ATOM 1864 O ASN A 110 7.681 -7.848 -5.653 1.00 0.41 O ATOM 1865 CB ASN A 110 10.067 -9.444 -6.588 1.00 0.50 C ATOM 1866 CG ASN A 110 10.057 -10.956 -6.685 1.00 0.54 C ATOM 1867 OD1 ASN A 110 9.153 -11.617 -6.174 1.00 0.53 O ATOM 1868 ND2 ASN A 110 11.066 -11.515 -7.344 1.00 0.58 N ATOM 0 H ASN A 110 10.401 -7.291 -7.742 1.00 0.46 H new ATOM 0 HA ASN A 110 8.745 -9.449 -8.285 1.00 0.48 H new ATOM 0 HB2 ASN A 110 11.040 -9.069 -6.904 1.00 0.50 H new ATOM 0 HB3 ASN A 110 9.934 -9.149 -5.547 1.00 0.50 H new ATOM 0 HD21 ASN A 110 11.112 -12.529 -7.442 1.00 0.58 H new ATOM 0 HD22 ASN A 110 11.795 -10.930 -7.752 1.00 0.58 H new ATOM 1875 N THR A 111 6.652 -9.338 -6.992 1.00 0.44 N ATOM 1876 CA THR A 111 5.378 -9.265 -6.289 1.00 0.41 C ATOM 1877 C THR A 111 5.317 -10.286 -5.153 1.00 0.42 C ATOM 1878 O THR A 111 5.301 -11.492 -5.399 1.00 0.45 O ATOM 1879 CB THR A 111 4.196 -9.513 -7.246 1.00 0.40 C ATOM 1880 OG1 THR A 111 4.683 -9.841 -8.552 1.00 0.44 O ATOM 1881 CG2 THR A 111 3.299 -8.287 -7.327 1.00 0.36 C ATOM 0 H THR A 111 6.658 -9.979 -7.786 1.00 0.44 H new ATOM 0 HA THR A 111 5.301 -8.259 -5.877 1.00 0.41 H new ATOM 0 HB THR A 111 3.611 -10.347 -6.857 1.00 0.40 H new ATOM 0 HG1 THR A 111 3.926 -9.999 -9.153 1.00 0.44 H new ATOM 0 HG21 THR A 111 2.472 -8.486 -8.008 1.00 0.36 H new ATOM 0 HG22 THR A 111 2.906 -8.057 -6.336 1.00 0.36 H new ATOM 0 HG23 THR A 111 3.876 -7.438 -7.694 1.00 0.36 H new ATOM 1889 N PRO A 112 5.286 -9.820 -3.886 1.00 0.40 N ATOM 1890 CA PRO A 112 5.227 -10.711 -2.721 1.00 0.42 C ATOM 1891 C PRO A 112 4.023 -11.643 -2.761 1.00 0.43 C ATOM 1892 O PRO A 112 2.922 -11.238 -3.134 1.00 0.40 O ATOM 1893 CB PRO A 112 5.116 -9.748 -1.535 1.00 0.38 C ATOM 1894 CG PRO A 112 5.676 -8.462 -2.037 1.00 0.36 C ATOM 1895 CD PRO A 112 5.308 -8.399 -3.490 1.00 0.36 C ATOM 0 HA PRO A 112 6.095 -11.369 -2.673 1.00 0.42 H new ATOM 0 HB2 PRO A 112 4.080 -9.631 -1.216 1.00 0.38 H new ATOM 0 HB3 PRO A 112 5.675 -10.114 -0.674 1.00 0.38 H new ATOM 0 HG2 PRO A 112 5.261 -7.615 -1.491 1.00 0.36 H new ATOM 0 HG3 PRO A 112 6.757 -8.428 -1.905 1.00 0.36 H new ATOM 0 HD2 PRO A 112 4.339 -7.922 -3.641 1.00 0.36 H new ATOM 0 HD3 PRO A 112 6.037 -7.830 -4.067 1.00 0.36 H new ATOM 1903 N THR A 113 4.240 -12.897 -2.372 1.00 0.46 N ATOM 1904 CA THR A 113 3.174 -13.892 -2.363 1.00 0.48 C ATOM 1905 C THR A 113 3.434 -14.964 -1.307 1.00 0.51 C ATOM 1906 O THR A 113 4.489 -15.599 -1.300 1.00 0.54 O ATOM 1907 CB THR A 113 3.024 -14.572 -3.738 1.00 0.50 C ATOM 1908 OG1 THR A 113 3.804 -13.875 -4.717 1.00 0.49 O ATOM 1909 CG2 THR A 113 1.568 -14.600 -4.172 