USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 903 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 126 GLN : amide:sc= -4.11! C(o=-4.2!,f=-6.9!) USER MOD Set 1.2: B 155 GLN :FLIP amide:sc= -0.114 F(o=-5.5,f=-4.2) USER MOD Set 2.1: B 139 SER OG : rot 180:sc= 0 USER MOD Set 2.2: B 140 GLN : amide:sc= -0.472 X(o=-0.47,f=-0.22) USER MOD Set 3.1: B 121 ASN :FLIP amide:sc= -1.91 F(o=-7.3!,f=-3.6) USER MOD Set 3.2: B 152 ASN :FLIP amide:sc= -1.65 F(o=-7.3,f=-3.6) USER MOD Set 4.1: A 40 GLN : amide:sc= -0.0746 K(o=-0.085,f=-2.9) USER MOD Set 4.2: A 43 ASN :FLIP amide:sc= -0.0105 F(o=-1.3,f=-0.085) USER MOD Set 5.1: A 26 GLN : amide:sc= -4.11 K(o=-4.7,f=-7.2!) USER MOD Set 5.2: A 55 GLN : amide:sc= -0.575 K(o=-4.7,f=-7.2) USER MOD Set 6.1: A 18 HIS : no HE2:sc= -0.648 K(o=-1.1,f=-10!) USER MOD Set 6.2: B 110 GLN : amide:sc= -0.466 X(o=-1.1,f=-1.1) USER MOD Set 7.1: A 6 ASN : amide:sc= -1.8 K(o=-5.7,f=-9!) USER MOD Set 7.2: A 9 GLN : amide:sc= -3.89! K(o=-5.7!,f=-9) USER MOD Single : A 1 VAL N :NH3+ -162:sc= -0.132 (180deg=-0.802) USER MOD Single : A 3 ASN : amide:sc= -3.03 K(o=-3,f=-5.6!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0.387 X(o=0.39,f=0) USER MOD Single : A 11 ASN : amide:sc= -0.844 X(o=-0.84,f=-0.6) USER MOD Single : A 14 TYR OH : rot 180:sc= -0.637 USER MOD Single : A 21 ASN : amide:sc= -0.568 X(o=-0.57,f=-0.88) USER MOD Single : A 23 ASN :FLIP amide:sc= -3.35 F(o=-9.3!,f=-3.4) USER MOD Single : A 28 ASN : amide:sc= -3.44 X(o=-3.4,f=-3.5!) USER MOD Single : A 32 GLN :FLIP amide:sc= -1.28 F(o=-1.9,f=-1.3) USER MOD Single : A 33 SER OG : rot 150:sc= -0.175 USER MOD Single : A 35 LYS NZ :NH3+ -127:sc= 0.14 (180deg=-0.654) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -88:sc= 1.03 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -165:sc= -0.0558 (180deg=-0.291) USER MOD Single : A 52 ASN : amide:sc= -2.5 K(o=-2.5,f=-14!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 103 ASN : amide:sc= -0.337 X(o=-0.34,f=0.0014) USER MOD Single : B 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 106 ASN : amide:sc= -0.687 K(o=-0.69,f=-4.7!) USER MOD Single : B 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 109 THR OG1 : rot 180:sc= 0 USER MOD Single : B 113 SER OG : rot 68:sc= 0.119 USER MOD Single : B 118 THR OG1 : rot -11:sc= 0.592 USER MOD Single : B 123 ASN :FLIP amide:sc= -1.2 F(o=-4.3,f=-1.2) USER MOD Single : B 132 SER OG : rot 180:sc= 0 USER MOD Single : B 133 SER OG : rot 150:sc= -0.263 USER MOD Single : B 141 SER OG : rot 180:sc= -0.919 USER MOD Single : B 143 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : B 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 150 LYS NZ :NH3+ -118:sc= 0.596 (180deg=-0.0814) USER MOD Single : B 158 LYS NZ :NH3+ -176:sc= -1.74 (180deg=-1.9) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -14.648 -7.153 10.997 1.00 6.84 N ATOM 2 CA VAL A 1 -14.309 -6.598 9.661 1.00 6.39 C ATOM 3 C VAL A 1 -13.042 -7.242 9.105 1.00 5.45 C ATOM 4 O VAL A 1 -12.888 -7.381 7.891 1.00 5.57 O ATOM 5 CB VAL A 1 -14.112 -5.070 9.725 1.00 7.06 C ATOM 6 CG1 VAL A 1 -13.849 -4.503 8.337 1.00 7.37 C ATOM 7 CG2 VAL A 1 -15.324 -4.402 10.357 1.00 7.36 C ATOM 0 H1 VAL A 1 -15.642 -6.942 11.218 1.00 6.84 H new ATOM 0 H2 VAL A 1 -14.505 -8.183 10.991 1.00 6.84 H new ATOM 0 H3 VAL A 1 -14.034 -6.722 11.718 1.00 6.84 H new ATOM 0 HA VAL A 1 -15.146 -6.822 9.000 1.00 6.39 H new ATOM 0 HB VAL A 1 -13.242 -4.862 10.348 1.00 7.06 H new ATOM 0 HG11 VAL A 1 -13.713 -3.424 8.405 1.00 7.37 H new ATOM 0 HG12 VAL A 1 -12.949 -4.957 7.923 1.00 7.37 H new ATOM 0 HG13 VAL A 1 -14.697 -4.722 7.688 1.00 7.37 H new ATOM 0 HG21 VAL A 1 -15.167 -3.324 10.394 1.00 7.36 H new ATOM 0 HG22 VAL A 1 -16.211 -4.620 9.762 1.00 7.36 H new ATOM 0 HG23 VAL A 1 -15.463 -4.783 11.369 1.00 7.36 H new ATOM 19 N ASP A 2 -12.138 -7.633 9.998 1.00 4.87 N ATOM 20 CA ASP A 2 -10.887 -8.265 9.591 1.00 4.23 C ATOM 21 C ASP A 2 -11.112 -9.732 9.239 1.00 3.33 C ATOM 22 O ASP A 2 -11.906 -10.419 9.882 1.00 3.72 O ATOM 23 CB ASP A 2 -9.843 -8.151 10.703 1.00 5.03 C ATOM 24 CG ASP A 2 -9.507 -6.710 11.036 1.00 5.73 C ATOM 25 OD1 ASP A 2 -8.650 -6.124 10.341 1.00 6.07 O ATOM 26 OD2 ASP A 2 -10.103 -6.166 11.989 1.00 6.23 O ATOM 0 H ASP A 2 -12.248 -7.524 11.006 1.00 4.87 H new ATOM 0 HA ASP A 2 -10.519 -7.746 8.706 1.00 4.23 H new ATOM 0 HB2 ASP A 2 -10.214 -8.651 11.598 1.00 5.03 H new ATOM 0 HB3 ASP A 2 -8.935 -8.672 10.400 1.00 5.03 H new ATOM 31 N ASN A 3 -10.406 -10.206 8.217 1.00 2.66 N ATOM 32 CA ASN A 3 -10.530 -11.590 7.775 1.00 2.31 C ATOM 33 C ASN A 3 -9.429 -11.943 6.781 1.00 1.47 C ATOM 34 O ASN A 3 -8.697 -12.915 6.969 1.00 2.12 O ATOM 35 CB ASN A 3 -11.907 -11.821 7.147 1.00 2.82 C ATOM 36 CG ASN A 3 -12.203 -10.846 6.024 1.00 3.16 C ATOM 37 OD1 ASN A 3 -12.004 -11.155 4.849 1.00 3.78 O ATOM 38 ND2 ASN A 3 -12.672 -9.655 6.380 1.00 3.18 N ATOM 0 H ASN A 3 -9.741 -9.650 7.679 1.00 2.66 H new ATOM 0 HA ASN A 3 -10.424 -12.239 8.644 1.00 2.31 H new ATOM 0 HB2 ASN A 3 -11.962 -12.840 6.763 1.00 2.82 H new ATOM 0 HB3 ASN A 3 -12.674 -11.728 7.916 1.00 2.82 H new ATOM 0 HD21 ASN A 3 -12.882 -8.956 5.668 1.00 3.18 H new ATOM 0 HD22 ASN A 3 -12.823 -9.440 7.366 1.00 3.18 H new ATOM 45 N LYS A 4 -9.320 -11.148 5.721 1.00 0.80 N ATOM 46 CA LYS A 4 -8.304 -11.367 4.698 1.00 1.31 C ATOM 47 C LYS A 4 -7.078 -10.502 4.961 1.00 1.28 C ATOM 48 O LYS A 4 -6.043 -10.661 4.319 1.00 2.13 O ATOM 49 CB LYS A 4 -8.869 -11.051 3.315 1.00 2.13 C ATOM 50 CG LYS A 4 -9.832 -12.105 2.792 1.00 2.28 C ATOM 51 CD LYS A 4 -10.379 -11.738 1.422 1.00 3.10 C ATOM 52 CE LYS A 4 -11.291 -10.521 1.487 1.00 3.72 C ATOM 53 NZ LYS A 4 -11.806 -10.141 0.142 1.00 4.09 N ATOM 0 H LYS A 4 -9.924 -10.345 5.548 1.00 0.80 H new ATOM 0 HA LYS A 4 -8.007 -12.415 4.734 1.00 1.31 H new ATOM 0 HB2 LYS A 4 -9.382 -10.090 3.353 1.00 2.13 H new ATOM 0 HB3 LYS A 4 -8.044 -10.944 2.611 1.00 2.13 H new ATOM 0 HG2 LYS A 4 -9.322 -13.067 2.734 1.00 2.28 H new ATOM 0 HG3 LYS A 4 -10.658 -12.223 3.494 1.00 2.28 H new ATOM 0 HD2 LYS A 4 -9.551 -11.537 0.742 1.00 3.10 H new ATOM 0 HD3 LYS A 4 -10.930 -12.584 1.012 1.00 3.10 H new ATOM 0 HE2 LYS A 4 -12.130 -10.731 2.151 1.00 3.72 H new ATOM 0 HE3 LYS A 4 -10.746 -9.681 1.918 1.00 3.72 H new ATOM 0 HZ1 LYS A 4 -12.423 -9.308 0.229 1.00 4.09 H new ATOM 0 HZ2 LYS A 4 -11.007 -9.916 -0.485 1.00 4.09 H new ATOM 0 HZ3 LYS A 4 -12.348 -10.933 -0.259 1.00 4.09 H new ATOM 67 N PHE A 5 -7.212 -9.580 5.906 1.00 0.53 N ATOM 68 CA PHE A 5 -6.119 -8.682 6.263 1.00 0.42 C ATOM 69 C PHE A 5 -5.557 -9.037 7.635 1.00 0.40 C ATOM 70 O PHE A 5 -5.860 -8.382 8.633 1.00 0.49 O ATOM 71 CB PHE A 5 -6.606 -7.231 6.250 1.00 0.34 C ATOM 72 CG PHE A 5 -7.216 -6.820 4.940 1.00 0.33 C ATOM 73 CD1 PHE A 5 -6.417 -6.599 3.829 1.00 0.37 C ATOM 74 CD2 PHE A 5 -8.587 -6.656 4.820 1.00 0.35 C ATOM 75 CE1 PHE A 5 -6.975 -6.221 2.622 1.00 0.40 C ATOM 76 CE2 PHE A 5 -9.150 -6.279 3.615 1.00 0.39 C ATOM 77 CZ PHE A 5 -8.348 -6.061 2.518 1.00 0.40 C ATOM 0 H PHE A 5 -8.068 -9.434 6.441 1.00 0.53 H new ATOM 0 HA PHE A 5 -5.323 -8.795 5.527 1.00 0.42 H new ATOM 0 HB2 PHE A 5 -7.341 -7.095 7.044 1.00 0.34 H new ATOM 0 HB3 PHE A 5 -5.768 -6.572 6.475 1.00 0.34 H new ATOM 0 HD1 PHE A 5 -5.347 -6.723 3.907 1.00 0.37 H new ATOM 0 HD2 PHE A 5 -9.222 -6.825 5.677 1.00 0.35 H new ATOM 0 HE1 PHE A 5 -6.343 -6.051 1.763 1.00 0.40 H new ATOM 0 HE2 PHE A 5 -10.220 -6.155 3.534 1.00 0.39 H new ATOM 0 HZ PHE A 5 -8.788 -5.766 1.577 1.00 0.40 H new ATOM 87 N ASN A 6 -4.737 -10.082 7.673 1.00 0.35 N ATOM 88 CA ASN A 6 -4.133 -10.540 8.916 1.00 0.37 C ATOM 89 C ASN A 6 -3.057 -9.573 9.401 1.00 0.37 C ATOM 90 O ASN A 6 -2.943 -8.454 8.903 1.00 0.36 O ATOM 91 CB ASN A 6 -3.539 -11.937 8.731 1.00 0.36 C ATOM 92 CG ASN A 6 -2.413 -11.963 7.718 1.00 0.97 C ATOM 93 OD1 ASN A 6 -1.247 -11.775 8.063 1.00 1.73 O ATOM 94 ND2 ASN A 6 -2.756 -12.200 6.458 1.00 1.69 N ATOM 0 H ASN A 6 -4.475 -10.629 6.853 1.00 0.35 H new ATOM 0 HA ASN A 6 -4.916 -10.580 9.674 1.00 0.37 H new ATOM 0 HB2 ASN A 6 -3.168 -12.300 9.690 1.00 0.36 H new ATOM 0 HB3 ASN A 6 -4.325 -12.622 8.413 1.00 0.36 H new ATOM 0 HD21 ASN A 6 -2.040 -12.232 5.732 1.00 1.69 H new ATOM 0 HD22 ASN A 6 -3.735 -12.350 6.216 1.00 1.69 H new ATOM 101 N LYS A 7 -2.267 -10.017 10.375 1.00 0.40 N ATOM 102 CA LYS A 7 -1.205 -9.192 10.941 1.00 0.43 C ATOM 103 C LYS A 7 -0.011 -9.098 9.994 1.00 0.40 C ATOM 104 O LYS A 7 0.503 -8.008 9.740 1.00 0.38 O ATOM 105 CB LYS A 7 -0.758 -9.759 12.290 1.00 0.52 C ATOM 106 CG LYS A 7 0.353 -8.957 12.953 1.00 0.58 C ATOM 107 CD LYS A 7 -0.109 -7.559 13.335 1.00 0.60 C ATOM 108 CE LYS A 7 -1.164 -7.598 14.431 1.00 1.39 C ATOM 109 NZ LYS A 7 -1.642 -6.234 14.793 1.00 1.90 N ATOM 0 H LYS A 7 -2.343 -10.946 10.789 1.00 0.40 H new ATOM 0 HA LYS A 7 -1.603 -8.188 11.086 1.00 0.43 H new ATOM 0 HB2 LYS A 7 -1.616 -9.797 12.961 1.00 0.52 H new ATOM 0 HB3 LYS A 7 -0.419 -10.785 12.148 1.00 0.52 H new ATOM 0 HG2 LYS A 7 0.698 -9.482 13.844 1.00 0.58 H new ATOM 0 HG3 LYS A 7 1.204 -8.886 12.275 1.00 0.58 H new ATOM 0 HD2 LYS A 7 0.745 -6.972 13.672 1.00 0.60 H new ATOM 0 HD3 LYS A 7 -0.514 -7.056 12.457 1.00 0.60 H new ATOM 0 HE2 LYS A 7 -2.009 -8.202 14.100 1.00 1.39 H new ATOM 0 HE3 LYS A 7 -0.751 -8.084 15.315 1.00 1.39 H new ATOM 0 HZ1 LYS A 7 -2.359 -6.305 15.543 1.00 1.90 H new ATOM 0 HZ2 LYS A 7 -0.841 -5.664 15.133 1.00 1.90 H new ATOM 0 HZ3 LYS A 7 -2.060 -5.779 13.956 1.00 1.90 H new ATOM 123 N GLU A 8 0.422 -10.241 9.472 1.00 0.43 N ATOM 124 CA GLU A 8 1.562 -10.280 8.561 1.00 0.43 C ATOM 125 C GLU A 8 1.287 -9.464 7.306 1.00 0.37 C ATOM 126 O GLU A 8 2.207 -8.919 6.696 1.00 0.39 O ATOM 127 CB GLU A 8 1.895 -11.723 8.183 1.00 0.47 C ATOM 128 CG GLU A 8 2.108 -12.633 9.383 1.00 0.52 C ATOM 129 CD GLU A 8 2.518 -14.035 8.983 1.00 1.03 C ATOM 130 OE1 GLU A 8 1.622 -14.881 8.781 1.00 0.95 O ATOM 131 OE2 GLU A 8 3.736 -14.289 8.874 1.00 1.80 O ATOM 0 H GLU A 8 0.002 -11.151 9.663 1.00 0.43 H new ATOM 0 HA GLU A 8 2.417 -9.842 9.076 1.00 0.43 H new ATOM 0 HB2 GLU A 8 1.087 -12.125 7.571 1.00 0.47 H new ATOM 0 HB3 GLU A 8 2.795 -11.730 7.568 1.00 0.47 H new ATOM 0 HG2 GLU A 8 2.875 -12.204 10.028 1.00 0.52 H new ATOM 0 HG3 GLU A 8 1.189 -12.680 9.967 1.00 0.52 H new ATOM 138 N GLN A 9 0.018 -9.384 6.921 1.00 0.34 N ATOM 139 CA GLN A 9 -0.368 -8.622 5.739 1.00 0.33 C ATOM 140 C GLN A 9 -0.306 -7.128 6.026 1.00 0.30 C ATOM 141 O GLN A 9 -0.111 -6.318 5.120 1.00 0.32 O ATOM 142 CB GLN A 9 -1.770 -9.018 5.279 1.00 0.36 C ATOM 143 CG GLN A 9 -1.770 -9.947 4.077 1.00 0.38 C ATOM 144 CD GLN A 9 -3.163 -10.391 3.683 1.00 0.73 C ATOM 145 OE1 GLN A 9 -3.631 -11.449 4.100 1.00 1.44 O ATOM 146 NE2 GLN A 9 -3.837 -9.579 2.876 1.00 0.50 N ATOM 0 H GLN A 9 -0.757 -9.835 7.407 1.00 0.34 H new ATOM 0 HA GLN A 9 0.335 -8.851 4.938 1.00 0.33 H new ATOM 0 HB2 GLN A 9 -2.292 -9.503 6.104 1.00 0.36 H new ATOM 0 HB3 GLN A 9 -2.332 -8.117 5.033 1.00 0.36 H new ATOM 0 HG2 GLN A 9 -1.301 -9.442 3.232 1.00 0.38 H new ATOM 0 HG3 GLN A 9 -1.163 -10.824 4.301 1.00 0.38 H new ATOM 0 HE21 GLN A 9 -3.410 -8.710 2.554 1.00 0.50 H new ATOM 0 HE22 GLN A 9 -4.781 -9.824 2.579 1.00 0.50 H new ATOM 155 N GLN A 10 -0.476 -6.773 7.295 1.00 0.27 N ATOM 156 CA GLN A 10 -0.427 -5.378 7.709 1.00 0.25 C ATOM 157 C GLN A 10 1.018 -4.921 7.847 1.00 0.23 C ATOM 158 O GLN A 10 1.365 -3.802 7.469 1.00 0.26 O ATOM 159 CB GLN A 10 -1.171 -5.188 9.031 1.00 0.26 C ATOM 160 CG GLN A 10 -1.398 -3.731 9.395 1.00 0.26 C ATOM 161 CD GLN A 10 -2.089 -3.565 10.734 1.00 0.64 C ATOM 162 OE1 GLN A 10 -1.438 -3.497 11.777 1.00 1.18 O ATOM 163 NE2 GLN A 10 -3.415 -3.495 10.712 1.00 0.89 N ATOM 0 H GLN A 10 -0.649 -7.433 8.054 1.00 0.27 H new ATOM 0 HA GLN A 10 -0.915 -4.771 6.946 1.00 0.25 H new ATOM 0 HB2 GLN A 10 -2.135 -5.694 8.972 1.00 0.26 H new ATOM 0 HB3 GLN A 10 -0.606 -5.670 9.829 1.00 0.26 H new ATOM 0 HG2 GLN A 10 -0.439 -3.213 9.418 1.00 0.26 H new ATOM 0 HG3 GLN A 10 -1.998 -3.256 8.619 1.00 0.26 H new ATOM 0 HE21 GLN A 10 -3.914 -3.556 9.825 1.00 0.89 H new ATOM 0 HE22 GLN A 10 -3.934 -3.380 11.582 1.00 0.89 H new ATOM 172 N ASN A 11 1.855 -5.798 8.387 1.00 0.24 N ATOM 173 CA ASN A 11 3.267 -5.494 8.565 1.00 0.23 C ATOM 174 C ASN A 11 3.951 -5.360 7.212 1.00 0.21 C ATOM 175 O ASN A 11 4.698 -4.411 6.972 1.00 0.22 O ATOM 176 CB ASN A 11 3.945 -6.589 9.388 1.00 0.27 C ATOM 177 CG ASN A 11 3.305 -6.772 10.750 1.00 0.72 C ATOM 178 OD1 ASN A 11 2.778 -5.825 11.333 1.00 1.08 O ATOM 179 ND2 ASN A 11 3.347 -7.996 11.264 1.00 0.82 N ATOM 0 H ASN A 11 1.579 -6.726 8.709 1.00 0.24 H new ATOM 0 HA ASN A 11 3.354 -4.548 9.099 1.00 0.23 H new ATOM 0 HB2 ASN A 11 3.901 -7.530 8.840 1.00 0.27 H new ATOM 0 HB3 ASN A 11 4.999 -6.343 9.516 1.00 0.27 H new ATOM 0 HD21 ASN A 11 2.932 -8.180 12.177 1.00 0.82 H new ATOM 0 HD22 ASN A 11 3.794 -8.752 10.745 1.00 0.82 H new ATOM 186 N ALA A 12 3.690 -6.320 6.330 1.00 0.19 N ATOM 187 CA ALA A 12 4.273 -6.314 4.992 1.00 0.18 C ATOM 188 C ALA A 12 3.910 -5.038 4.240 1.00 0.15 C ATOM 189 O ALA A 12 4.753 -4.442 3.571 1.00 0.20 O ATOM 190 CB ALA A 12 3.816 -7.539 4.213 1.00 0.22 C ATOM 0 H ALA A 12 3.077 -7.114 6.518 1.00 0.19 H new ATOM 0 HA ALA A 12 5.358 -6.346 5.094 1.00 0.18 H new ATOM 0 HB1 ALA A 12 4.258 -7.522 3.217 1.00 0.22 H new ATOM 0 HB2 ALA A 12 4.133 -8.442 4.736 1.00 0.22 H new ATOM 0 HB3 ALA A 12 2.729 -7.532 4.128 1.00 0.22 H new ATOM 196 N PHE A 13 2.652 -4.628 4.355 1.00 0.13 N ATOM 197 CA PHE A 13 2.172 -3.420 3.691 1.00 0.11 C ATOM 198 C PHE A 13 3.041 -2.219 4.051 1.00 0.11 C ATOM 199 O PHE A 13 3.645 -1.594 3.180 1.00 0.15 O ATOM 200 CB PHE A 13 0.715 -3.154 4.082 1.00 0.14 C ATOM 201 CG PHE A 13 0.172 -1.850 3.567 1.00 0.12 C ATOM 202 CD1 PHE A 13 -0.353 -1.762 2.288 1.00 0.12 C ATOM 203 CD2 PHE A 13 0.190 -0.713 4.359 1.00 0.13 C ATOM 204 CE1 PHE A 13 -0.850 -0.566 1.808 1.00 0.11 C ATOM 205 CE2 PHE A 13 -0.305 0.486 3.885 1.00 0.13 C ATOM 206 CZ PHE A 13 -0.836 0.562 2.626 1.00 0.11 C ATOM 0 H PHE A 13 1.944 -5.116 4.903 1.00 0.13 H new ATOM 0 HA PHE A 13 2.232 -3.572 2.613 1.00 0.11 H new ATOM 0 HB2 PHE A 13 0.094 -3.968 3.707 1.00 0.14 H new ATOM 0 HB3 PHE A 13 0.633 -3.166 5.169 1.00 0.14 H new ATOM 0 HD1 PHE A 13 -0.374 -2.639 1.659 1.00 0.12 H new ATOM 0 HD2 PHE A 13 0.596 -0.765 5.358 1.00 0.13 H new ATOM 0 HE1 PHE A 13 -1.247 -0.506 0.805 1.00 0.11 H new ATOM 0 HE2 PHE A 13 -0.273 1.366 4.510 1.00 0.13 H new ATOM 0 HZ PHE A 13 -1.244 1.495 2.267 1.00 0.11 H new ATOM 216 N TYR A 14 3.104 -1.908 5.343 1.00 0.11 N ATOM 217 CA TYR A 14 3.888 -0.774 5.825 1.00 0.13 C ATOM 218 C TYR A 14 5.362 -0.906 5.451 1.00 0.13 C ATOM 219 O TYR A 14 5.945 0.014 4.883 1.00 0.17 O ATOM 220 CB TYR A 14 3.750 -0.641 7.342 1.00 0.16 C ATOM 221 CG TYR A 14 2.364 -0.242 7.796 1.00 0.19 C ATOM 222 CD1 TYR A 14 1.780 0.939 7.353 1.00 0.24 C ATOM 223 CD2 TYR A 14 1.637 -1.049 8.663 1.00 0.26 C ATOM 224 CE1 TYR A 14 0.510 1.302 7.760 1.00 0.31 C ATOM 225 CE2 TYR A 14 0.367 -0.691 9.074 1.00 0.32 C ATOM 226 CZ TYR A 14 -0.181 0.499 8.638 1.00 0.33 C ATOM 227 OH TYR A 14 -1.457 0.843 9.025 1.00 0.42 O ATOM 0 H TYR A 14 2.621 -2.426 6.076 1.00 0.11 H new ATOM 0 HA TYR A 14 3.497 0.122 5.343 1.00 0.13 H new ATOM 0 HB2 TYR A 14 4.015 -1.591 7.806 1.00 0.16 H new ATOM 0 HB3 TYR A 14 4.466 0.099 7.699 1.00 0.16 H new ATOM 0 HD1 TYR A 14 2.327 1.583 6.680 1.00 0.24 H new ATOM 0 HD2 TYR A 14 2.071 -1.971 9.021 1.00 0.26 H new ATOM 0 HE1 TYR A 14 0.062 2.212 7.390 1.00 0.31 H new ATOM 0 HE2 TYR A 14 -0.194 -1.338 9.732 1.00 0.32 H new ATOM 0 HH TYR A 14 -1.803 0.169 9.647 1.00 0.42 H new ATOM 237 N GLU A 15 5.958 -2.051 5.773 1.00 0.11 N ATOM 238 CA GLU A 15 7.368 -2.294 5.476 1.00 0.12 C ATOM 239 C GLU A 15 7.693 -1.984 4.017 1.00 0.12 C ATOM 240 O GLU A 15 8.802 -1.559 3.697 1.00 0.19 O ATOM 241 CB GLU A 15 7.735 -3.743 5.794 1.00 0.13 C ATOM 242 CG GLU A 15 7.727 -4.059 7.280 1.00 0.19 C ATOM 243 CD GLU A 15 8.080 -5.504 7.571 1.00 1.16 C ATOM 244 OE1 GLU A 15 9.287 -5.814 7.656 1.00 1.08 O ATOM 245 OE2 GLU A 15 7.151 -6.326 7.712 1.00 2.16 O ATOM 0 H GLU A 15 5.487 -2.826 6.240 1.00 0.11 H new ATOM 0 HA GLU A 15 7.958 -1.627 6.104 1.00 0.12 H new ATOM 0 HB2 GLU A 15 7.035 -4.406 5.286 1.00 0.13 H new ATOM 0 HB3 GLU A 15 8.725 -3.955 5.391 1.00 0.13 H new ATOM 0 HG2 GLU A 15 8.435 -3.406 7.790 1.00 0.19 H new ATOM 0 HG3 GLU A 15 6.740 -3.841 7.689 1.00 0.19 H new ATOM 252 N ILE A 16 6.719 -2.198 3.139 1.00 0.10 N ATOM 253 CA ILE A 16 6.902 -1.939 1.716 1.00 0.09 C ATOM 254 C ILE A 16 6.862 -0.441 1.422 1.00 0.12 C ATOM 255 O ILE A 16 7.528 0.041 0.505 1.00 0.16 O ATOM 256 CB ILE A 16 5.833 -2.679 0.880 1.00 0.10 C ATOM 257 CG1 ILE A 16 6.113 -4.185 0.901 1.00 0.12 C ATOM 258 CG2 ILE A 16 5.801 -2.158 -0.551 1.00 0.12 C ATOM 259 CD1 ILE A 16 4.981 -5.028 0.356 1.00 0.14 C ATOM 0 H ILE A 16 5.795 -2.550 3.388 1.00 0.10 H new ATOM 0 HA ILE A 16 7.884 -2.317 1.433 1.00 0.09 H new ATOM 0 HB ILE A 16 4.854 -2.493 1.322 1.00 0.10 H new ATOM 0 HG12 ILE A 16 7.014 -4.385 0.321 1.00 0.12 H new ATOM 0 HG13 ILE A 16 6.320 -4.492 1.926 1.00 0.12 H new ATOM 0 HG21 ILE A 16 5.040 -2.696 -1.117 1.00 0.12 H new ATOM 0 HG22 ILE A 16 5.565 -1.094 -0.546 1.00 0.12 H new ATOM 0 HG23 ILE A 16 6.775 -2.311 -1.016 1.00 0.12 H new ATOM 0 HD11 ILE A 16 5.256 -6.082 0.405 1.00 0.14 H new ATOM 0 HD12 ILE A 16 4.083 -4.859 0.950 1.00 0.14 H new ATOM 0 HD13 ILE A 16 4.787 -4.751 -0.680 1.00 0.14 H new ATOM 271 N LEU A 17 6.083 0.293 2.210 1.00 0.14 N ATOM 272 CA LEU A 17 5.966 1.738 2.044 1.00 0.19 C ATOM 273 C LEU A 17 7.171 2.456 2.654 1.00 0.18 C ATOM 274 O LEU A 17 7.619 3.483 2.144 1.00 0.26 O ATOM 275 CB LEU A 17 4.681 2.246 2.697 1.00 0.27 C ATOM 276 CG LEU A 17 3.453 2.249 1.787 1.00 0.35 C ATOM 277 CD1 LEU A 17 2.806 0.874 1.751 1.00 0.80 C ATOM 278 CD2 LEU A 17 2.459 3.302 2.246 1.00 0.77 C ATOM 0 H LEU A 17 5.522 -0.090 2.971 1.00 0.14 H new ATOM 0 HA LEU A 17 5.935 1.952 0.976 1.00 0.19 H new ATOM 0 HB2 LEU A 17 4.466 1.630 3.570 1.00 0.27 H new ATOM 0 HB3 LEU A 17 4.851 3.261 3.057 1.00 0.27 H new ATOM 0 HG LEU A 17 3.773 2.496 0.775 1.00 0.35 H new ATOM 0 HD11 LEU A 17 1.934 0.899 1.097 1.00 0.80 H new ATOM 0 HD12 LEU A 17 3.522 0.145 1.373 1.00 0.80 H new ATOM 0 HD13 LEU A 17 2.497 0.591 2.757 1.00 0.80 H new ATOM 0 HD21 LEU A 17 1.590 3.293 1.589 1.00 0.77 H new ATOM 0 HD22 LEU A 17 2.144 3.085 3.267 1.00 0.77 H new ATOM 0 HD23 LEU A 17 2.929 4.285 2.212 1.00 0.77 H new ATOM 290 N HIS A 18 7.691 1.904 3.749 1.00 0.16 N ATOM 291 CA HIS A 18 8.837 2.489 4.442 1.00 0.16 C ATOM 292 C HIS A 18 10.085 2.492 3.561 1.00 0.13 C ATOM 293 O HIS A 18 10.963 3.338 3.726 1.00 0.15 O ATOM 294 CB HIS A 18 9.123 1.726 5.739 1.00 0.17 C ATOM 295 CG HIS A 18 8.244 2.124 6.885 1.00 0.25 C ATOM 296 ND1 HIS A 18 8.720 2.764 8.010 1.00 0.58 N ATOM 297 CD2 HIS A 18 6.914 1.961 7.085 1.00 0.28 C ATOM 298 CE1 HIS A 18 7.723 2.976 8.850 1.00 0.60 C ATOM 299 NE2 HIS A 18 6.616 2.498 8.313 1.00 0.33 N ATOM 0 H HIS A 18 7.335 1.049 4.177 1.00 0.16 H new ATOM 0 HA HIS A 18 8.584 3.523 4.677 1.00 0.16 H new ATOM 0 HB2 HIS A 18 9.002 0.658 5.555 1.00 0.17 H new ATOM 0 HB3 HIS A 18 10.164 1.885 6.020 1.00 0.17 H new ATOM 0 HD1 HIS A 18 9.691 3.032 8.169 1.00 0.58 H new ATOM 0 HD2 HIS A 18 6.217 1.495 6.404 1.00 0.28 H new ATOM 0 HE1 HIS A 18 7.800 3.459 9.813 1.00 0.60 H new ATOM 308 N LEU A 19 10.160 1.542 2.632 1.00 0.14 N ATOM 309 CA LEU A 19 11.305 1.444 1.732 1.00 0.14 C ATOM 310 C LEU A 19 11.576 2.786 1.047 1.00 0.16 C ATOM 311 O LEU A 19 10.773 3.246 0.234 1.00 0.18 O ATOM 312 CB LEU A 19 11.065 0.351 0.686 1.00 0.12 C ATOM 313 CG LEU A 19 10.896 -1.059 1.257 1.00 0.11 C ATOM 314 CD1 LEU A 19 10.609 -2.057 0.148 1.00 0.13 C ATOM 315 CD2 LEU A 19 12.136 -1.471 2.039 1.00 0.12 C ATOM 0 H LEU A 19 9.444 0.831 2.483 1.00 0.14 H new ATOM 0 HA LEU A 19 12.183 1.180 2.322 1.00 0.14 H new ATOM 0 HB2 LEU A 19 10.173 0.605 0.114 1.00 0.12 H new ATOM 0 HB3 LEU A 19 11.901 0.347 -0.013 1.00 0.12 H new ATOM 0 HG LEU A 19 10.045 -1.052 1.938 1.00 0.11 H new ATOM 0 HD11 LEU A 19 10.492 -3.053 0.576 1.00 0.13 H new ATOM 0 HD12 LEU A 19 9.691 -1.774 -0.368 1.00 0.13 H new ATOM 0 HD13 LEU A 19 11.437 -2.061 -0.561 1.00 0.13 H new ATOM 0 HD21 LEU A 19 11.998 -2.476 2.437 1.00 0.12 H new ATOM 0 HD22 LEU A 19 13.003 -1.459 1.379 1.00 0.12 H new ATOM 0 HD23 LEU A 19 12.296 -0.774 2.861 1.00 0.12 H new ATOM 327 N PRO A 20 12.715 3.434 1.368 1.00 0.18 N ATOM 328 CA PRO A 20 13.074 4.734 0.795 1.00 0.21 C ATOM 329 C PRO A 20 13.669 4.623 -0.605 1.00 0.21 C ATOM 330 O PRO A 20 13.270 5.345 -1.519 1.00 0.23 O ATOM 331 CB PRO A 20 14.120 5.258 1.777 1.00 0.24 C ATOM 332 CG PRO A 20 14.794 4.032 2.292 1.00 0.22 C ATOM 333 CD PRO A 20 13.747 2.947 2.309 1.00 0.19 C ATOM 0 HA PRO A 20 12.205 5.380 0.673 1.00 0.21 H new ATOM 0 HB2 PRO A 20 14.829 5.924 1.284 1.00 0.24 H new ATOM 0 HB3 PRO A 20 13.658 5.826 2.584 1.00 0.24 H new ATOM 0 HG2 PRO A 20 15.633 3.753 1.654 1.00 0.22 H new ATOM 0 HG3 PRO A 20 15.196 4.200 3.291 1.00 0.22 H new ATOM 0 HD2 PRO A 20 14.159 1.989 1.990 1.00 0.19 H new ATOM 0 HD3 PRO A 20 13.339 2.801 3.309 1.00 0.19 H new ATOM 341 N ASN A 21 14.626 3.716 -0.764 1.00 0.20 N ATOM 342 CA ASN A 21 15.286 3.515 -2.047 1.00 0.21 C ATOM 343 C ASN A 21 14.300 3.017 -3.098 1.00 0.20 C ATOM 344 O ASN A 21 14.503 3.219 -4.295 1.00 0.23 O ATOM 345 CB ASN A 21 16.441 2.528 -1.891 1.00 0.21 C ATOM 346 CG ASN A 21 17.443 2.981 -0.846 1.00 0.26 C ATOM 347 OD1 ASN A 21 17.633 4.178 -0.630 1.00 0.30 O ATOM 348 ND2 ASN A 21 18.091 2.024 -0.191 1.00 0.26 N ATOM 0 H ASN A 21 14.962 3.107 -0.018 1.00 0.20 H new ATOM 0 HA ASN A 21 15.680 4.474 -2.384 1.00 0.21 H new ATOM 0 HB2 ASN A 21 16.047 1.550 -1.614 1.00 0.21 H new ATOM 0 HB3 ASN A 21 16.947 2.408 -2.849 1.00 0.21 H new ATOM 0 HD21 ASN A 21 18.777 2.269 0.523 1.00 0.26 H new ATOM 0 HD22 ASN A 21 17.902 1.044 -0.402 1.00 0.26 H new ATOM 355 N LEU A 22 13.231 2.368 -2.646 1.00 0.18 N ATOM 356 CA LEU A 22 12.213 1.857 -3.551 1.00 0.17 C ATOM 357 C LEU A 22 11.307 2.990 -4.000 1.00 0.20 C ATOM 358 O LEU A 22 10.840 3.780 -3.180 1.00 0.26 O ATOM 359 CB LEU A 22 11.376 0.773 -2.869 1.00 0.17 C ATOM 360 CG LEU A 22 10.642 -0.173 -3.822 1.00 0.17 C ATOM 361 CD1 LEU A 22 11.586 -1.247 -4.338 1.00 0.29 C ATOM 362 CD2 LEU A 22 9.440 -0.798 -3.130 1.00 0.26 C ATOM 0 H LEU A 22 13.050 2.185 -1.659 1.00 0.18 H new ATOM 0 HA LEU A 22 12.711 1.421 -4.417 1.00 0.17 H new ATOM 0 HB2 LEU A 22 12.028 0.182 -2.226 1.00 0.17 H new ATOM 0 HB3 LEU A 22 10.642 1.255 -2.223 1.00 0.17 H new ATOM 0 HG LEU A 22 10.283 0.404 -4.675 1.00 0.17 H new ATOM 0 HD11 LEU A 22 11.047 -1.911 -5.014 1.00 0.29 H new ATOM 0 HD12 LEU A 22 12.413 -0.779 -4.872 1.00 0.29 H new ATOM 0 HD13 LEU A 22 11.976 -1.823 -3.499 1.00 0.29 H new ATOM 0 HD21 LEU A 22 8.929 -1.468 -3.822 1.00 0.26 H new ATOM 0 HD22 LEU A 22 9.774 -1.362 -2.259 1.00 0.26 H new ATOM 0 HD23 LEU A 22 8.754 -0.013 -2.813 1.00 0.26 H new ATOM 374 N ASN A 23 11.057 3.070 -5.299 1.00 0.22 N ATOM 375 CA ASN A 23 10.207 4.125 -5.833 1.00 0.27 C ATOM 376 C ASN A 23 8.737 3.737 -5.746 1.00 0.24 C ATOM 377 O ASN A 23 8.386 2.722 -5.144 1.00 0.29 O ATOM 378 CB ASN A 23 10.582 4.453 -7.277 1.00 0.33 C ATOM 379 CG ASN A 23 10.632 3.224 -8.162 1.00 0.75 C ATOM 380 OD1 ASN A 23 9.518 2.924 -8.814 1.00 1.59 O flip ATOM 381 ND2 ASN A 23 11.661 2.557 -8.261 1.00 1.33 N flip ATOM 0 H ASN A 23 11.426 2.424 -5.997 1.00 0.22 H new ATOM 0 HA ASN A 23 10.366 5.016 -5.225 1.00 0.27 H new ATOM 0 HB2 ASN A 23 9.859 5.160 -7.684 1.00 0.33 H new ATOM 0 HB3 ASN A 23 11.554 4.947 -7.293 1.00 0.33 H new ATOM 0 HD21 ASN A 23 12.495 2.826 -7.740 1.00 1.33 H new ATOM 0 HD22 ASN A 23 11.680 1.735 -8.864 1.00 1.33 H new ATOM 388 N GLU A 24 7.884 4.550 -6.349 1.00 0.29 N ATOM 389 CA GLU A 24 6.449 4.304 -6.329 1.00 0.29 C ATOM 390 C GLU A 24 6.045 3.250 -7.358 1.00 0.24 C ATOM 391 O GLU A 24 5.169 2.429 -7.100 1.00 0.22 O ATOM 392 CB GLU A 24 5.700 5.605 -6.592 1.00 0.36 C ATOM 393 CG GLU A 24 6.057 6.217 -7.924 1.00 1.23 C ATOM 394 CD GLU A 24 5.850 7.717 -7.956 1.00 1.42 C ATOM 395 OE1 GLU A 24 4.734 8.154 -8.307 1.00 2.17 O ATOM 396 OE2 GLU A 24 6.802 8.455 -7.630 1.00 1.25 O ATOM 0 H GLU A 24 8.161 5.388 -6.860 1.00 0.29 H new ATOM 0 HA GLU A 24 6.186 3.923 -5.342 1.00 0.29 H new ATOM 0 HB2 GLU A 24 4.627 5.416 -6.558 1.00 0.36 H new ATOM 0 HB3 GLU A 24 5.924 6.316 -5.797 1.00 0.36 H new ATOM 0 HG2 GLU A 24 7.099 5.994 -8.153 1.00 1.23 H new ATOM 0 HG3 GLU A 24 5.453 5.755 -8.705 1.00 1.23 H new ATOM 403 N GLU A 25 6.687 3.278 -8.525 1.00 0.27 N ATOM 404 CA GLU A 25 6.379 2.322 -9.587 1.00 0.28 C ATOM 405 C GLU A 25 6.594 0.889 -9.111 1.00 0.24 C ATOM 406 O GLU A 25 5.798 -0.001 -9.416 1.00 0.30 O ATOM 407 CB GLU A 25 7.235 2.600 -10.825 1.00 0.36 C ATOM 408 CG GLU A 25 7.021 3.987 -11.409 1.00 0.91 C ATOM 409 CD GLU A 25 7.854 4.232 -12.651 1.00 1.60 C ATOM 410 OE1 GLU A 25 9.000 4.708 -12.513 1.00 2.20 O ATOM 411 OE2 GLU A 25 7.358 3.950 -13.762 1.00 2.00 O ATOM 0 H GLU A 25 7.420 3.948 -8.758 1.00 0.27 H new ATOM 0 HA GLU A 25 5.329 2.442 -9.852 1.00 0.28 H new ATOM 0 HB2 GLU A 25 8.287 2.482 -10.564 1.00 0.36 H new ATOM 0 HB3 GLU A 25 7.010 1.854 -11.588 1.00 0.36 H new ATOM 0 HG2 GLU A 25 5.966 4.116 -11.652 1.00 0.91 H new ATOM 0 HG3 GLU A 25 7.268 4.736 -10.657 1.00 0.91 H new ATOM 418 N GLN A 26 7.672 0.669 -8.364 1.00 0.18 N ATOM 419 CA GLN A 26 7.980 -0.655 -7.838 1.00 0.15 C ATOM 420 C GLN A 26 7.056 -0.983 -6.677 1.00 0.13 C ATOM 421 O GLN A 26 6.490 -2.073 -6.604 1.00 0.16 O ATOM 422 CB GLN A 26 9.439 -0.717 -7.386 1.00 0.15 C ATOM 423 CG GLN A 26 10.424 -0.549 -8.530 1.00 0.19 C ATOM 424 CD GLN A 26 11.859 -0.420 -8.059 1.00 1.03 C ATOM 425 OE1 GLN A 26 12.124 0.096 -6.974 1.00 2.00 O ATOM 426 NE2 GLN A 26 12.793 -0.892 -8.876 1.00 1.59 N ATOM 0 H GLN A 26 8.346 1.391 -8.110 1.00 0.18 H new ATOM 0 HA GLN A 26 7.827 -1.391 -8.627 1.00 0.15 H new ATOM 0 HB2 GLN A 26 9.617 0.061 -6.644 1.00 0.15 H new ATOM 0 HB3 GLN A 26 9.621 -1.673 -6.895 1.00 0.15 H new ATOM 0 HG2 GLN A 26 10.343 -1.404 -9.201 1.00 0.19 H new ATOM 0 HG3 GLN A 26 10.155 0.336 -9.107 1.00 0.19 H new ATOM 0 HE21 GLN A 26 12.527 -1.312 -9.767 1.00 1.59 H new ATOM 0 HE22 GLN A 26 13.777 -0.835 -8.613 1.00 1.59 H new ATOM 435 N ARG A 27 6.915 -0.023 -5.771 1.00 0.13 N ATOM 436 CA ARG A 27 6.052 -0.179 -4.607 1.00 0.13 C ATOM 437 C ARG A 27 4.619 -0.497 -5.027 1.00 0.14 C ATOM 438 O ARG A 27 3.906 -1.223 -4.335 1.00 0.23 O ATOM 439 CB ARG A 27 6.077 1.099 -3.771 1.00 0.14 C ATOM 440 CG ARG A 27 5.153 1.068 -2.568 1.00 0.18 C ATOM 441 CD ARG A 27 5.203 2.379 -1.804 1.00 0.41 C ATOM 442 NE ARG A 27 6.568 2.731 -1.421 1.00 1.59 N ATOM 443 CZ ARG A 27 7.105 3.933 -1.612 1.00 1.94 C ATOM 444 NH1 ARG A 27 6.410 4.890 -2.211 1.00 1.37 N ATOM 445 NH2 ARG A 27 8.345 4.175 -1.212 1.00 3.04 N ATOM 0 H ARG A 27 7.391 0.878 -5.821 1.00 0.13 H new ATOM 0 HA ARG A 27 6.426 -1.012 -4.011 1.00 0.13 H new ATOM 0 HB2 ARG A 27 7.096 1.277 -3.429 1.00 0.14 H new ATOM 0 HB3 ARG A 27 5.802 1.941 -4.406 1.00 0.14 H new ATOM 0 HG2 ARG A 27 4.132 0.873 -2.895 1.00 0.18 H new ATOM 0 HG3 ARG A 27 5.438 0.248 -1.908 1.00 0.18 H new ATOM 0 HD2 ARG A 27 4.781 3.174 -2.419 1.00 0.41 H new ATOM 0 HD3 ARG A 27 4.583 2.303 -0.911 1.00 0.41 H new ATOM 0 HE ARG A 27 7.143 2.013 -0.981 1.00 1.59 H new ATOM 0 HH11 ARG A 27 5.458 4.707 -2.528 1.00 1.37 H new ATOM 0 HH12 ARG A 27 6.827 5.810 -2.355 1.00 1.37 H new ATOM 0 HH21 ARG A 27 8.887 3.440 -0.758 1.00 3.04 H new ATOM 0 HH22 ARG A 27 8.757 5.096 -1.358 1.00 3.04 H new ATOM 459 N ASN A 28 4.206 0.051 -6.166 1.00 0.13 N ATOM 460 CA ASN A 28 2.859 -0.167 -6.681 1.00 0.15 C ATOM 461 C ASN A 28 2.669 -1.613 -7.122 1.00 0.15 C ATOM 462 O ASN A 28 1.597 -2.190 -6.943 1.00 0.21 O ATOM 463 CB ASN A 28 2.574 0.775 -7.852 1.00 0.19 C ATOM 464 CG ASN A 28 2.160 2.161 -7.399 1.00 0.20 C ATOM 465 OD1 ASN A 28 1.384 2.838 -8.074 1.00 0.26 O ATOM 466 ND2 ASN A 28 2.677 2.594 -6.257 1.00 0.19 N ATOM 0 H ASN A 28 4.787 0.651 -6.751 1.00 0.13 H new ATOM 0 HA ASN A 28 2.156 0.044 -5.875 1.00 0.15 H new ATOM 0 HB2 ASN A 28 3.464 0.852 -8.476 1.00 0.19 H new ATOM 0 HB3 ASN A 28 1.785 0.349 -8.472 1.00 0.19 H new ATOM 0 HD21 ASN A 28 2.435 3.521 -5.907 1.00 0.19 H new ATOM 0 HD22 ASN A 28 3.316 2.000 -5.729 1.00 0.19 H new ATOM 473 N ALA A 29 3.717 -2.193 -7.698 1.00 0.12 N ATOM 474 CA ALA A 29 3.661 -3.573 -8.163 1.00 0.12 C ATOM 475 C ALA A 29 3.513 -4.534 -6.990 1.00 0.11 C ATOM 476 O ALA A 29 2.749 -5.497 -7.058 1.00 0.15 O ATOM 477 CB ALA A 29 4.901 -3.911 -8.973 1.00 0.15 C ATOM 0 H ALA A 29 4.612 -1.730 -7.853 1.00 0.12 H new ATOM 0 HA ALA A 29 2.787 -3.681 -8.805 1.00 0.12 H new ATOM 0 HB1 ALA A 29 4.843 -4.945 -9.313 1.00 0.15 H new ATOM 0 HB2 ALA A 29 4.963 -3.249 -9.836 1.00 0.15 H new ATOM 0 HB3 ALA A 29 5.788 -3.782 -8.352 1.00 0.15 H new ATOM 483 N PHE A 30 4.248 -4.267 -5.913 1.00 0.10 N ATOM 484 CA PHE A 30 4.189 -5.109 -4.725 1.00 0.10 C ATOM 485 C PHE A 30 2.833 -4.975 -4.039 1.00 0.12 C ATOM 486 O PHE A 30 2.211 -5.974 -3.678 1.00 0.18 O ATOM 487 CB PHE A 30 5.317 -4.751 -3.754 1.00 0.12 C ATOM 488 CG PHE A 30 6.686 -5.071 -4.286 1.00 0.12 C ATOM 489 CD1 PHE A 30 7.071 -6.386 -4.489 1.00 0.12 C ATOM 490 CD2 PHE A 30 7.585 -4.060 -4.585 1.00 0.18 C ATOM 491 CE1 PHE A 30 8.327 -6.687 -4.980 1.00 0.16 C ATOM 492 CE2 PHE A 30 8.843 -4.355 -5.075 1.00 0.21 C ATOM 493 CZ PHE A 30 9.214 -5.670 -5.273 1.00 0.20 C ATOM 0 H PHE A 30 4.889 -3.477 -5.840 1.00 0.10 H new ATOM 0 HA PHE A 30 4.318 -6.146 -5.035 1.00 0.10 H new ATOM 0 HB2 PHE A 30 5.264 -3.687 -3.524 1.00 0.12 H new ATOM 0 HB3 PHE A 30 5.164 -5.288 -2.818 1.00 0.12 H new ATOM 0 HD1 PHE A 30 6.381 -7.185 -4.261 1.00 0.12 H new ATOM 0 HD2 PHE A 30 7.299 -3.030 -4.433 1.00 0.18 H new ATOM 0 HE1 PHE A 30 8.615 -7.716 -5.134 1.00 0.16 H new ATOM 0 HE2 PHE A 30 9.535 -3.558 -5.303 1.00 0.21 H new ATOM 0 HZ PHE A 30 10.196 -5.903 -5.656 1.00 0.20 H new ATOM 503 N ILE A 31 2.378 -3.737 -3.861 1.00 0.10 N ATOM 504 CA ILE A 31 1.087 -3.479 -3.233 1.00 0.11 C ATOM 505 C ILE A 31 -0.031 -4.150 -4.029 1.00 0.11 C ATOM 506 O ILE A 31 -0.987 -4.675 -3.459 1.00 0.16 O ATOM 507 CB ILE A 31 0.809 -1.961 -3.120 1.00 0.11 C ATOM 508 CG1 ILE A 31 1.758 -1.323 -2.102 1.00 0.12 C ATOM 509 CG2 ILE A 31 -0.642 -1.698 -2.736 1.00 0.13 C ATOM 510 CD1 ILE A 31 1.577 0.173 -1.954 1.00 0.13 C ATOM 0 H ILE A 31 2.885 -2.898 -4.143 1.00 0.10 H new ATOM 0 HA ILE A 31 1.117 -3.897 -2.227 1.00 0.11 H new ATOM 0 HB ILE A 31 0.986 -1.508 -4.096 1.00 0.11 H new ATOM 0 HG12 ILE A 31 1.607 -1.796 -1.132 1.00 0.12 H new ATOM 0 HG13 ILE A 31 2.786 -1.528 -2.399 1.00 0.12 H new ATOM 0 HG21 ILE A 31 -0.810 -0.623 -2.663 1.00 0.13 H new ATOM 0 HG22 ILE A 31 -1.301 -2.118 -3.496 1.00 0.13 H new ATOM 0 HG23 ILE A 31 -0.854 -2.164 -1.774 1.00 0.13 H new ATOM 0 HD11 ILE A 31 2.283 0.554 -1.216 1.00 0.13 H new ATOM 0 HD12 ILE A 31 1.758 0.658 -2.913 1.00 0.13 H new ATOM 0 HD13 ILE A 31 0.560 0.386 -1.626 1.00 0.13 H new ATOM 522 N GLN A 32 0.106 -4.124 -5.351 1.00 0.08 N ATOM 523 CA GLN A 32 -0.870 -4.730 -6.243 1.00 0.09 C ATOM 524 C GLN A 32 -0.990 -6.232 -5.994 1.00 0.11 C ATOM 525 O GLN A 32 -2.084 -6.750 -5.773 1.00 0.19 O ATOM 526 CB GLN A 32 -0.460 -4.480 -7.694 1.00 0.11 C ATOM 527 CG GLN A 32 -1.633 -4.431 -8.649 1.00 0.15 C ATOM 528 CD GLN A 32 -1.215 -4.168 -10.076 1.00 0.29 C ATOM 529 OE1 GLN A 32 -1.235 -2.905 -10.470 1.00 0.82 O flip ATOM 530 NE2 GLN A 32 -0.888 -5.091 -10.821 1.00 1.04 N flip ATOM 0 H GLN A 32 0.892 -3.685 -5.829 1.00 0.08 H new ATOM 0 HA GLN A 32 -1.841 -4.275 -6.048 1.00 0.09 H new ATOM 0 HB2 GLN A 32 0.086 -3.539 -7.753 1.00 0.11 H new ATOM 0 HB3 GLN A 32 0.225 -5.266 -8.011 1.00 0.11 H new ATOM 0 HG2 GLN A 32 -2.174 -5.376 -8.602 1.00 0.15 H new ATOM 0 HG3 GLN A 32 -2.325 -3.652 -8.328 1.00 0.15 H new ATOM 0 HE21 GLN A 32 -0.887 -6.050 -10.474 1.00 1.04 H new ATOM 0 HE22 GLN A 32 -0.618 -4.897 -11.785 1.00 1.04 H new ATOM 539 N SER A 33 0.145 -6.923 -6.035 1.00 0.09 N ATOM 540 CA SER A 33 0.173 -8.367 -5.826 1.00 0.11 C ATOM 541 C SER A 33 -0.117 -8.725 -4.372 1.00 0.10 C ATOM 542 O SER A 33 -0.434 -9.872 -4.059 1.00 0.15 O ATOM 543 CB SER A 33 1.530 -8.934 -6.245 1.00 0.13 C ATOM 544 OG SER A 33 1.580 -10.336 -6.046 1.00 1.19 O ATOM 0 H SER A 33 1.059 -6.506 -6.211 1.00 0.09 H new ATOM 0 HA SER A 33 -0.608 -8.810 -6.444 1.00 0.11 H new ATOM 0 HB2 SER A 33 1.715 -8.706 -7.295 1.00 0.13 H new ATOM 0 HB3 SER A 33 2.322 -8.453 -5.670 1.00 0.13 H new ATOM 0 HG SER A 33 2.180 -10.739 -6.707 1.00 1.19 H new ATOM 550 N LEU A 34 -0.002 -7.742 -3.484 1.00 0.10 N ATOM 551 CA LEU A 34 -0.257 -7.965 -2.065 1.00 0.11 C ATOM 552 C LEU A 34 -1.757 -8.067 -1.802 1.00 0.13 C ATOM 553 O LEU A 34 -2.197 -8.795 -0.911 1.00 0.18 O ATOM 554 CB LEU A 34 0.339 -6.824 -1.235 1.00 0.10 C ATOM 555 CG LEU A 34 0.961 -7.234 0.104 1.00 0.13 C ATOM 556 CD1 LEU A 34 1.529 -6.019 0.818 1.00 0.16 C ATOM 557 CD2 LEU A 34 -0.062 -7.936 0.985 1.00 0.17 C ATOM 0 H LEU A 34 0.265 -6.787 -3.721 1.00 0.10 H new ATOM 0 HA LEU A 34 0.216 -8.903 -1.773 1.00 0.11 H new ATOM 0 HB2 LEU A 34 1.102 -6.325 -1.832 1.00 0.10 H new ATOM 0 HB3 LEU A 34 -0.445 -6.091 -1.042 1.00 0.10 H new ATOM 0 HG LEU A 34 1.773 -7.933 -0.098 1.00 0.13 H new ATOM 0 HD11 LEU A 34 1.967 -6.327 1.767 1.00 0.16 H new ATOM 0 HD12 LEU A 34 2.297 -5.558 0.197 1.00 0.16 H new ATOM 0 HD13 LEU A 34 0.731 -5.300 1.003 1.00 0.16 H new ATOM 0 HD21 LEU A 34 0.403 -8.217 1.930 1.00 0.17 H new ATOM 0 HD22 LEU A 34 -0.898 -7.264 1.178 1.00 0.17 H new ATOM 0 HD23 LEU A 34 -0.425 -8.831 0.479 1.00 0.17 H new ATOM 569 N LYS A 35 -2.534 -7.336 -2.592 1.00 0.15 N ATOM 570 CA LYS A 35 -3.986 -7.325 -2.452 1.00 0.19 C ATOM 571 C LYS A 35 -4.620 -8.518 -3.164 1.00 0.22 C ATOM 572 O LYS A 35 -5.531 -9.155 -2.636 1.00 0.31 O ATOM 573 CB LYS A 35 -4.546 -6.018 -3.015 1.00 0.23 C ATOM 574 CG LYS A 35 -6.025 -5.810 -2.740 1.00 0.23 C ATOM 575 CD LYS A 35 -6.296 -5.629 -1.255 1.00 0.24 C ATOM 576 CE LYS A 35 -7.723 -5.178 -0.999 1.00 0.22 C ATOM 577 NZ LYS A 35 -8.714 -6.218 -1.390 1.00 0.46 N ATOM 0 H LYS A 35 -2.181 -6.740 -3.340 1.00 0.15 H new ATOM 0 HA LYS A 35 -4.230 -7.400 -1.392 1.00 0.19 H new ATOM 0 HB2 LYS A 35 -3.987 -5.183 -2.592 1.00 0.23 H new ATOM 0 HB3 LYS A 35 -4.381 -5.998 -4.092 1.00 0.23 H new ATOM 0 HG2 LYS A 35 -6.378 -4.934 -3.285 1.00 