1.00 0.49 C ATOM 0 H THR A 113 5.145 -13.247 -2.059 1.00 0.46 H new ATOM 0 HA THR A 113 2.251 -13.363 -2.126 1.00 0.48 H new ATOM 0 HB THR A 113 3.381 -15.598 -3.651 1.00 0.50 H new ATOM 0 HG1 THR A 113 3.704 -14.314 -5.588 1.00 0.49 H new ATOM 0 HG21 THR A 113 1.488 -15.085 -5.145 1.00 0.49 H new ATOM 0 HG22 THR A 113 0.981 -15.155 -3.440 1.00 0.49 H new ATOM 0 HG23 THR A 113 1.190 -13.580 -4.242 1.00 0.49 H new ATOM 1917 N ALA A 114 2.465 -15.157 -0.417 1.00 0.51 N ATOM 1918 CA ALA A 114 2.589 -16.150 0.646 1.00 0.54 C ATOM 1919 C ALA A 114 2.648 -17.563 0.074 1.00 0.58 C ATOM 1920 O ALA A 114 2.312 -17.785 -1.088 1.00 0.58 O ATOM 1921 CB ALA A 114 1.430 -16.023 1.624 1.00 0.53 C ATOM 0 H ALA A 114 1.586 -14.640 -0.410 1.00 0.51 H new ATOM 0 HA ALA A 114 3.522 -15.962 1.178 1.00 0.54 H new ATOM 0 HB1 ALA A 114 1.535 -16.769 2.411 1.00 0.53 H new ATOM 0 HB2 ALA A 114 1.434 -15.026 2.066 1.00 0.53 H new ATOM 0 HB3 ALA A 114 0.490 -16.182 1.096 1.00 0.53 H new ATOM 1927 N ARG A 115 3.080 -18.512 0.899 1.00 0.61 N ATOM 1928 CA ARG A 115 3.185 -19.904 0.476 1.00 0.65 C ATOM 1929 C ARG A 115 1.862 -20.636 0.681 1.00 0.66 C ATOM 1930 O ARG A 115 1.178 -20.432 1.684 1.00 0.66 O ATOM 1931 CB ARG A 115 4.299 -20.615 1.248 1.00 0.69 C ATOM 1932 CG ARG A 115 4.204 -20.444 2.755 1.00 0.69 C ATOM 1933 CD ARG A 115 5.423 -21.017 3.459 1.00 0.72 C ATOM 1934 NE ARG A 115 6.668 -20.462 2.935 1.00 0.71 N ATOM 1935 CZ ARG A 115 7.710 -21.203 2.567 1.00 0.74 C ATOM 1936 NH1 ARG A 115 7.661 -22.524 2.675 1.00 0.78 N ATOM 1937 NH2 ARG A 115 8.803 -20.621 2.089 1.00 0.73 N ATOM 0 H ARG A 115 3.363 -18.342 1.864 1.00 0.61 H new ATOM 0 HA ARG A 115 3.427 -19.915 -0.587 1.00 0.65 H new ATOM 0 HB2 ARG A 115 4.272 -21.678 1.010 1.00 0.69 H new ATOM 0 HB3 ARG A 115 5.263 -20.236 0.908 1.00 0.69 H new ATOM 0 HG2 ARG A 115 4.107 -19.386 2.997 1.00 0.69 H new ATOM 0 HG3 ARG A 115 3.305 -20.938 3.122 1.00 0.69 H new ATOM 0 HD2 ARG A 115 5.355 -20.811 4.527 1.00 0.72 H new ATOM 0 HD3 ARG A 115 5.432 -22.101 3.344 1.00 0.72 H new ATOM 0 HE ARG A 115 6.743 -19.449 2.846 1.00 0.71 H new ATOM 0 HH11 ARG A 115 6.823 -22.975 3.041 1.00 0.78 H new ATOM 0 HH12 ARG A 115 8.462 -23.089 2.392 1.00 0.78 H new ATOM 0 HH21 ARG A 115 8.844 -19.605 2.004 1.00 0.73 H new ATOM 0 HH22 ARG A 115 9.602 -21.189 1.807 1.00 0.73 H new ATOM 1951 N ARG A 116 1.510 -21.487 -0.277 1.00 0.68 N ATOM 1952 CA ARG A 116 0.270 -22.254 -0.206 1.00 0.70 C ATOM 1953 C ARG A 116 0.560 -23.741 -0.043 1.00 0.74 C ATOM 1954 O ARG A 116 1.579 -24.241 -0.520 1.00 0.77 O ATOM 1955 CB ARG A 116 -0.570 -22.020 -1.462 1.00 0.68 C ATOM 1956 CG ARG A 116 -1.274 -20.673 -1.481 1.00 0.64 C ATOM 1957 CD ARG A 116 -2.202 -20.549 -2.678 1.00 0.63 C ATOM 1958 NE ARG A 116 -1.680 -19.629 -3.684 1.00 0.60 N ATOM 1959 CZ ARG A 116 -1.689 -18.305 -3.553 1.00 0.56 C ATOM 1960 NH1 ARG A 116 -2.191 -17.747 -2.459 1.00 0.55 N ATOM 1961 NH2 ARG A 116 -1.194 -17.539 -4.515 1.00 0.55 N ATOM 0 H ARG A 116 2.066 -21.664 -1.113 1.00 0.68 H new ATOM 0 HA ARG A 116 -0.290 -21.914 0.665 1.00 0.70 H new ATOM 0 HB2 ARG A 116 0.073 -22.097 -2.339 1.00 0.68 H new ATOM 0 HB3 ARG A 116 -1.315 -22.811 -1.543 1.00 0.68 H new ATOM 0 HG2 ARG A 116 -1.845 -20.546 -0.561 1.00 0.64 H new ATOM 0 HG3 ARG A 116 -0.533 -19.874 -1.509 1.00 0.64 H new ATOM 0 HD2 ARG A 116 -2.348 -21.532 -3.127 1.00 0.63 H new ATOM 0 HD3 ARG A 116 -3.180 -20.203 -2.344 1.00 0.63 H new ATOM 0 HE ARG A 116 -1.285 -20.024 -4.537 1.00 0.60 H new ATOM 0 HH11 ARG A 116 -2.571 -18.333 -1.716 1.00 0.55 H new ATOM 0 HH12 ARG A 116 -2.197 -16.732 -2.361 1.00 0.55 H new ATOM 0 HH21 ARG A 116 -0.806 -17.965 -5.357 1.00 0.55 H new ATOM 0 HH22 ARG A 116 -1.201 -16.524 -4.413 1.00 0.55 H new ATOM 1975 N ARG A 117 -0.344 -24.446 0.634 1.00 0.76 N ATOM 1976 CA ARG A 117 -0.185 -25.877 0.858 1.00 0.80 C ATOM 1977 C ARG A 117 -0.584 -26.670 -0.382 1.00 0.82 C ATOM 1978 O ARG A 117 0.209 -27.563 -0.775 1.00 0.85 O ATOM 1979 CB ARG A 117 -1.027 -26.323 2.057 1.00 0.82 C ATOM 1980 CG ARG A 117 -0.909 -25.404 3.261 1.00 0.80 C ATOM 1981 CD ARG A 117 -1.799 -25.865 4.402 1.00 0.81 C ATOM 1982 NE ARG A 117 -3.128 -25.261 4.336 1.00 0.79 N ATOM 1983 CZ ARG A 117 -4.108 -25.536 5.191 1.00 0.81 C ATOM 1984 NH1 ARG A 117 -3.913 -26.404 6.175 1.00 0.84 N ATOM 1985 NH2 ARG A 117 -5.287 -24.942 5.062 1.00 0.79 N ATOM 1986 OXT ARG A 117 -1.663 -26.402 -1.005 1.00 0.81 O ATOM 0 H ARG A 117 -1.193 -24.048 1.036 1.00 0.76 H new ATOM 0 HA ARG A 117 0.867 -26.072 1.068 1.00 0.80 H new ATOM 0 HB2 ARG A 117 -2.073 -26.379 1.755 1.00 0.82 H new ATOM 0 HB3 ARG A 117 -0.725 -27.329 2.348 1.00 0.82 H new ATOM 0 HG2 ARG A 117 0.128 -25.373 3.596 1.00 0.80 H new ATOM 0 HG3 ARG A 117 -1.181 -24.389 2.973 1.00 0.80 H new ATOM 0 HD2 ARG A 117 -1.892 -26.951 4.374 1.00 0.81 H new ATOM 0 HD3 ARG A 117 -1.331 -25.610 5.353 1.00 0.81 H new ATOM 0 HE ARG A 117 -3.314 -24.590 3.591 1.00 0.79 H new ATOM 0 HH11 ARG A 117 -3.008 -26.863 6.278 1.00 0.84 H new ATOM 0 HH12 ARG A 117 -4.668 -26.612 6.829 1.00 0.84 H new ATOM 0 HH21 ARG A 117 -5.442 -24.274 4.307 1.00 0.79 H new ATOM 0 HH22 ARG A 117 -6.039 -25.153 5.718 1.00 0.79 H new TER 2000 ARG A 117