0.23 H new ATOM 0 HG3 LYS A 35 -6.589 -6.665 -3.112 1.00 0.23 H new ATOM 0 HD2 LYS A 35 -6.111 -6.568 -0.734 1.00 0.24 H new ATOM 0 HD3 LYS A 35 -5.602 -4.895 -0.845 1.00 0.24 H new ATOM 0 HE2 LYS A 35 -7.844 -4.940 0.058 1.00 0.22 H new ATOM 0 HE3 LYS A 35 -7.919 -4.262 -1.556 1.00 0.22 H new ATOM 0 HZ1 LYS A 35 -9.418 -5.802 -2.033 1.00 0.46 H new ATOM 0 HZ2 LYS A 35 -8.225 -7.000 -1.871 1.00 0.46 H new ATOM 0 HZ3 LYS A 35 -9.192 -6.579 -0.540 1.00 0.46 H new ATOM 591 N ASP A 36 -4.132 -8.814 -4.366 1.00 0.23 N ATOM 592 CA ASP A 36 -4.652 -9.930 -5.153 1.00 0.28 C ATOM 593 C ASP A 36 -4.097 -11.259 -4.648 1.00 0.25 C ATOM 594 O ASP A 36 -4.807 -12.264 -4.605 1.00 0.33 O ATOM 595 CB ASP A 36 -4.301 -9.746 -6.630 1.00 0.34 C ATOM 596 CG ASP A 36 -4.972 -8.529 -7.237 1.00 1.07 C ATOM 597 OD1 ASP A 36 -6.117 -8.660 -7.718 1.00 0.96 O ATOM 598 OD2 ASP A 36 -4.352 -7.446 -7.232 1.00 2.07 O ATOM 0 H ASP A 36 -3.377 -8.297 -4.817 1.00 0.23 H new ATOM 0 HA ASP A 36 -5.736 -9.945 -5.043 1.00 0.28 H new ATOM 0 HB2 ASP A 36 -3.220 -9.651 -6.735 1.00 0.34 H new ATOM 0 HB3 ASP A 36 -4.598 -10.636 -7.185 1.00 0.34 H new ATOM 603 N ASP A 37 -2.824 -11.251 -4.267 1.00 0.20 N ATOM 604 CA ASP A 37 -2.165 -12.450 -3.762 1.00 0.22 C ATOM 605 C ASP A 37 -1.615 -12.209 -2.357 1.00 0.18 C ATOM 606 O ASP A 37 -0.405 -12.088 -2.167 1.00 0.16 O ATOM 607 CB ASP A 37 -1.038 -12.874 -4.706 1.00 0.27 C ATOM 608 CG ASP A 37 -1.560 -13.369 -6.041 1.00 0.76 C ATOM 609 OD1 ASP A 37 -1.964 -12.526 -6.869 1.00 1.29 O ATOM 610 OD2 ASP A 37 -1.561 -14.599 -6.258 1.00 0.91 O ATOM 0 H ASP A 37 -2.227 -10.425 -4.299 1.00 0.20 H new ATOM 0 HA ASP A 37 -2.901 -13.252 -3.712 1.00 0.22 H new ATOM 0 HB2 ASP A 37 -0.368 -12.030 -4.871 1.00 0.27 H new ATOM 0 HB3 ASP A 37 -0.449 -13.661 -4.235 1.00 0.27 H new ATOM 615 N PRO A 38 -2.508 -12.128 -1.353 1.00 0.21 N ATOM 616 CA PRO A 38 -2.121 -11.897 0.045 1.00 0.21 C ATOM 617 C PRO A 38 -1.189 -12.976 0.583 1.00 0.21 C ATOM 618 O PRO A 38 -0.461 -12.752 1.550 1.00 0.23 O ATOM 619 CB PRO A 38 -3.454 -11.921 0.802 1.00 0.27 C ATOM 620 CG PRO A 38 -4.408 -12.610 -0.111 1.00 0.30 C ATOM 621 CD PRO A 38 -3.967 -12.252 -1.499 1.00 0.26 C ATOM 0 HA PRO A 38 -1.569 -10.964 0.156 1.00 0.21 H new ATOM 0 HB2 PRO A 38 -3.360 -12.454 1.748 1.00 0.27 H new ATOM 0 HB3 PRO A 38 -3.792 -10.912 1.036 1.00 0.27 H new ATOM 0 HG2 PRO A 38 -4.386 -13.689 0.041 1.00 0.30 H new ATOM 0 HG3 PRO A 38 -5.432 -12.283 0.072 1.00 0.30 H new ATOM 0 HD2 PRO A 38 -4.238 -13.022 -2.221 1.00 0.26 H new ATOM 0 HD3 PRO A 38 -4.420 -11.321 -1.841 1.00 0.26 H new ATOM 629 N SER A 39 -1.218 -14.148 -0.042 1.00 0.21 N ATOM 630 CA SER A 39 -0.372 -15.257 0.382 1.00 0.23 C ATOM 631 C SER A 39 1.096 -14.953 0.106 1.00 0.21 C ATOM 632 O SER A 39 1.989 -15.527 0.728 1.00 0.24 O ATOM 633 CB SER A 39 -0.786 -16.544 -0.333 1.00 0.26 C ATOM 634 OG SER A 39 -2.140 -16.866 -0.065 1.00 1.37 O ATOM 0 H SER A 39 -1.817 -14.354 -0.842 1.00 0.21 H new ATOM 0 HA SER A 39 -0.500 -15.393 1.456 1.00 0.23 H new ATOM 0 HB2 SER A 39 -0.643 -16.429 -1.407 1.00 0.26 H new ATOM 0 HB3 SER A 39 -0.144 -17.364 -0.012 1.00 0.26 H new ATOM 0 HG SER A 39 -2.379 -17.692 -0.535 1.00 1.37 H new ATOM 640 N GLN A 40 1.333 -14.046 -0.837 1.00 0.19 N ATOM 641 CA GLN A 40 2.689 -13.656 -1.206 1.00 0.18 C ATOM 642 C GLN A 40 3.170 -12.473 -0.371 1.00 0.16 C ATOM 643 O GLN A 40 4.275 -11.976 -0.571 1.00 0.16 O ATOM 644 CB GLN A 40 2.760 -13.304 -2.693 1.00 0.21 C ATOM 645 CG GLN A 40 2.276 -14.419 -3.606 1.00 0.27 C ATOM 646 CD GLN A 40 3.045 -15.712 -3.412 1.00 0.34 C ATOM 647 OE1 GLN A 40 4.229 -15.700 -3.074 1.00 0.62 O ATOM 648 NE2 GLN A 40 2.372 -16.838 -3.623 1.00 0.69 N ATOM 0 H GLN A 40 0.601 -13.566 -1.361 1.00 0.19 H new ATOM 0 HA GLN A 40 3.343 -14.505 -1.008 1.00 0.18 H new ATOM 0 HB2 GLN A 40 2.162 -12.411 -2.875 1.00 0.21 H new ATOM 0 HB3 GLN A 40 3.790 -13.056 -2.950 1.00 0.21 H new ATOM 0 HG2 GLN A 40 1.217 -14.600 -3.421 1.00 0.27 H new ATOM 0 HG3 GLN A 40 2.368 -14.099 -4.644 1.00 0.27 H new ATOM 0 HE21 GLN A 40 1.392 -16.802 -3.902 1.00 0.69 H new ATOM 0 HE22 GLN A 40 2.836 -17.739 -3.506 1.00 0.69 H new ATOM 657 N SER A 41 2.327 -12.021 0.555 1.00 0.17 N ATOM 658 CA SER A 41 2.657 -10.883 1.415 1.00 0.20 C ATOM 659 C SER A 41 4.080 -10.970 1.956 1.00 0.20 C ATOM 660 O SER A 41 4.730 -9.950 2.175 1.00 0.25 O ATOM 661 CB SER A 41 1.674 -10.796 2.581 1.00 0.23 C ATOM 662 OG SER A 41 1.558 -12.042 3.245 1.00 1.10 O ATOM 0 H SER A 41 1.407 -12.426 0.730 1.00 0.17 H new ATOM 0 HA SER A 41 2.583 -9.985 0.802 1.00 0.20 H new ATOM 0 HB2 SER A 41 2.008 -10.035 3.286 1.00 0.23 H new ATOM 0 HB3 SER A 41 0.696 -10.484 2.214 1.00 0.23 H new ATOM 0 HG SER A 41 0.858 -12.577 2.816 1.00 1.10 H new ATOM 668 N ALA A 42 4.556 -12.190 2.178 1.00 0.18 N ATOM 669 CA ALA A 42 5.904 -12.398 2.693 1.00 0.20 C ATOM 670 C ALA A 42 6.924 -12.413 1.562 1.00 0.17 C ATOM 671 O ALA A 42 8.062 -11.971 1.730 1.00 0.18 O ATOM 672 CB ALA A 42 5.967 -13.691 3.487 1.00 0.24 C ATOM 0 H ALA A 42 4.030 -13.048 2.010 1.00 0.18 H new ATOM 0 HA ALA A 42 6.151 -11.568 3.355 1.00 0.20 H new ATOM 0 HB1 ALA A 42 6.978 -13.836 3.867 1.00 0.24 H new ATOM 0 HB2 ALA A 42 5.270 -13.639 4.323 1.00 0.24 H new ATOM 0 HB3 ALA A 42 5.698 -14.528 2.842 1.00 0.24 H new ATOM 678 N ASN A 43 6.511 -12.926 0.409 1.00 0.16 N ATOM 679 CA ASN A 43 7.384 -12.994 -0.757 1.00 0.16 C ATOM 680 C ASN A 43 7.624 -11.600 -1.328 1.00 0.13 C ATOM 681 O ASN A 43 8.763 -11.151 -1.435 1.00 0.14 O ATOM 682 CB ASN A 43 6.771 -13.900 -1.825 1.00 0.18 C ATOM 683 CG ASN A 43 6.795 -15.363 -1.425 1.00 0.21 C ATOM 684 OD1 ASN A 43 5.756 -15.802 -0.723 1.00 0.59 O flip ATOM 685 ND2 ASN A 43 7.737 -16.090 -1.738 1.00 0.71 N flip ATOM 0 H ASN A 43 5.575 -13.302 0.256 1.00 0.16 H new ATOM 0 HA ASN A 43 8.341 -13.412 -0.446 1.00 0.16 H new ATOM 0 HB2 ASN A 43 5.741 -13.594 -2.010 1.00 0.18 H new ATOM 0 HB3 ASN A 43 7.315 -13.773 -2.761 1.00 0.18 H new ATOM 0 HD21 ASN A 43 8.515 -15.712 -2.278 1.00 0.71 H new ATOM 0 HD22 ASN A 43 7.740 -17.071 -1.457 1.00 0.71 H new ATOM 692 N LEU A 44 6.537 -10.929 -1.698 1.00 0.13 N ATOM 693 CA LEU A 44 6.608 -9.582 -2.249 1.00 0.12 C ATOM 694 C LEU A 44 7.404 -8.663 -1.331 1.00 0.11 C ATOM 695 O LEU A 44 8.178 -7.826 -1.793 1.00 0.12 O ATOM 696 CB LEU A 44 5.197 -9.033 -2.452 1.00 0.12 C ATOM 697 CG LEU A 44 4.279 -9.929 -3.281 1.00 0.16 C ATOM 698 CD1 LEU A 44 2.827 -9.524 -3.098 1.00 0.16 C ATOM 699 CD2 LEU A 44 4.670 -9.875 -4.751 1.00 0.23 C ATOM 0 H LEU A 44 5.590 -11.301 -1.625 1.00 0.13 H new ATOM 0 HA LEU A 44 7.119 -9.625 -3.211 1.00 0.12 H new ATOM 0 HB2 LEU A 44 4.740 -8.872 -1.476 1.00 0.12 H new ATOM 0 HB3 LEU A 44 5.267 -8.059 -2.936 1.00 0.12 H new ATOM 0 HG LEU A 44 4.392 -10.955 -2.932 1.00 0.16 H new ATOM 0 HD11 LEU A 44 2.190 -10.174 -3.697 1.00 0.16 H new ATOM 0 HD12 LEU A 44 2.553 -9.616 -2.047 1.00 0.16 H new ATOM 0 HD13 LEU A 44 2.694 -8.491 -3.419 1.00 0.16 H new ATOM 0 HD21 LEU A 44 4.006 -10.519 -5.328 1.00 0.23 H new ATOM 0 HD22 LEU A 44 4.586 -8.850 -5.112 1.00 0.23 H new ATOM 0 HD23 LEU A 44 5.698 -10.217 -4.867 1.00 0.23 H new ATOM 711 N LEU A 45 7.203 -8.824 -0.026 1.00 0.12 N ATOM 712 CA LEU A 45 7.915 -8.021 0.959 1.00 0.13 C ATOM 713 C LEU A 45 9.415 -8.241 0.814 1.00 0.13 C ATOM 714 O LEU A 45 10.192 -7.291 0.755 1.00 0.15 O ATOM 715 CB LEU A 45 7.475 -8.405 2.375 1.00 0.15 C ATOM 716 CG LEU A 45 7.355 -7.254 3.381 1.00 0.14 C ATOM 717 CD1 LEU A 45 7.310 -7.801 4.800 1.00 0.18 C ATOM 718 CD2 LEU A 45 8.498 -6.262 3.237 1.00 0.14 C ATOM 0 H LEU A 45 6.554 -9.503 0.372 1.00 0.12 H new ATOM 0 HA LEU A 45 7.683 -6.970 0.789 1.00 0.13 H new ATOM 0 HB2 LEU A 45 6.509 -8.905 2.310 1.00 0.15 H new ATOM 0 HB3 LEU A 45 8.185 -9.132 2.769 1.00 0.15 H new ATOM 0 HG LEU A 45 6.427 -6.723 3.170 1.00 0.14 H new ATOM 0 HD11 LEU A 45 7.225 -6.975 5.506 1.00 0.18 H new ATOM 0 HD12 LEU A 45 6.449 -8.461 4.908 1.00 0.18 H new ATOM 0 HD13 LEU A 45 8.224 -8.360 5.004 1.00 0.18 H new ATOM 0 HD21 LEU A 45 8.379 -5.461 3.966 1.00 0.14 H new ATOM 0 HD22 LEU A 45 9.446 -6.772 3.410 1.00 0.14 H new ATOM 0 HD23 LEU A 45 8.490 -5.841 2.231 1.00 0.14 H new ATOM 730 N ALA A 46 9.805 -9.510 0.751 1.00 0.14 N ATOM 731 CA ALA A 46 11.208 -9.880 0.607 1.00 0.15 C ATOM 732 C ALA A 46 11.776 -9.377 -0.716 1.00 0.15 C ATOM 733 O ALA A 46 12.940 -8.986 -0.794 1.00 0.20 O ATOM 734 CB ALA A 46 11.359 -11.389 0.707 1.00 0.16 C ATOM 0 H ALA A 46 9.165 -10.303 0.798 1.00 0.14 H new ATOM 0 HA ALA A 46 11.771 -9.410 1.414 1.00 0.15 H new ATOM 0 HB1 ALA A 46 12.410 -11.657 0.598 1.00 0.16 H new ATOM 0 HB2 ALA A 46 10.996 -11.727 1.678 1.00 0.16 H new ATOM 0 HB3 ALA A 46 10.779 -11.866 -0.083 1.00 0.16 H new ATOM 740 N GLU A 47 10.945 -9.395 -1.751 1.00 0.13 N ATOM 741 CA GLU A 47 11.358 -8.943 -3.074 1.00 0.15 C ATOM 742 C GLU A 47 11.503 -7.428 -3.105 1.00 0.13 C ATOM 743 O GLU A 47 12.295 -6.886 -3.877 1.00 0.17 O ATOM 744 CB GLU A 47 10.348 -9.396 -4.129 1.00 0.18 C ATOM 745 CG GLU A 47 10.364 -10.893 -4.379 1.00 0.28 C ATOM 746 CD GLU A 47 9.415 -11.309 -5.484 1.00 1.24 C ATOM 747 OE1 GLU A 47 8.200 -11.413 -5.214 1.00 2.19 O ATOM 748 OE2 GLU A 47 9.886 -11.530 -6.620 1.00 1.09 O ATOM 0 H GLU A 47 9.979 -9.718 -1.699 1.00 0.13 H new ATOM 0 HA GLU A 47 12.327 -9.387 -3.299 1.00 0.15 H new ATOM 0 HB2 GLU A 47 9.348 -9.099 -3.814 1.00 0.18 H new ATOM 0 HB3 GLU A 47 10.555 -8.877 -5.065 1.00 0.18 H new ATOM 0 HG2 GLU A 47 11.376 -11.204 -4.638 1.00 0.28 H new ATOM 0 HG3 GLU A 47 10.096 -11.414 -3.460 1.00 0.28 H new ATOM 755 N ALA A 48 10.735 -6.751 -2.260 1.00 0.10 N ATOM 756 CA ALA A 48 10.786 -5.297 -2.186 1.00 0.10 C ATOM 757 C ALA A 48 11.987 -4.850 -1.368 1.00 0.11 C ATOM 758 O ALA A 48 12.644 -3.865 -1.698 1.00 0.12 O ATOM 759 CB ALA A 48 9.501 -4.744 -1.593 1.00 0.11 C ATOM 0 H ALA A 48 10.071 -7.185 -1.618 1.00 0.10 H new ATOM 0 HA ALA A 48 10.891 -4.905 -3.198 1.00 0.10 H new ATOM 0 HB1 ALA A 48 9.560 -3.657 -1.547 1.00 0.11 H new ATOM 0 HB2 ALA A 48 8.657 -5.035 -2.218 1.00 0.11 H new ATOM 0 HB3 ALA A 48 9.363 -5.143 -0.588 1.00 0.11 H new ATOM 765 N LYS A 49 12.261 -5.576 -0.289 1.00 0.12 N ATOM 766 CA LYS A 49 13.399 -5.276 0.565 1.00 0.14 C ATOM 767 C LYS A 49 14.692 -5.521 -0.199 1.00 0.14 C ATOM 768 O LYS A 49 15.666 -4.780 -0.059 1.00 0.17 O ATOM 769 CB LYS A 49 13.355 -6.146 1.820 1.00 0.14 C ATOM 770 CG LYS A 49 12.151 -5.870 2.705 1.00 0.14 C ATOM 771 CD LYS A 49 12.142 -6.764 3.934 1.00 0.16 C ATOM 772 CE LYS A 49 11.670 -8.168 3.596 1.00 0.16 C ATOM 773 NZ LYS A 49 11.551 -9.023 4.810 1.00 0.21 N ATOM 0 H LYS A 49 11.708 -6.378 0.013 1.00 0.12 H new ATOM 0 HA LYS A 49 13.356 -4.229 0.864 1.00 0.14 H new ATOM 0 HB2 LYS A 49 13.347 -7.195 1.525 1.00 0.14 H new ATOM 0 HB3 LYS A 49 14.265 -5.984 2.397 1.00 0.14 H new ATOM 0 HG2 LYS A 49 12.159 -4.825 3.015 1.00 0.14 H new ATOM 0 HG3 LYS A 49 11.236 -6.026 2.134 1.00 0.14 H new ATOM 0 HD2 LYS A 49 13.144 -6.808 4.361 1.00 0.16 H new ATOM 0 HD3 LYS A 49 11.491 -6.333 4.694 1.00 0.16 H new ATOM 0 HE2 LYS A 49 10.704 -8.115 3.094 1.00 0.16 H new ATOM 0 HE3 LYS A 49 12.368 -8.627 2.896 1.00 0.16 H new ATOM 0 HZ1 LYS A 49 11.226 -9.972 4.536 1.00 0.21 H new ATOM 0 HZ2 LYS A 49 12.478 -9.095 5.276 1.00 0.21 H new ATOM 0 HZ3 LYS A 49 10.865 -8.599 5.467 1.00 0.21 H new ATOM 787 N LYS A 50 14.683 -6.573 -1.010 1.00 0.13 N ATOM 788 CA LYS A 50 15.835 -6.933 -1.824 1.00 0.16 C ATOM 789 C LYS A 50 16.040 -5.903 -2.929 1.00 0.16 C ATOM 790 O LYS A 50 17.169 -5.571 -3.289 1.00 0.22 O ATOM 791 CB LYS A 50 15.626 -8.319 -2.437 1.00 0.17 C ATOM 792 CG LYS A 50 16.705 -8.720 -3.430 1.00 0.52 C ATOM 793 CD LYS A 50 16.442 -10.099 -4.012 1.00 0.51 C ATOM 794 CE LYS A 50 17.488 -10.476 -5.050 1.00 1.36 C ATOM 795 NZ LYS A 50 17.490 -9.535 -6.204 1.00 2.10 N ATOM 0 H LYS A 50 13.883 -7.195 -1.121 1.00 0.13 H new ATOM 0 HA LYS A 50 16.722 -6.952 -1.191 1.00 0.16 H new ATOM 0 HB2 LYS A 50 15.589 -9.058 -1.637 1.00 0.17 H new ATOM 0 HB3 LYS A 50 14.658 -8.342 -2.937 1.00 0.17 H new ATOM 0 HG2 LYS A 50 16.750 -7.987 -4.235 1.00 0.52 H new ATOM 0 HG3 LYS A 50 17.677 -8.712 -2.936 1.00 0.52 H new ATOM 0 HD2 LYS A 50 16.440 -10.838 -3.211 1.00 0.51 H new ATOM 0 HD3 LYS A 50 15.452 -10.120 -4.468 1.00 0.51 H new ATOM 0 HE2 LYS A 50 18.474 -10.483 -4.586 1.00 1.36 H new ATOM 0 HE3 LYS A 50 17.297 -11.488 -5.407 1.00 1.36 H new ATOM 0 HZ1 LYS A 50 18.021 -9.955 -6.993 1.00 2.10 H new ATOM 0 HZ2 LYS A 50 16.511 -9.352 -6.504 1.00 2.10 H new ATOM 0 HZ3 LYS A 50 17.939 -8.640 -5.922 1.00 2.10 H new ATOM 809 N LEU A 51 14.929 -5.403 -3.457 1.00 0.14 N ATOM 810 CA LEU A 51 14.959 -4.410 -4.523 1.00 0.15 C ATOM 811 C LEU A 51 15.370 -3.048 -3.982 1.00 0.15 C ATOM 812 O LEU A 51 16.103 -2.303 -4.632 1.00 0.18 O ATOM 813 CB LEU A 51 13.583 -4.318 -5.179 1.00 0.15 C ATOM 814 CG LEU A 51 13.498 -3.415 -6.413 1.00 0.18 C ATOM 815 CD1 LEU A 51 14.586 -3.767 -7.421 1.00 0.23 C ATOM 816 CD2 LEU A 51 12.121 -3.536 -7.047 1.00 0.18 C ATOM 0 H LEU A 51 13.990 -5.672 -3.161 1.00 0.14 H new ATOM 0 HA LEU A 51 15.695 -4.719 -5.265 1.00 0.15 H new ATOM 0 HB2 LEU A 51 13.268 -5.322 -5.463 1.00 0.15 H new ATOM 0 HB3 LEU A 51 12.870 -3.958 -4.437 1.00 0.15 H new ATOM 0 HG LEU A 51 13.654 -2.382 -6.101 1.00 0.18 H new ATOM 0 HD11 LEU A 51 14.504 -3.112 -8.288 1.00 0.23 H new ATOM 0 HD12 LEU A 51 15.565 -3.638 -6.960 1.00 0.23 H new ATOM 0 HD13 LEU A 51 14.468 -4.803 -7.737 1.00 0.23 H new ATOM 0 HD21 LEU A 51 12.066 -2.891 -7.924 1.00 0.18 H new ATOM 0 HD22 LEU A 51 11.947 -4.570 -7.345 1.00 0.18 H new ATOM 0 HD23 LEU A 51 11.361 -3.233 -6.327 1.00 0.18 H new ATOM 828 N ASN A 52 14.887 -2.731 -2.789 1.00 0.15 N ATOM 829 CA ASN A 52 15.204 -1.466 -2.146 1.00 0.18 C ATOM 830 C ASN A 52 16.687 -1.415 -1.816 1.00 0.17 C ATOM 831 O ASN A 52 17.299 -0.348 -1.790 1.00 0.17 O ATOM 832 CB ASN A 52 14.374 -1.294 -0.871 1.00 0.26 C ATOM 833 CG ASN A 52 14.654 0.020 -0.168 1.00 0.36 C ATOM 834 OD1 ASN A 52 14.010 1.031 -0.439 1.00 0.79 O ATOM 835 ND2 ASN A 52 15.616 0.011 0.745 1.00 0.21 N ATOM 0 H ASN A 52 14.271 -3.336 -2.246 1.00 0.15 H new ATOM 0 HA ASN A 52 14.962 -0.652 -2.829 1.00 0.18 H new ATOM 0 HB2 ASN A 52 13.315 -1.350 -1.121 1.00 0.26 H new ATOM 0 HB3 ASN A 52 14.585 -2.119 -0.190 1.00 0.26 H new ATOM 0 HD21 ASN A 52 15.845 0.865 1.253 1.00 0.21 H new ATOM 0 HD22 ASN A 52 16.126 -0.850 0.940 1.00 0.21 H new ATOM 842 N ASP A 53 17.259 -2.589 -1.566 1.00 0.18 N ATOM 843 CA ASP A 53 18.673 -2.695 -1.243 1.00 0.20 C ATOM 844 C ASP A 53 19.508 -2.703 -2.518 1.00 0.22 C ATOM 845 O ASP A 53 20.706 -2.418 -2.493 1.00 0.25 O ATOM 846 CB ASP A 53 18.942 -3.964 -0.431 1.00 0.23 C ATOM 847 CG ASP A 53 20.396 -4.089 -0.019 1.00 0.28 C ATOM 848 OD1 ASP A 53 20.758 -3.556 1.050 1.00 0.34 O ATOM 849 OD2 ASP A 53 21.173 -4.717 -0.769 1.00 0.34 O ATOM 0 H ASP A 53 16.762 -3.480 -1.582 1.00 0.18 H new ATOM 0 HA ASP A 53 18.955 -1.830 -0.643 1.00 0.20 H new ATOM 0 HB2 ASP A 53 18.314 -3.962 0.460 1.00 0.23 H new ATOM 0 HB3 ASP A 53 18.658 -4.836 -1.020 1.00 0.23 H new ATOM 854 N ALA A 54 18.863 -3.029 -3.634 1.00 0.22 N ATOM 855 CA ALA A 54 19.536 -3.074 -4.925 1.00 0.26 C ATOM 856 C ALA A 54 19.794 -1.668 -5.452 1.00 0.28 C ATOM 857 O ALA A 54 20.761 -1.433 -6.177 1.00 0.32 O ATOM 858 CB ALA A 54 18.708 -3.869 -5.924 1.00 0.27 C ATOM 0 H ALA A 54 17.872 -3.266 -3.669 1.00 0.22 H new ATOM 0 HA ALA A 54 20.498 -3.570 -4.792 1.00 0.26 H new ATOM 0 HB1 ALA A 54 19.223 -3.895 -6.884 1.00 0.27 H new ATOM 0 HB2 ALA A 54 18.574 -4.887 -5.557 1.00 0.27 H new ATOM 0 HB3 ALA A 54 17.734 -3.396 -6.047 1.00 0.27 H new ATOM 864 N GLN A 55 18.922 -0.738 -5.080 1.00 0.27 N ATOM 865 CA GLN A 55 19.046 0.649 -5.513 1.00 0.31 C ATOM 866 C GLN A 55 19.639 1.512 -4.404 1.00 0.33 C ATOM 867 O GLN A 55 19.753 2.730 -4.543 1.00 0.41 O ATOM 868 CB GLN A 55 17.678 1.194 -5.924 1.00 0.32 C ATOM 869 CG GLN A 55 16.924 0.278 -6.876 1.00 0.32 C ATOM 870 CD GLN A 55 15.576 0.840 -7.287 1.00 0.36 C ATOM 871 OE1 GLN A 55 15.122 0.630 -8.413 1.00 0.61 O ATOM 872 NE2 GLN A 55 14.923 1.550 -6.374 1.00 0.29 N ATOM 0 H GLN A 55 18.119 -0.920 -4.478 1.00 0.27 H new ATOM 0 HA GLN A 55 19.717 0.682 -6.371 1.00 0.31 H new ATOM 0 HB2 GLN A 55 17.075 1.353 -5.030 1.00 0.32 H new ATOM 0 HB3 GLN A 55 17.810 2.167 -6.396 1.00 0.32 H new ATOM 0 HG2 GLN A 55 17.529 0.109 -7.767 1.00 0.32 H new ATOM 0 HG3 GLN A 55 16.779 -0.692 -6.401 1.00 0.32 H new ATOM 0 HE21 GLN A 55 15.336 1.700 -5.453 1.00 0.29 H new ATOM 0 HE22 GLN A 55 14.009 1.945 -6.594 1.00 0.29 H new ATOM 881 N ALA A 56 20.017 0.869 -3.303 1.00 0.28 N ATOM 882 CA ALA A 56 20.594 1.571 -2.165 1.00 0.31 C ATOM 883 C ALA A 56 21.922 2.232 -2.537 1.00 0.39 C ATOM 884 O ALA A 56 22.690 1.690 -3.331 1.00 0.44 O ATOM 885 CB ALA A 56 20.787 0.612 -1.000 1.00 0.29 C ATOM 0 H ALA A 56 19.933 -0.140 -3.176 1.00 0.28 H new ATOM 0 HA ALA A 56 19.901 2.358 -1.866 1.00 0.31 H new ATOM 0 HB1 ALA A 56 21.219 1.148 -0.155 1.00 0.29 H new ATOM 0 HB2 ALA A 56 19.823 0.193 -0.710 1.00 0.29 H new ATOM 0 HB3 ALA A 56 21.457 -0.194 -1.299 1.00 0.29 H new ATOM 891 N PRO A 57 22.209 3.417 -1.962 1.00 0.45 N ATOM 892 CA PRO A 57 23.449 4.152 -2.237 1.00 0.54 C ATOM 893 C PRO A 57 24.681 3.433 -1.694 1.00 0.63 C ATOM 894 O PRO A 57 24.640 2.234 -1.419 1.00 0.83 O ATOM 895 CB PRO A 57 23.256 5.493 -1.516 1.00 0.68 C ATOM 896 CG PRO A 57 21.807 5.556 -1.159 1.00 0.61 C ATOM 897 CD PRO A 57 21.353 4.134 -1.006 1.00 0.47 C ATOM 0 HA PRO A 57 23.622 4.256 -3.308 1.00 0.54 H new ATOM 0 HB2 PRO A 57 23.881 5.552 -0.625 1.00 0.68 H new ATOM 0 HB3 PRO A 57 23.537 6.327 -2.159 1.00 0.68 H new ATOM 0 HG2 PRO A 57 21.657 6.114 -0.235 1.00 0.61 H new ATOM 0 HG3 PRO A 57 21.236 6.066 -1.935 1.00 0.61 H new ATOM 0 HD2 PRO A 57 21.492 3.772 0.013 1.00 0.47 H new ATOM 0 HD3 PRO A 57 20.296 4.019 -1.244 1.00 0.47 H new ATOM 905 N LYS A 58 25.778 4.174 -1.549 1.00 0.75 N ATOM 906 CA LYS A 58 27.025 3.608 -1.043 1.00 0.91 C ATOM 907 C LYS A 58 26.823 2.963 0.328 1.00 1.37 C ATOM 908 O LYS A 58 26.594 1.736 0.372 1.00 1.85 O ATOM 909 CB LYS A 58 28.113 4.686 -0.970 1.00 1.12 C ATOM 910 CG LYS A 58 27.671 5.966 -0.275 1.00 2.01 C ATOM 911 CD LYS A 58 28.801 6.982 -0.200 1.00 2.90 C ATOM 912 CE LYS A 58 29.187 7.494 -1.579 1.00 3.59 C ATOM 913 NZ LYS A 58 30.283 8.500 -1.510 1.00 4.27 N ATOM 914 OXT LYS A 58 26.895 3.686 1.344 1.00 2.03 O ATOM 0 H LYS A 58 25.828 5.167 -1.775 1.00 0.75 H new ATOM 0 HA LYS A 58 27.346 2.832 -1.737 1.00 0.91 H new ATOM 0 HB2 LYS A 58 28.978 4.280 -0.445 1.00 1.12 H new ATOM 0 HB3 LYS A 58 28.439 4.928 -1.982 1.00 1.12 H new ATOM 0 HG2 LYS A 58 26.827 6.399 -0.812 1.00 2.01 H new ATOM 0 HG3 LYS A 58 27.323 5.733 0.731 1.00 2.01 H new ATOM 0 HD2 LYS A 58 28.497 7.820 0.428 1.00 2.90 H new ATOM 0 HD3 LYS A 58 29.669 6.526 0.276 1.00 2.90 H new ATOM 0 HE2 LYS A 58 29.501 6.657 -2.202 1.00 3.59 H new ATOM 0 HE3 LYS A 58 28.315 7.939 -2.058 1.00 3.59 H new ATOM 0 HZ1 LYS A 58 30.517 8.825 -2.470 1.00 4.27 H new ATOM 0 HZ2 LYS A 58 29.975 9.311 -0.936 1.00 4.27 H new ATOM 0 HZ3 LYS A 58 31.124 8.068 -1.076 1.00 4.27 H new TER 928 LYS A 58 ATOM 929 N VAL B 101 10.307 8.620 1.611 1.00 3.48 N ATOM 930 CA VAL B 101 11.170 9.133 2.704 1.00 2.61 C ATOM 931 C VAL B 101 10.346 9.448 3.949 1.00 2.18 C ATOM 932 O VAL B 101 9.164 9.781 3.848 1.00 2.41 O ATOM 933 CB VAL B 101 11.931 10.402 2.267 1.00 2.67 C ATOM 934 CG1 VAL B 101 12.944 10.817 3.324 1.00 2.50 C ATOM 935 CG2 VAL B 101 12.615 10.179 0.928 1.00 3.29 C ATOM 0 HA VAL B 101 11.891 8.349 2.938 1.00 2.61 H new ATOM 0 HB VAL B 101 11.209 11.210 2.154 1.00 2.67 H new ATOM 0 HG11 VAL B 101 13.468 11.714 2.993 1.00 2.50 H new ATOM 0 HG12 VAL B 101 12.428 11.023 4.262 1.00 2.50 H new ATOM 0 HG13 VAL B 101 13.663 10.012 3.475 1.00 2.50 H new ATOM 0 HG21 VAL B 101 13.147 11.085 0.636 1.00 3.29 H new ATOM 0 HG22 VAL B 101 13.323 9.354 1.014 1.00 3.29 H new ATOM 0 HG23 VAL B 101 11.867 9.938 0.173 1.00 3.29 H new ATOM 947 N ASP B 102 10.968 9.335 5.118 1.00 1.82 N ATOM 948 CA ASP B 102 10.283 9.606 6.380 1.00 1.99 C ATOM 949 C ASP B 102 9.613 10.978 6.359 1.00 1.57 C ATOM 950 O ASP B 102 8.437 11.110 6.706 1.00 1.98 O ATOM 951 CB ASP B 102 11.271 9.527 7.546 1.00 2.35 C ATOM 952 CG ASP B 102 10.594 9.709 8.891 1.00 3.09 C ATOM 953 OD1 ASP B 102 10.381 10.872 9.295 1.00 3.65 O ATOM 954 OD2 ASP B 102 10.276 8.689 9.539 1.00 3.25 O ATOM 0 H ASP B 102 11.944 9.058 5.219 1.00 1.82 H new ATOM 0 HA ASP B 102 9.510 8.849 6.512 1.00 1.99 H new ATOM 0 HB2 ASP B 102 11.777 8.562 7.525 1.00 2.35 H new ATOM 0 HB3 ASP B 102 12.037 10.292 7.422 1.00 2.35 H new ATOM 959 N ASN B 103 10.367 11.994 5.949 1.00 1.11 N ATOM 960 CA ASN B 103 9.851 13.358 5.884 1.00 1.29 C ATOM 961 C ASN B 103 8.575 13.428 5.049 1.00 1.11 C ATOM 962 O ASN B 103 7.568 13.982 5.489 1.00 1.40 O ATOM 963 CB ASN B 103 10.909 14.296 5.297 1.00 1.77 C ATOM 964 CG ASN B 103 12.153 14.372 6.159 1.00 2.19 C ATOM 965 OD1 ASN B 103 12.257 15.220 7.045 1.00 2.84 O ATOM 966 ND2 ASN B 103 13.107 13.485 5.903 1.00 2.04 N ATOM 0 H ASN B 103 11.339 11.898 5.656 1.00 1.11 H new ATOM 0 HA ASN B 103 9.612 13.674 6.899 1.00 1.29 H new ATOM 0 HB2 ASN B 103 11.182 13.953 4.299 1.00 1.77 H new ATOM 0 HB3 ASN B 103 10.485 15.294 5.186 1.00 1.77 H new ATOM 0 HD21 ASN B 103 13.968 13.489 6.450 1.00 2.04 H new ATOM 0 HD22 ASN B 103 12.979 12.799 5.159 1.00 2.04 H new ATOM 973 N LYS B 104 8.629 12.866 3.845 1.00 0.91 N ATOM 974 CA LYS B 104 7.479 12.864 2.947 1.00 0.83 C ATOM 975 C LYS B 104 6.234 12.317 3.638 1.00 0.58 C ATOM 976 O LYS B 104 5.272 13.050 3.874 1.00 0.72 O ATOM 977 CB LYS B 104 7.788 12.037 1.702 1.00 0.98 C ATOM 978 CG LYS B 104 8.960 12.581 0.909 1.00 1.29 C ATOM 979 CD LYS B 104 9.284 11.707 -0.293 1.00 1.55 C ATOM 980 CE LYS B 104 8.174 11.752 -1.332 1.00 1.61 C ATOM 981 NZ LYS B 104 8.456 10.854 -2.486 1.00 2.12 N ATOM 0 H LYS B 104 9.458 12.406 3.469 1.00 0.91 H new ATOM 0 HA LYS B 104 7.279 13.895 2.657 1.00 0.83 H new ATOM 0 HB2 LYS B 104 8.001 11.010 1.998 1.00 0.98 H new ATOM 0 HB3 LYS B 104 6.905 12.008 1.063 1.00 0.98 H new ATOM 0 HG2 LYS B 104 8.733 13.592 0.572 1.00 1.29 H new ATOM 0 HG3 LYS B 104 9.835 12.649 1.555 1.00 1.29 H new ATOM 0 HD2 LYS B 104 10.219 12.039 -0.744 1.00 1.55 H new ATOM 0 HD3 LYS B 104 9.436 10.678 0.034 1.00 1.55 H new ATOM 0 HE2 LYS B 104 7.231 11.462 -0.868 1.00 1.61 H new ATOM 0 HE3 LYS B 104 8.052 12.775 -1.689 1.00 1.61 H new ATOM 0 HZ1 LYS B 104 7.676 10.914 -3.171 1.00 2.12 H new ATOM 0 HZ2 LYS B 104 9.343 11.146 -2.945 1.00 2.12 H new ATOM 0 HZ3 LYS B 104 8.547 9.874 -2.149 1.00 2.12 H new ATOM 995 N PHE B 105 6.258 11.027 3.961 1.00 0.46 N ATOM 996 CA PHE B 105 5.128 10.384 4.623 1.00 0.37 C ATOM 997 C PHE B 105 5.568 9.684 5.908 1.00 0.57 C ATOM 998 O PHE B 105 6.372 8.752 5.878 1.00 1.14 O ATOM 999 CB PHE B 105 4.456 9.382 3.674 1.00 0.49 C ATOM 1000 CG PHE B 105 5.404 8.385 3.067 1.00 0.71 C ATOM 1001 CD1 PHE B 105 6.221 8.742 2.005 1.00 0.86 C ATOM 1002 CD2 PHE B 105 5.481 7.091 3.559 1.00 0.98 C ATOM 1003 CE1 PHE B 105 7.094 7.828 1.446 1.00 1.10 C ATOM 1004 CE2 PHE B 105 6.351 6.174 3.004 1.00 1.19 C ATOM 1005 CZ PHE B 105 7.154 6.540 1.942 1.00 1.19 C ATOM 0 H PHE B 105 7.047 10.407 3.775 1.00 0.46 H new ATOM 0 HA PHE B 105 4.407 11.157 4.890 1.00 0.37 H new ATOM 0 HB2 PHE B 105 3.680 8.845 4.219 1.00 0.49 H new ATOM 0 HB3 PHE B 105 3.961 9.931 2.873 1.00 0.49 H new ATOM 0 HD1 PHE B 105 6.175 9.746 1.610 1.00 0.86 H new ATOM 0 HD2 PHE B 105 4.853 6.797 4.387 1.00 0.98 H new ATOM 0 HE1 PHE B 105 7.729 8.120 0.622 1.00 1.10 H new ATOM 0 HE2 PHE B 105 6.404 5.171 3.400 1.00 1.19 H new ATOM 0 HZ PHE B 105 7.828 5.821 1.500 1.00 1.19 H new ATOM 1015 N ASN B 106 5.040 10.149 7.037 1.00 0.51 N ATOM 1016 CA ASN B 106 5.366 9.579 8.329 1.00 0.67 C ATOM 1017 C ASN B 106 4.336 8.520 8.732 1.00 0.67 C ATOM 1018 O ASN B 106 4.226 7.480 8.085 1.00 0.82 O ATOM 1019 CB ASN B 106 5.426 10.699 9.366 1.00 0.81 C ATOM 1020 CG ASN B 106 4.280 11.679 9.232 1.00 0.84 C ATOM 1021 OD1 ASN B 106 3.231 11.518 9.857 1.00 1.17 O ATOM 1022 ND2 ASN B 106 4.471 12.703 8.415 1.00 0.78 N ATOM 0 H ASN B 106 4.380 10.926 7.076 1.00 0.51 H new ATOM 0 HA ASN B 106 6.337 9.087 8.272 1.00 0.67 H new ATOM 0 HB2 ASN B 106 5.413 10.265 10.366 1.00 0.81 H new ATOM 0 HB3 ASN B 106 6.370 11.234 9.263 1.00 0.81 H new ATOM 0 HD21 ASN B 106 3.734 13.396 8.285 1.00 0.78 H new ATOM 0 HD22 ASN B 106 5.355 12.799 7.916 1.00 0.78 H new ATOM 1029 N LYS B 107 3.589 8.787 9.801 1.00 0.62 N ATOM 1030 CA LYS B 107 2.567 7.861 10.274 1.00 0.63 C ATOM 1031 C LYS B 107 1.206 8.249 9.727 1.00 0.54 C ATOM 1032 O LYS B 107 0.539 7.455 9.068 1.00 0.45 O ATOM 1033 CB LYS B 107 2.520 7.860 11.801 1.00 0.79 C ATOM 1034 CG LYS B 107 1.356 7.066 12.376 1.00 0.80 C ATOM 1035 CD LYS B 107 1.362 7.096 13.895 1.00 1.00 C ATOM 1036 CE LYS B 107 1.041 8.482 14.432 1.00 1.07 C ATOM 1037 NZ LYS B 107 1.014 8.506 15.919 1.00 1.78 N ATOM 0 H LYS B 107 3.674 9.639 10.356 1.00 0.62 H new ATOM 0 HA LYS B 107 2.822 6.862 9.921 1.00 0.63 H new ATOM 0 HB2 LYS B 107 3.454 7.448 12.184 1.00 0.79 H new ATOM 0 HB3 LYS B 107 2.456 8.889 12.155 1.00 0.79 H new ATOM 0 HG2 LYS B 107 0.416 7.476 12.006 1.00 0.80 H new ATOM 0 HG3 LYS B 107 1.412 6.034 12.031 1.00 0.80 H new ATOM 0 HD2 LYS B 107 0.633 6.381 14.276 1.00 1.00 H new ATOM 0 HD3 LYS B 107 2.339 6.781 14.261 1.00 1.00 H new ATOM 0 HE2 LYS B 107 1.784 9.193 14.071 1.00 1.07 H new ATOM 0 HE3 LYS B 107 0.075 8.807 14.046 1.00 1.07 H new ATOM 0 HZ1 LYS B 107 0.792 9.468 16.247 1.00 1.78 H new ATOM 0 HZ2 LYS B 107 0.288 7.846 16.264 1.00 1.78 H new ATOM 0 HZ3 LYS B 107 1.944 8.221 16.288 1.00 1.78 H new ATOM 1051 N GLU B 108 0.807 9.481 10.025 1.00 0.61 N ATOM 1052 CA GLU B 108 -0.475 10.025 9.580 1.00 0.62 C ATOM 1053 C GLU B 108 -0.811 9.585 8.156 1.00 0.49 C ATOM 1054 O GLU B 108 -1.966 9.297 7.842 1.00 0.53 O ATOM 1055 CB GLU B 108 -0.444 11.552 9.656 1.00 0.74 C ATOM 1056 CG GLU B 108 -0.363 12.085 11.074 1.00 0.87 C ATOM 1057 CD GLU B 108 -0.303 13.599 11.126 1.00 1.09 C ATOM 1058 OE1 GLU B 108 -1.378 14.234 11.160 1.00 1.16 O ATOM 1059 OE2 GLU B 108 0.818 14.150 11.136 1.00 1.37 O ATOM 0 H GLU B 108 1.361 10.132 10.581 1.00 0.61 H new ATOM 0 HA GLU B 108 -1.250 9.638 10.241 1.00 0.62 H new ATOM 0 HB2 GLU B 108 0.411 11.919 9.089 1.00 0.74 H new ATOM 0 HB3 GLU B 108 -1.339 11.950 9.177 1.00 0.74 H new ATOM 0 HG2 GLU B 108 -1.230 11.740 11.638 1.00 0.87 H new ATOM 0 HG3 GLU B 108 0.520 11.673 11.563 1.00 0.87 H new ATOM 1066 N THR B 109 0.203 9.537 7.300 1.00 0.39 N ATOM 1067 CA THR B 109 0.015 9.134 5.912 1.00 0.28 C ATOM 1068 C THR B 109 -0.193 7.627 5.799 1.00 0.25 C ATOM 1069 O THR B 109 -1.068 7.164 5.068 1.00 0.27 O ATOM 1070 CB THR B 109 1.219 9.543 5.043 1.00 0.25 C ATOM 1071 OG1 THR B 109 1.418 10.960 5.119 1.00 0.33 O ATOM 1072 CG2 THR B 109 1.007 9.134 3.594 1.00 0.27 C ATOM 0 H THR B 109 1.165 9.773 7.543 1.00 0.39 H new ATOM 0 HA THR B 109 -0.876 9.647 5.551 1.00 0.28 H new ATOM 0 HB THR B 109 2.103 9.030 5.422 1.00 0.25 H new ATOM 0 HG1 THR B 109 2.186 11.213 4.565 1.00 0.33 H new ATOM 0 HG21 THR B 109 1.871 9.434 3.001 1.00 0.27 H new ATOM 0 HG22 THR B 109 0.885 8.052 3.535 1.00 0.27 H new ATOM 0 HG23 THR B 109 0.113 9.622 3.205 1.00 0.27 H new ATOM 1080 N GLN B 110 0.621 6.867 6.525 1.00 0.30 N ATOM 1081 CA GLN B 110 0.530 5.410 6.505 1.00 0.32 C ATOM 1082 C GLN B 110 -0.841 4.931 6.974 1.00 0.30 C ATOM 1083 O GLN B 110 -1.306 3.865 6.566 1.00 0.30 O ATOM 1084 CB GLN B 110 1.623 4.797 7.378 1.00 0.42 C ATOM 1085 CG GLN B 110 3.022 4.971 6.807 1.00 0.48 C ATOM 1086 CD GLN B 110 4.107 4.385 7.695 1.00 0.85 C ATOM 1087 OE1 GLN B 110 5.223 4.902 7.750 1.00 1.34 O ATOM 1088 NE2 GLN B 110 3.792 3.295 8.388 1.00 1.38 N ATOM 0 H GLN B 110 1.351 7.235 7.135 1.00 0.30 H new ATOM 0 HA GLN B 110 0.669 5.084 5.474 1.00 0.32 H new ATOM 0 HB2 GLN B 110 1.584 5.251 8.368 1.00 0.42 H new ATOM 0 HB3 GLN B 110 1.421 3.734 7.507 1.00 0.42 H new ATOM 0 HG2 GLN B 110 3.069 4.498 5.826 1.00 0.48 H new ATOM 0 HG3 GLN B 110 3.217 6.033 6.658 1.00 0.48 H new ATOM 0 HE21 GLN B 110 2.856 2.897 8.315 1.00 1.38 H new ATOM 0 HE22 GLN B 110 4.487 2.857 8.993 1.00 1.38 H new ATOM 1097 N GLU B 111 -1.484 5.716 7.833 1.00 0.30 N ATOM 1098 CA GLU B 111 -2.802 5.363 8.347 1.00 0.30 C ATOM 1099 C GLU B 111 -3.819 5.377 7.218 1.00 0.28 C ATOM 1100 O GLU B 111 -4.645 4.473 7.095 1.00 0.39 O ATOM 1101 CB GLU B 111 -3.213 6.339 9.448 1.00 0.34 C ATOM 1102 CG GLU B 111 -2.127 6.551 10.488 1.00 0.38 C ATOM 1103 CD GLU B 111 -1.895 5.324 11.348 1.00 1.19 C ATOM 1104 OE1 GLU B 111 -2.653 5.129 12.320 1.00 1.04 O ATOM 1105 OE2 GLU B 111 -0.954 4.559 11.049 1.00 2.25 O ATOM 0 H GLU B 111 -1.115 6.598 8.187 1.00 0.30 H new ATOM 0 HA GLU B 111 -2.763 4.359 8.770 1.00 0.30 H new ATOM 0 HB2 GLU B 111 -3.470 7.298 8.998 1.00 0.34 H new ATOM 0 HB3 GLU B 111 -4.112 5.966 9.940 1.00 0.34 H new ATOM 0 HG2 GLU B 111 -1.197 6.820 9.987 1.00 0.38 H new ATOM 0 HG3 GLU B 111 -2.400 7.391 11.126 1.00 0.38 H new ATOM 1112 N ALA B 112 -3.749 6.416 6.396 1.00 0.20 N ATOM 1113 CA ALA B 112 -4.644 6.552 5.256 1.00 0.17 C ATOM 1114 C ALA B 112 -4.309 5.510 4.197 1.00 0.13 C ATOM 1115 O ALA B 112 -5.169 5.097 3.419 1.00 0.13 O ATOM 1116 CB ALA B 112 -4.543 7.953 4.677 1.00 0.17 C ATOM 0 H ALA B 112 -3.079 7.179 6.499 1.00 0.20 H new ATOM 0 HA ALA B 112 -5.669 6.388 5.589 1.00 0.17 H new ATOM 0 HB1 ALA B 112 -5.216 8.044 3.825 1.00 0.17 H new ATOM 0 HB2 ALA B 112 -4.820 8.682 5.438 1.00 0.17 H new ATOM 0 HB3 ALA B 112 -3.519 8.139 4.352 1.00 0.17 H new ATOM 1122 N SER B 113 -3.047 5.089 4.179 1.00 0.13 N ATOM 1123 CA SER B 113 -2.582 4.087 3.230 1.00 0.11 C ATOM 1124 C SER B 113 -3.197 2.728 3.545 1.00 0.10 C ATOM 1125 O SER B 113 -3.652 2.018 2.650 1.00 0.12 O ATOM 1126 CB SER B 113 -1.055 3.990 3.271 1.00 0.15 C ATOM 1127 OG SER B 113 -0.455 5.240 2.979 1.00 0.92 O ATOM 0 H SER B 113 -2.326 5.430 4.815 1.00 0.13 H new ATOM 0 HA SER B 113 -2.893 4.388 2.230 1.00 0.11 H new ATOM 0 HB2 SER B 113 -0.736 3.652 4.257 1.00 0.15 H new ATOM 0 HB3 SER B 113 -0.716 3.244 2.552 1.00 0.15 H new ATOM 0 HG SER B 113 -0.644 5.871 3.705 1.00 0.92 H new ATOM 1133 N TRP B 114 -3.211 2.376 4.828 1.00 0.10 N ATOM 1134 CA TRP B 114 -3.771 1.103 5.261 1.00 0.10 C ATOM 1135 C TRP B 114 -5.263 1.036 4.957 1.00 0.12 C ATOM 1136 O TRP B 114 -5.749 0.037 4.430 1.00 0.16 O ATOM 1137 CB TRP B 114 -3.526 0.893 6.758 1.00 0.13 C ATOM 1138 CG TRP B 114 -4.021 -0.429 7.263 1.00 0.14 C ATOM 1139 CD1 TRP B 114 -4.914 -0.639 8.274 1.00 0.17 C ATOM 1140 CD2 TRP B 114 -3.652 -1.725 6.779 1.00 0.16 C ATOM 1141 NE1 TRP B 114 -5.120 -1.985 8.450 1.00 0.19 N ATOM 1142 CE2 TRP B 114 -4.356 -2.673 7.545 1.00 0.19 C ATOM 1143 CE3 TRP B 114 -2.793 -2.177 5.775 1.00 0.17 C ATOM 1144 CZ2 TRP B 114 -4.230 -4.042 7.335 1.00 0.22 C ATOM 1145 CZ3 TRP B 114 -2.668 -3.537 5.568 1.00 0.21 C ATOM 1146 CH2 TRP B 114 -3.384 -4.455 6.345 1.00 0.23 C ATOM 0 H TRP B 114 -2.841 2.954 5.583 1.00 0.10 H new ATOM 0 HA TRP B 114 -3.272 0.307 4.709 1.00 0.10 H new ATOM 0 HB2 TRP B 114 -2.458 0.973 6.958 1.00 0.13 H new ATOM 0 HB3 TRP B 114 -4.015 1.692 7.314 1.00 0.13 H new ATOM 0 HD1 TRP B 114 -5.389 0.140 8.851 1.00 0.17 H new ATOM 0 HE1 TRP B 114 -5.741 -2.404 9.142 1.00 0.19 H new ATOM 0 HE3 TRP B 114 -2.236 -1.476 5.171 1.00 0.17 H new ATOM 0 HZ2 TRP B 114 -4.781 -4.753 7.933 1.00 0.22 H new ATOM 0 HZ3 TRP B 114 -2.007 -3.898 4.794 1.00 0.21 H new ATOM 0 HH2 TRP B 114 -3.265 -5.512 6.158 1.00 0.23 H new ATOM 1157 N GLU B 115 -5.985 2.105 5.288 1.00 0.14 N ATOM 1158 CA GLU B 115 -7.424 2.160 5.045 1.00 0.18 C ATOM 1159 C GLU B 115 -7.742 1.891 3.575 1.00 0.19 C ATOM 1160 O GLU B 115 -8.752 1.268 3.253 1.00 0.33 O ATOM 1161 CB GLU B 115 -7.988 3.522 5.457 1.00 0.22 C ATOM 1162 CG GLU B 115 -7.922 3.784 6.952 1.00 0.31 C ATOM 1163 CD GLU B 115 -8.708 2.768 7.757 1.00 1.33 C ATOM 1164 OE1 GLU B 115 -9.923 2.978 7.953 1.00 1.80 O ATOM 1165 OE2 GLU B 115 -8.109 1.761 8.190 1.00 2.03 O ATOM 0 H GLU B 115 -5.598 2.942 5.724 1.00 0.14 H new ATOM 0 HA GLU B 115 -7.893 1.384 5.650 1.00 0.18 H new ATOM 0 HB2 GLU B 115 -7.439 4.306 4.935 1.00 0.22 H new ATOM 0 HB3 GLU B 115 -9.026 3.589 5.131 1.00 0.22 H new ATOM 0 HG2 GLU B 115 -6.881 3.770 7.274 1.00 0.31 H new ATOM 0 HG3 GLU B 115 -8.307 4.783 7.159 1.00 0.31 H new ATOM 1172 N ILE B 116 -6.873 2.369 2.690 1.00 0.13 N ATOM 1173 CA ILE B 116 -7.058 2.177 1.256 1.00 0.12 C ATOM 1174 C ILE B 116 -6.842 0.717 0.866 1.00 0.10 C ATOM 1175 O ILE B 116 -7.466 0.214 -0.068 1.00 0.12 O ATOM 1176 CB ILE B 116 -6.095 3.078 0.450 1.00 0.10 C ATOM 1177 CG1 ILE B 116 -6.493 4.546 0.615 1.00 0.10 C ATOM 1178 CG2 ILE B 116 -6.093 2.685 -1.021 1.00 0.11 C ATOM 1179 CD1 ILE B 116 -5.403 5.520 0.221 1.00 0.11 C ATOM 0 H ILE B 116 -6.034 2.892 2.941 1.00 0.13 H new ATOM 0 HA ILE B 116 -8.085 2.456 1.019 1.00 0.12 H new ATOM 0 HB ILE B 116 -5.085 2.942 0.836 1.00 0.10 H new ATOM 0 HG12 ILE B 116 -7.379 4.743 0.012 1.00 0.10 H new ATOM 0 HG13 ILE B 116 -6.769 4.724 1.654 1.00 0.10 H new ATOM 0 HG21 ILE B 116 -5.408 3.332 -1.570 1.00 0.11 H new ATOM 0 HG22 ILE B 116 -5.771 1.649 -1.120 1.00 0.11 H new ATOM 0 HG23 ILE B 116 -7.099 2.793 -1.428 1.00 0.11 H new ATOM 0 HD11 ILE B 116 -5.758 6.541 0.365 1.00 0.11 H new ATOM 0 HD12 ILE B 116 -4.523 5.351 0.841 1.00 0.11 H new ATOM 0 HD13 ILE B 116 -5.143 5.370 -0.827 1.00 0.11 H new ATOM 1191 N PHE B 117 -5.963 0.040 1.595 1.00 0.09 N ATOM 1192 CA PHE B 117 -5.656 -1.361 1.327 1.00 0.09 C ATOM 1193 C PHE B 117 -6.672 -2.285 1.995 1.00 0.11 C ATOM 1194 O PHE B 117 -6.898 -3.405 1.540 1.00 0.15 O ATOM 1195 CB PHE B 117 -4.248 -1.689 1.829 1.00 0.10 C ATOM 1196 CG PHE B 117 -3.688 -2.978 1.292 1.00 0.12 C ATOM 1197 CD1 PHE B 117 -3.995 -4.188 1.895 1.00 0.19 C ATOM 1198 CD2 PHE B 117 -2.862 -2.978 0.178 1.00 0.11 C ATOM 1199 CE1 PHE B 117 -3.487 -5.374 1.397 1.00 0.23 C ATOM 1200 CE2 PHE B 117 -2.353 -4.162 -0.323 1.00 0.13 C ATOM 1201 CZ PHE B 117 -2.639 -5.358 0.308 1.00 0.20 C ATOM 0 H PHE B 117 -5.448 0.440 2.379 1.00 0.09 H new ATOM 0 HA PHE B 117 -5.706 -1.521 0.250 1.00 0.09 H new ATOM 0 HB2 PHE B 117 -3.578 -0.873 1.557 1.00 0.10 H new ATOM 0 HB3 PHE B 117 -4.265 -1.738 2.918 1.00 0.10 H new ATOM 0 HD1 PHE B 117 -4.638 -4.205 2.763 1.00 0.19 H new ATOM 0 HD2 PHE B 117 -2.614 -2.044 -0.303 1.00 0.11 H new ATOM 0 HE1 PHE B 117 -3.754 -6.313 1.860 1.00 0.23 H new ATOM 0 HE2 PHE B 117 -1.732 -4.152 -1.207 1.00 0.13 H new ATOM 0 HZ PHE B 117 -2.200 -6.278 -0.050 1.00 0.20 H new ATOM 1211 N THR B 118 -7.290 -1.802 3.071 1.00 0.12 N ATOM 1212 CA THR B 118 -8.270 -2.593 3.809 1.00 0.16 C ATOM 1213 C THR B 118 -9.576 -2.728 3.038 1.00 0.18 C ATOM 1214 O THR B 118 -10.445 -3.516 3.410 1.00 0.34 O ATOM 1215 CB THR B 118 -8.567 -1.978 5.187 1.00 0.19 C ATOM 1216 OG1 THR B 118 -9.001 -0.621 5.039 1.00 0.26 O ATOM 1217 CG2 THR B 118 -7.336 -2.028 6.077 1.00 0.20 C ATOM 0 H THR B 118 -7.129 -0.869 3.450 1.00 0.12 H new ATOM 0 HA THR B 118 -7.830 -3.581 3.943 1.00 0.16 H new ATOM 0 HB THR B 118 -9.360 -2.561 5.656 1.00 0.19 H new ATOM 0 HG1 THR B 118 -8.844 -0.326 4.118 1.00 0.26 H new ATOM 0 HG21 THR B 118 -7.570 -1.588 7.046 1.00 0.20 H new ATOM 0 HG22 THR B 118 -7.028 -3.065 6.214 1.00 0.20 H new ATOM 0 HG23 THR B 118 -6.526 -1.468 5.610 1.00 0.20 H new ATOM 1225 N LEU B 119 -9.713 -1.954 1.967 1.00 0.14 N ATOM 1226 CA LEU B 119 -10.916 -2.002 1.146 1.00 0.14 C ATOM 1227 C LEU B 119 -10.982 -3.326 0.384 1.00 0.15 C ATOM 1228 O LEU B 119 -10.187 -3.564 -0.523 1.00 0.24 O ATOM 1229 CB LEU B 119 -10.934 -0.820 0.177 1.00 0.16 C ATOM 1230 CG LEU B 119 -10.921 0.554 0.853 1.00 0.26 C ATOM 1231 CD1 LEU B 119 -10.651 1.651 -0.163 1.00 0.81 C ATOM 1232 CD2 LEU B 119 -12.235 0.811 1.574 1.00 1.01 C ATOM 0 H LEU B 119 -9.009 -1.289 1.648 1.00 0.14 H new ATOM 0 HA LEU B 119 -11.791 -1.934 1.792 1.00 0.14 H new ATOM 0 HB2 LEU B 119 -10.070 -0.894 -0.483 1.00 0.16 H new ATOM 0 HB3 LEU B 119 -11.822 -0.894 -0.450 1.00 0.16 H new ATOM 0 HG LEU B 119 -10.117 0.561 1.589 1.00 0.26 H new ATOM 0 HD11 LEU B 119 -10.646 2.619 0.339 1.00 0.81 H new ATOM 0 HD12 LEU B 119 -9.682 1.481 -0.633 1.00 0.81 H new ATOM 0 HD13 LEU B 119 -11.431 1.641 -0.925 1.00 0.81 H new ATOM 0 HD21 LEU B 119 -12.204 1.792 2.047 1.00 1.01 H new ATOM 0 HD22 LEU B 119 -13.056 0.779 0.857 1.00 1.01 H new ATOM 0 HD23 LEU B 119 -12.388 0.046 2.335 1.00 1.01 H new ATOM 1244 N PRO B 120 -11.939 -4.207 0.740 1.00 0.21 N ATOM 1245 CA PRO B 120 -12.079 -5.523 0.104 1.00 0.26 C ATOM 1246 C PRO B 120 -12.622 -5.451 -1.319 1.00 0.26 C ATOM 1247 O PRO B 120 -12.326 -6.313 -2.146 1.00 0.38 O ATOM 1248 CB PRO B 120 -13.065 -6.252 1.017 1.00 0.36 C ATOM 1249 CG PRO B 120 -13.881 -5.171 1.635 1.00 0.38 C ATOM 1250 CD PRO B 120 -12.969 -3.983 1.775 1.00 0.35 C ATOM 0 HA PRO B 120 -11.114 -6.020 0.001 1.00 0.26 H new ATOM 0 HB2 PRO B 120 -13.689 -6.945 0.452 1.00 0.36 H new ATOM 0 HB3 PRO B 120 -12.544 -6.837 1.775 1.00 0.36 H new ATOM 0 HG2 PRO B 120 -14.742 -4.929 1.012 1.00 0.38 H new ATOM 0 HG3 PRO B 120 -14.267 -5.482 2.606 1.00 0.38 H new ATOM 0 HD2 PRO B 120 -13.503 -3.047 1.612 1.00 0.35 H new ATOM 0 HD3 PRO B 120 -12.530 -3.930 2.771 1.00 0.35 H new ATOM 1258 N ASN B 121 -13.415 -4.425 -1.602 1.00 0.22 N ATOM 1259 CA ASN B 121 -13.999 -4.260 -2.927 1.00 0.23 C ATOM 1260 C ASN B 121 -12.951 -3.809 -3.941 1.00 0.19 C ATOM 1261 O ASN B 121 -13.089 -4.057 -5.140 1.00 0.22 O ATOM 1262 CB ASN B 121 -15.152 -3.258 -2.874 1.00 0.28 C ATOM 1263 CG ASN B 121 -16.222 -3.671 -1.881 1.00 0.50 C ATOM 1264 OD1 ASN B 121 -16.854 -2.692 -1.247 1.00 0.98 O flip ATOM 1265 ND2 ASN B 121 -16.474 -4.860 -1.683 1.00 0.50 N flip ATOM 0 H ASN B 121 -13.668 -3.697 -0.934 1.00 0.22 H new ATOM 0 HA ASN B 121 -14.383 -5.227 -3.250 1.00 0.23 H new ATOM 0 HB2 ASN B 121 -14.766 -2.276 -2.602 1.00 0.28 H new ATOM 0 HB3 ASN B 121 -15.595 -3.163 -3.865 1.00 0.28 H new ATOM 0 HD21 ASN B 121 -15.964 -5.581 -2.193 1.00 0.50 H new ATOM 0 HD22 ASN B 121 -17.193 -5.124 -1.009 1.00 0.50 H new ATOM 1272 N LEU B 122 -11.905 -3.146 -3.458 1.00 0.15 N ATOM 1273 CA LEU B 122 -10.839 -2.665 -4.329 1.00 0.13 C ATOM 1274 C LEU B 122 -9.756 -3.716 -4.526 1.00 0.16 C ATOM 1275 O LEU B 122 -9.334 -4.378 -3.577 1.00 0.24 O ATOM 1276 CB LEU B 122 -10.227 -1.386 -3.758 1.00 0.12 C ATOM 1277 CG LEU B 122 -10.728 -0.087 -4.394 1.00 0.14 C ATOM 1278 CD1 LEU B 122 -12.237 -0.123 -4.586 1.00 0.14 C ATOM 1279 CD2 LEU B 122 -10.330 1.105 -3.544 1.00 0.19 C ATOM 0 H LEU B 122 -11.773 -2.930 -2.470 1.00 0.15 H new ATOM 0 HA LEU B 122 -11.280 -2.452 -5.303 1.00 0.13 H new ATOM 0 HB2 LEU B 122 -10.431 -1.351 -2.688 1.00 0.12 H new ATOM 0 HB3 LEU B 122 -9.144 -1.436 -3.875 1.00 0.12 H new ATOM 0 HG LEU B 122 -10.264 0.013 -5.375 1.00 0.14 H new ATOM 0 HD11 LEU B 122 -12.568 0.811 -5.039 1.00 0.14 H new ATOM 0 HD12 LEU B 122 -12.501 -0.956 -5.237 1.00 0.14 H new ATOM 0 HD13 LEU B 122 -12.724 -0.250 -3.619 1.00 0.14 H new ATOM 0 HD21 LEU B 122 -10.693 2.021 -4.009 1.00 0.19 H new ATOM 0 HD22 LEU B 122 -10.766 1.005 -2.550 1.00 0.19 H new ATOM 0 HD23 LEU B 122 -9.244 1.146 -3.461 1.00 0.19 H new ATOM 1291 N ASN B 123 -9.311 -3.860 -5.770 1.00 0.16 N ATOM 1292 CA ASN B 123 -8.269 -4.820 -6.107 1.00 0.20 C ATOM 1293 C ASN B 123 -6.887 -4.215 -5.888 1.00 0.19 C ATOM 1294 O ASN B 123 -6.765 -3.096 -5.391 1.00 0.30 O ATOM 1295 CB ASN B 123 -8.421 -5.281 -7.559 1.00 0.28 C ATOM 1296 CG ASN B 123 -8.722 -4.131 -8.500 1.00 0.91 C ATOM 1297 OD1 ASN B 123 -7.676 -3.521 -9.042 1.00 1.73 O flip ATOM 1298 ND2 ASN B 123 -9.882 -3.797 -8.737 1.00 1.39 N flip ATOM 0 H ASN B 123 -9.658 -3.321 -6.563 1.00 0.16 H new ATOM 0 HA ASN B 123 -8.374 -5.684 -5.451 1.00 0.20 H new ATOM 0 HB2 ASN B 123 -7.505 -5.778 -7.878 1.00 0.28 H new ATOM 0 HB3 ASN B 123 -9.222 -6.018 -7.622 1.00 0.28 H new ATOM 0 HD21 ASN B 123 -10.656 -4.295 -8.297 1.00 1.39 H new ATOM 0 HD22 ASN B 123 -10.070 -3.022 -9.373 1.00 1.39 H new ATOM 1305 N GLY B 124 -5.851 -4.956 -6.265 1.00 0.14 N ATOM 1306 CA GLY B 124 -4.490 -4.481 -6.089 1.00 0.11 C ATOM 1307 C GLY B 124 -4.194 -3.208 -6.863 1.00 0.11 C ATOM 1308 O GLY B 124 -3.573 -2.288 -6.334 1.00 0.17 O ATOM 0 H GLY B 124 -5.929 -5.880 -6.691 1.00 0.14 H new ATOM 0 HA2 GLY B 124 -4.308 -4.304 -5.029 1.00 0.11 H new ATOM 0 HA3 GLY B 124 -3.797 -5.260 -6.406 1.00 0.11 H new ATOM 1312 N ARG B 125 -4.633 -3.157 -8.116 1.00 0.13 N ATOM 1313 CA ARG B 125 -4.399 -1.989 -8.961 1.00 0.14 C ATOM 1314 C ARG B 125 -5.015 -0.729 -8.358 1.00 0.12 C ATOM 1315 O ARG B 125 -4.321 0.263 -8.133 1.00 0.21 O ATOM 1316 CB ARG B 125 -4.974 -2.227 -10.359 1.00 0.20 C ATOM 1317 CG ARG B 125 -4.524 -3.534 -10.989 1.00 0.58 C ATOM 1318 CD ARG B 125 -5.162 -3.741 -12.353 1.00 0.90 C ATOM 1319 NE ARG B 125 -4.801 -5.030 -12.940 1.00 1.75 N ATOM 1320 CZ ARG B 125 -5.218 -5.436 -14.136 1.00 2.18 C ATOM 1321 NH1 ARG B 125 -6.000 -4.655 -14.869 1.00 1.82 N ATOM 1322 NH2 ARG B 125 -4.854 -6.623 -14.601 1.00 3.25 N ATOM 0 H ARG B 125 -5.152 -3.909 -8.569 1.00 0.13 H new ATOM 0 HA ARG B 125 -3.321 -1.840 -9.030 1.00 0.14 H new ATOM 0 HB2 ARG B 125 -6.062 -2.217 -10.301 1.00 0.20 H new ATOM 0 HB3 ARG B 125 -4.682 -1.401 -11.008 1.00 0.20 H new ATOM 0 HG2 ARG B 125 -3.439 -3.537 -11.089 1.00 0.58 H new ATOM 0 HG3 ARG B 125 -4.786 -4.365 -10.333 1.00 0.58 H new ATOM 0 HD2 ARG B 125 -6.246 -3.677 -12.259 1.00 0.90 H new ATOM 0 HD3 ARG B 125 -4.852 -2.939 -13.023 1.00 0.90 H new ATOM 0 HE ARG B 125 -4.196 -5.652 -12.403 1.00 1.75 H new ATOM 0 HH11 ARG B 125 -6.283 -3.741 -14.516 1.00 1.82 H new ATOM 0 HH12 ARG B 125 -6.319 -4.968 -15.786 1.00 1.82 H new ATOM 0 HH21 ARG B 125 -4.253 -7.228 -14.041 1.00 3.25 H new ATOM 0 HH22 ARG B 125 -5.175 -6.932 -15.519 1.00 3.25 H new ATOM 1336 N GLN B 126 -6.320 -0.775 -8.105 1.00 0.12 N ATOM 1337 CA GLN B 126 -7.035 0.364 -7.537 1.00 0.11 C ATOM 1338 C GLN B 126 -6.357 0.887 -6.272 1.00 0.09 C ATOM 1339 O GLN B 126 -5.989 2.059 -6.201 1.00 0.11 O ATOM 1340 CB GLN B 126 -8.481 -0.029 -7.238 1.00 0.13 C ATOM 1341 CG GLN B 126 -9.259 -0.433 -8.479 1.00 0.26 C ATOM 1342 CD GLN B 126 -10.685 -0.843 -8.173 1.00 0.19 C ATOM 1343 OE1 GLN B 126 -10.973 -1.390 -7.113 1.00 0.77 O ATOM 1344 NE2 GLN B 126 -11.584 -0.574 -9.109 1.00 0.64 N ATOM 0 H GLN B 126 -6.905 -1.591 -8.285 1.00 0.12 H new ATOM 0 HA GLN B 126 -7.020 1.169 -8.272 1.00 0.11 H new ATOM 0 HB2 GLN B 126 -8.487 -0.856 -6.528 1.00 0.13 H new ATOM 0 HB3 GLN B 126 -8.986 0.808 -6.756 1.00 0.13 H new ATOM 0 HG2 GLN B 126 -9.269 0.399 -9.183 1.00 0.26 H new ATOM 0 HG3 GLN B 126 -8.746 -1.260 -8.970 1.00 0.26 H new ATOM 0 HE21 GLN B 126 -11.298 -0.118 -9.975 1.00 0.64 H new ATOM 0 HE22 GLN B 126 -12.562 -0.823 -8.963 1.00 0.64 H new ATOM 1353 N VAL B 127 -6.190 0.020 -5.278 1.00 0.09 N ATOM 1354 CA VAL B 127 -5.560 0.419 -4.022 1.00 0.08 C ATOM 1355 C VAL B 127 -4.159 0.979 -4.257 1.00 0.08 C ATOM 1356 O VAL B 127 -3.830 2.058 -3.770 1.00 0.09 O ATOM 1357 CB VAL B 127 -5.489 -0.751 -3.015 1.00 0.09 C ATOM 1358 CG1 VAL B 127 -6.885 -1.249 -2.677 1.00 0.10 C ATOM 1359 CG2 VAL B 127 -4.632 -1.888 -3.552 1.00 0.10 C ATOM 0 H VAL B 127 -6.480 -0.957 -5.316 1.00 0.09 H new ATOM 0 HA VAL B 127 -6.187 1.201 -3.595 1.00 0.08 H new ATOM 0 HB VAL B 127 -5.021 -0.381 -2.103 1.00 0.09 H new ATOM 0 HG11 VAL B 127 -6.815 -2.073 -1.967 1.00 0.10 H new ATOM 0 HG12 VAL B 127 -7.464 -0.438 -2.236 1.00 0.10 H new ATOM 0 HG13 VAL B 127 -7.378 -1.594 -3.586 1.00 0.10 H new ATOM 0 HG21 VAL B 127 -4.601 -2.696 -2.822 1.00 0.10 H new ATOM 0 HG22 VAL B 127 -5.060 -2.257 -4.484 1.00 0.10 H new ATOM 0 HG23 VAL B 127 -3.620 -1.526 -3.736 1.00 0.10 H new ATOM 1369 N ALA B 128 -3.343 0.255 -5.021 1.00 0.09 N ATOM 1370 CA ALA B 128 -1.980 0.689 -5.311 1.00 0.10 C ATOM 1371 C ALA B 128 -1.975 2.045 -6.005 1.00 0.10 C ATOM 1372 O ALA B 128 -0.973 2.762 -5.985 1.00 0.13 O ATOM 1373 CB ALA B 128 -1.263 -0.349 -6.164 1.00 0.10 C ATOM 0 H ALA B 128 -3.603 -0.634 -5.449 1.00 0.09 H new ATOM 0 HA ALA B 128 -1.448 0.792 -4.365 1.00 0.10 H new ATOM 0 HB1 ALA B 128 -0.248 -0.011 -6.372 1.00 0.10 H new ATOM 0 HB2 ALA B 128 -1.227 -1.298 -5.629 1.00 0.10 H new ATOM 0 HB3 ALA B 128 -1.800 -0.482 -7.103 1.00 0.10 H new ATOM 1379 N ALA B 129 -3.103 2.393 -6.615 1.00 0.08 N ATOM 1380 CA ALA B 129 -3.235 3.668 -7.308 1.00 0.09 C ATOM 1381 C ALA B 129 -3.526 4.787 -6.316 1.00 0.09 C ATOM 1382 O ALA B 129 -3.122 5.932 -6.519 1.00 0.12 O ATOM 1383 CB ALA B 129 -4.332 3.593 -8.359 1.00 0.10 C ATOM 0 H ALA B 129 -3.939 1.809 -6.643 1.00 0.08 H new ATOM 0 HA ALA B 129 -2.291 3.886 -7.808 1.00 0.09 H new ATOM 0 HB1 ALA B 129 -4.416 4.554 -8.866 1.00 0.10 H new ATOM 0 HB2 ALA B 129 -4.087 2.819 -9.086 1.00 0.10 H new ATOM 0 HB3 ALA B 129 -5.280 3.352 -7.879 1.00 0.10 H new ATOM 1389 N PHE B 130 -4.234 4.444 -5.246 1.00 0.08 N ATOM 1390 CA PHE B 130 -4.577 5.412 -4.212 1.00 0.08 C ATOM 1391 C PHE B 130 -3.422 5.571 -3.224 1.00 0.09 C ATOM 1392 O PHE B 130 -3.290 6.607 -2.572 1.00 0.14 O ATOM 1393 CB PHE B 130 -5.847 4.976 -3.476 1.00 0.09 C ATOM 1394 CG PHE B 130 -7.110 5.191 -4.266 1.00 0.09 C ATOM 1395 CD1 PHE B 130 -7.632 6.464 -4.426 1.00 0.11 C ATOM 1396 CD2 PHE B 130 -7.776 4.121 -4.848 1.00 0.14 C ATOM 1397 CE1 PHE B 130 -8.793 6.669 -5.148 1.00 0.13 C ATOM 1398 CE2 PHE B 130 -8.937 4.321 -5.571 1.00 0.17 C ATOM 1399 CZ PHE B 130 -9.444 5.579 -5.728 1.00 0.16 C ATOM 0 H PHE B 130 -4.582 3.501 -5.072 1.00 0.08 H new ATOM 0 HA PHE B 130 -4.761 6.375 -4.688 1.00 0.08 H new ATOM 0 HB2 PHE B 130 -5.764 3.919 -3.222 1.00 0.09 H new ATOM 0 HB3 PHE B 130 -5.919 5.525 -2.537 1.00 0.09 H new ATOM 0 HD1 PHE B 130 -7.125 7.308 -3.981 1.00 0.11 H new ATOM 0 HD2 PHE B 130 -7.383 3.122 -4.735 1.00 0.14 H new ATOM 0 HE1 PHE B 130 -9.193 7.665 -5.262 1.00 0.13 H new ATOM 0 HE2 PHE B 130 -9.446 3.478 -6.014 1.00 0.17 H new ATOM 0 HZ PHE B 130 -10.347 5.730 -6.300 1.00 0.16 H new ATOM 1409 N ILE B 131 -2.589 4.535 -3.119 1.00 0.08 N ATOM 1410 CA ILE B 131 -1.437 4.569 -2.222 1.00 0.09 C ATOM 1411 C ILE B 131 -0.333 5.418 -2.833 1.00 0.10 C ATOM 1412 O ILE B 131 0.328 6.195 -2.144 1.00 0.14 O ATOM 1413 CB ILE B 131 -0.878 3.157 -1.946 1.00 0.10 C ATOM 1414 CG1 ILE B 131 -1.979 2.234 -1.411 1.00 0.11 C ATOM 1415 CG2 ILE B 131 0.288 3.232 -0.966 1.00 0.12 C ATOM 1416 CD1 ILE B 131 -2.327 2.466 0.043 1.00 0.13 C ATOM 0 H ILE B 131 -2.691 3.666 -3.643 1.00 0.08 H new ATOM 0 HA ILE B 131 -1.774 4.997 -1.278 1.00 0.09 H new ATOM 0 HB ILE B 131 -0.513 2.739 -2.884 1.00 0.10 H new ATOM 0 HG12 ILE B 131 -2.877 2.369 -2.014 1.00 0.11 H new ATOM 0 HG13 ILE B 131 -1.663 1.198 -1.537 1.00 0.11 H new ATOM 0 HG21 ILE B 131 0.672 2.229 -0.780 1.00 0.12 H new ATOM 0 HG22 ILE B 131 1.079 3.851 -1.389 1.00 0.12 H new ATOM 0 HG23 ILE B 131 -0.053 3.669 -0.028 1.00 0.12 H new ATOM 0 HD11 ILE B 131 -3.113 1.774 0.344 1.00 0.13 H new ATOM 0 HD12 ILE B 131 -1.443 2.301 0.659 1.00 0.13 H new ATOM 0 HD13 ILE B 131 -2.676 3.490 0.175 1.00 0.13 H new ATOM 1428 N SER B 132 -0.141 5.255 -4.139 1.00 0.11 N ATOM 1429 CA SER B 132 0.875 6.003 -4.867 1.00 0.13 C ATOM 1430 C SER B 132 0.640 7.500 -4.725 1.00 0.15 C ATOM 1431 O SER B 132 1.525 8.239 -4.292 1.00 0.21 O ATOM 1432 CB SER B 132 0.856 5.614 -6.346 1.00 0.17 C ATOM 1433 OG SER B 132 1.878 6.285 -7.064 1.00 0.63 O ATOM 0 H SER B 132 -0.679 4.608 -4.715 1.00 0.11 H new ATOM 0 HA SER B 132 1.850 5.760 -4.445 1.00 0.13 H new ATOM 0 HB2 SER B 132 0.987 4.536 -6.443 1.00 0.17 H new ATOM 0 HB3 SER B 132 -0.115 5.858 -6.777 1.00 0.17 H new ATOM 0 HG SER B 132 1.845 6.018 -8.006 1.00 0.63 H new ATOM 1439 N SER B 133 -0.559 7.940 -5.095 1.00 0.15 N ATOM 1440 CA SER B 133 -0.921 9.350 -5.007 1.00 0.19 C ATOM 1441 C SER B 133 -0.712 9.871 -3.590 1.00 0.18 C ATOM 1442 O SER B 133 -0.352 11.031 -3.388 1.00 0.26 O ATOM 1443 CB SER B 133 -2.381 9.549 -5.414 1.00 0.23 C ATOM 1444 OG SER B 133 -2.664 10.918 -5.644 1.00 0.74 O ATOM 0 H SER B 133 -1.298 7.338 -5.459 1.00 0.15 H new ATOM 0 HA SER B 133 -0.278 9.908 -5.688 1.00 0.19 H new ATOM 0 HB2 SER B 133 -2.592 8.974 -6.316 1.00 0.23 H new ATOM 0 HB3 SER B 133 -3.036 9.166 -4.631 1.00 0.23 H new ATOM 0 HG SER B 133 -3.369 10.997 -6.320 1.00 0.74 H new ATOM 1450 N LEU B 134 -0.946 9.001 -2.613 1.00 0.13 N ATOM 1451 CA LEU B 134 -0.791 9.362 -1.210 1.00 0.13 C ATOM 1452 C LEU B 134 0.648 9.758 -0.903 1.00 0.15 C ATOM 1453 O LEU B 134 0.914 10.864 -0.433 1.00 0.21 O ATOM 1454 CB LEU B 134 -1.209 8.192 -0.316 1.00 0.14 C ATOM 1455 CG LEU B 134 -2.288 8.513 0.714 1.00 0.17 C ATOM 1456 CD1 LEU B 134 -2.559 7.304 1.592 1.00 0.22 C ATOM 1457 CD2 LEU B 134 -1.876 9.707 1.559 1.00 0.20 C ATOM 0 H LEU B 134 -1.245 8.038 -2.769 1.00 0.13 H new ATOM 0 HA LEU B 134 -1.434 10.219 -1.008 1.00 0.13 H new ATOM 0 HB2 LEU B 134 -1.565 7.380 -0.950 1.00 0.14 H new ATOM 0 HB3 LEU B 134 -0.327 7.823 0.208 1.00 0.14 H new ATOM 0 HG LEU B 134 -3.207 8.767 0.186 1.00 0.17 H new ATOM 0 HD11 LEU B 134 -3.331 7.550 2.321 1.00 0.22 H new ATOM 0 HD12 LEU B 134 -2.896 6.473 0.973 1.00 0.22 H new ATOM 0 HD13 LEU B 134 -1.645 7.021 2.113 1.00 0.22 H new ATOM 0 HD21 LEU B 134 -2.656 9.923 2.289 1.00 0.20 H new ATOM 0 HD22 LEU B 134 -0.945 9.481 2.079 1.00 0.20 H new ATOM 0 HD23 LEU B 134 -1.730 10.575 0.916 1.00 0.20 H new ATOM 1469 N LEU B 135 1.569 8.842 -1.172 1.00 0.17 N ATOM 1470 CA LEU B 135 2.986 9.078 -0.927 1.00 0.22 C ATOM 1471 C LEU B 135 3.533 10.146 -1.869 1.00 0.24 C ATOM 1472 O LEU B 135 4.550 10.779 -1.583 1.00 0.31 O ATOM 1473 CB LEU B 135 3.769 7.770 -1.097 1.00 0.26 C ATOM 1474 CG LEU B 135 3.675 6.763 0.066 1.00 0.31 C ATOM 1475 CD1 LEU B 135 2.430 6.989 0.918 1.00 0.67 C ATOM 1476 CD2 LEU B 135 3.682 5.341 -0.472 1.00 0.65 C ATOM 0 H LEU B 135 1.358 7.923 -1.562 1.00 0.17 H new ATOM 0 HA LEU B 135 3.104 9.437 0.095 1.00 0.22 H new ATOM 0 HB2 LEU B 135 3.420 7.278 -2.005 1.00 0.26 H new ATOM 0 HB3 LEU B 135 4.819 8.017 -1.252 1.00 0.26 H new ATOM 0 HG LEU B 135 4.545 6.918 0.704 1.00 0.31 H new ATOM 0 HD11 LEU B 135 2.404 6.257 1.726 1.00 0.67 H new ATOM 0 HD12 LEU B 135 2.455 7.994 1.339 1.00 0.67 H new ATOM 0 HD13 LEU B 135 1.540 6.877 0.299 1.00 0.67 H new ATOM 0 HD21 LEU B 135 3.615 4.638 0.358 1.00 0.65 H new ATOM 0 HD22 LEU B 135 2.830 5.199 -1.137 1.00 0.65 H new ATOM 0 HD23 LEU B 135 4.606 5.165 -1.023 1.00 0.65 H new ATOM 1488 N ASP B 136 2.851 10.339 -2.994 1.00 0.22 N ATOM 1489 CA ASP B 136 3.262 11.332 -3.981 1.00 0.26 C ATOM 1490 C ASP B 136 2.737 12.714 -3.609 1.00 0.25 C ATOM 1491 O ASP B 136 3.242 13.732 -4.082 1.00 0.29 O ATOM 1492 CB ASP B 136 2.756 10.938 -5.372 1.00 0.29 C ATOM 1493 CG ASP B 136 3.125 11.956 -6.434 1.00 0.37 C ATOM 1494 OD1 ASP B 136 4.260 11.892 -6.949 1.00 0.47 O ATOM 1495 OD2 ASP B 136 2.277 12.816 -6.751 1.00 0.40 O ATOM 0 H ASP B 136 2.010 9.820 -3.245 1.00 0.22 H new ATOM 0 HA ASP B 136 4.351 11.368 -3.995 1.00 0.26 H new ATOM 0 HB2 ASP B 136 3.170 9.967 -5.644 1.00 0.29 H new ATOM 0 HB3 ASP B 136 1.672 10.825 -5.342 1.00 0.29 H new ATOM 1500 N ASP B 137 1.720 12.739 -2.752 1.00 0.24 N ATOM 1501 CA ASP B 137 1.117 13.991 -2.309 1.00 0.27 C ATOM 1502 C ASP B 137 0.307 13.771 -1.032 1.00 0.22 C ATOM 1503 O ASP B 137 -0.924 13.731 -1.069 1.00 0.24 O ATOM 1504 CB ASP B 137 0.221 14.569 -3.406 1.00 0.38 C ATOM 1505 CG ASP B 137 -0.290 15.953 -3.059 1.00 1.19 C ATOM 1506 OD1 ASP B 137 0.448 16.934 -3.289 1.00 1.42 O ATOM 1507 OD2 ASP B 137 -1.430 16.057 -2.559 1.00 2.13 O ATOM 0 H ASP B 137 1.296 11.903 -2.350 1.00 0.24 H new ATOM 0 HA ASP B 137 1.916 14.702 -2.098 1.00 0.27 H new ATOM 0 HB2 ASP B 137 0.778 14.614 -4.342 1.00 0.38 H new ATOM 0 HB3 ASP B 137 -0.625 13.902 -3.570 1.00 0.38 H new ATOM 1512 N PRO B 138 0.993 13.625 0.117 1.00 0.19 N ATOM 1513 CA PRO B 138 0.337 13.402 1.412 1.00 0.21 C ATOM 1514 C PRO B 138 -0.662 14.499 1.762 1.00 0.22 C ATOM 1515 O PRO B 138 -1.425 14.371 2.719 1.00 0.31 O ATOM 1516 CB PRO B 138 1.499 13.403 2.412 1.00 0.24 C ATOM 1517 CG PRO B 138 2.704 13.070 1.602 1.00 0.25 C ATOM 1518 CD PRO B 138 2.462 13.660 0.243 1.00 0.23 C ATOM 0 HA PRO B 138 -0.244 12.480 1.412 1.00 0.21 H new ATOM 0 HB2 PRO B 138 1.604 14.375 2.894 1.00 0.24 H new ATOM 0 HB3 PRO B 138 1.340 12.670 3.203 1.00 0.24 H new ATOM 0 HG2 PRO B 138 3.605 13.485 2.053 1.00 0.25 H new ATOM 0 HG3 PRO B 138 2.847 11.991 1.540 1.00 0.25 H new ATOM 0 HD2 PRO B 138 2.848 14.677 0.171 1.00 0.23 H new ATOM 0 HD3 PRO B 138 2.947 13.078 -0.541 1.00 0.23 H new ATOM 1526 N SER B 139 -0.653 15.577 0.985 1.00 0.20 N ATOM 1527 CA SER B 139 -1.562 16.692 1.215 1.00 0.22 C ATOM 1528 C SER B 139 -3.006 16.275 0.952 1.00 0.19 C ATOM 1529 O SER B 139 -3.911 16.620 1.712 1.00 0.19 O ATOM 1530 CB SER B 139 -1.187 17.878 0.324 1.00 0.28 C ATOM 1531 OG SER B 139 -2.062 18.972 0.537 1.00 1.15 O ATOM 0 H SER B 139 -0.026 15.701 0.190 1.00 0.20 H new ATOM 0 HA SER B 139 -1.474 16.993 2.259 1.00 0.22 H new ATOM 0 HB2 SER B 139 -0.161 18.183 0.531 1.00 0.28 H new ATOM 0 HB3 SER B 139 -1.224 17.577 -0.723 1.00 0.28 H new ATOM 0 HG SER B 139 -1.801 19.718 -0.043 1.00 1.15 H new ATOM 1537 N GLN B 140 -3.213 15.531 -0.132 1.00 0.18 N ATOM 1538 CA GLN B 140 -4.547 15.065 -0.496 1.00 0.17 C ATOM 1539 C GLN B 140 -4.837 13.705 0.121 1.00 0.15 C ATOM 1540 O GLN B 140 -5.683 12.967 -0.369 1.00 0.14 O ATOM 1541 CB GLN B 140 -4.690 14.970 -2.014 1.00 0.21 C ATOM 1542 CG GLN B 140 -4.613 16.310 -2.722 1.00 0.26 C ATOM 1543 CD GLN B 140 -5.658 17.293 -2.229 1.00 1.09 C ATOM 1544 OE1 GLN B 140 -6.769 17.351 -2.756 1.00 1.74 O ATOM 1545 NE2 GLN B 140 -5.305 18.075 -1.216 1.00 1.37 N ATOM 0 H GLN B 140 -2.475 15.239 -0.772 1.00 0.18 H new ATOM 0 HA GLN B 140 -5.264 15.790 -0.111 1.00 0.17 H new ATOM 0 HB2 GLN B 140 -3.907 14.319 -2.403 1.00 0.21 H new ATOM 0 HB3 GLN B 140 -5.644 14.499 -2.251 1.00 0.21 H new ATOM 0 HG2 GLN B 140 -3.621 16.737 -2.576 1.00 0.26 H new ATOM 0 HG3 GLN B 140 -4.740 16.158 -3.794 1.00 0.26 H new ATOM 0 HE21 GLN B 140 -4.373 17.993 -0.809 1.00 1.37 H new ATOM 0 HE22 GLN B 140 -5.966 18.758 -0.845 1.00 1.37 H new ATOM 1554 N SER B 141 -4.127 13.382 1.192 1.00 0.15 N ATOM 1555 CA SER B 141 -4.300 12.102 1.873 1.00 0.13 C ATOM 1556 C SER B 141 -5.767 11.812 2.170 1.00 0.13 C ATOM 1557 O SER B 141 -6.276 10.744 1.832 1.00 0.18 O ATOM 1558 CB SER B 141 -3.501 12.086 3.179 1.00 0.15 C ATOM 1559 OG SER B 141 -3.755 10.904 3.919 1.00 1.01 O ATOM 0 H SER B 141 -3.423 13.989 1.611 1.00 0.15 H new ATOM 0 HA SER B 141 -3.930 11.325 1.204 1.00 0.13 H new ATOM 0 HB2 SER B 141 -2.436 12.159 2.958 1.00 0.15 H new ATOM 0 HB3 SER B 141 -3.762 12.958 3.779 1.00 0.15 H new ATOM 0 HG SER B 141 -3.232 10.918 4.747 1.00 1.01 H new ATOM 1565 N ALA B 142 -6.441 12.764 2.804 1.00 0.16 N ATOM 1566 CA ALA B 142 -7.846 12.599 3.155 1.00 0.17 C ATOM 1567 C ALA B 142 -8.735 12.544 1.919 1.00 0.17 C ATOM 1568 O ALA B 142 -9.792 11.914 1.940 1.00 0.18 O ATOM 1569 CB ALA B 142 -8.292 13.720 4.081 1.00 0.20 C ATOM 0 H ALA B 142 -6.038 13.658 3.085 1.00 0.16 H new ATOM 0 HA ALA B 142 -7.948 11.646 3.674 1.00 0.17 H new ATOM 0 HB1 ALA B 142 -9.343 13.585 4.336 1.00 0.20 H new ATOM 0 HB2 ALA B 142 -7.693 13.700 4.991 1.00 0.20 H new ATOM 0 HB3 ALA B 142 -8.160 14.679 3.581 1.00 0.20 H new ATOM 1575 N ASN B 143 -8.312 13.200 0.843 1.00 0.17 N ATOM 1576 CA ASN B 143 -9.093 13.214 -0.386 1.00 0.18 C ATOM 1577 C ASN B 143 -8.854 11.940 -1.182 1.00 0.16 C ATOM 1578 O ASN B 143 -9.726 11.469 -1.907 1.00 0.17 O ATOM 1579 CB ASN B 143 -8.742 14.433 -1.235 1.00 0.20 C ATOM 1580 CG ASN B 143 -8.932 15.737 -0.485 1.00 0.23 C ATOM 1581 OD1 ASN B 143 -7.884 16.184 0.198 1.00 0.26 O flip ATOM 1582 ND2 ASN B 143 -10.007 16.336 -0.517 1.00 0.23 N flip ATOM 0 H ASN B 143 -7.439 13.725 0.798 1.00 0.17 H new ATOM 0 HA ASN B 143 -10.148 13.269 -0.117 1.00 0.18 H new ATOM 0 HB2 ASN B 143 -7.706 14.355 -1.566 1.00 0.20 H new ATOM 0 HB3 ASN B 143 -9.363 14.439 -2.131 1.00 0.20 H new ATOM 0 HD21 ASN B 143 -10.786 15.957 -1.055 1.00 0.23 H new ATOM 0 HD22 ASN B 143 -10.118 17.212 -0.006 1.00 0.23 H new ATOM 1589 N LEU B 144 -7.661 11.387 -1.026 1.00 0.14 N ATOM 1590 CA LEU B 144 -7.271 10.173 -1.718 1.00 0.12 C ATOM 1591 C LEU B 144 -7.907 8.963 -1.056 1.00 0.11 C ATOM 1592 O LEU B 144 -8.309 8.011 -1.725 1.00 0.13 O ATOM 1593 CB LEU B 144 -5.749 10.060 -1.719 1.00 0.12 C ATOM 1594 CG LEU B 144 -5.040 11.086 -2.603 1.00 0.13 C ATOM 1595 CD1 LEU B 144 -3.554 11.101 -2.308 1.00 0.14 C ATOM 1596 CD2 LEU B 144 -5.295 10.786 -4.072 1.00 0.14 C ATOM 0 H LEU B 144 -6.938 11.769 -0.416 1.00 0.14 H new ATOM 0 HA LEU B 144 -7.621 10.211 -2.750 1.00 0.12 H new ATOM 0 HB2 LEU B 144 -5.388 10.169 -0.696 1.00 0.12 H new ATOM 0 HB3 LEU B 144 -5.471 9.059 -2.050 1.00 0.12 H new ATOM 0 HG LEU B 144 -5.442 12.074 -2.381 1.00 0.13 H new ATOM 0 HD11 LEU B 144 -3.064 11.837 -2.946 1.00 0.14 H new ATOM 0 HD12 LEU B 144 -3.393 11.363 -1.262 1.00 0.14 H new ATOM 0 HD13 LEU B 144 -3.134 10.114 -2.504 1.00 0.14 H new ATOM 0 HD21 LEU B 144 -4.784 11.525 -4.688 1.00 0.14 H new ATOM 0 HD22 LEU B 144 -4.919 9.791 -4.311 1.00 0.14 H new ATOM 0 HD23 LEU B 144 -6.366 10.826 -4.271 1.00 0.14 H new ATOM 1608 N LEU B 145 -7.993 9.009 0.266 1.00 0.11 N ATOM 1609 CA LEU B 145 -8.614 7.938 1.024 1.00 0.11 C ATOM 1610 C LEU B 145 -10.122 8.054 0.876 1.00 0.12 C ATOM 1611 O LEU B 145 -10.845 7.059 0.908 1.00 0.11 O ATOM 1612 CB LEU B 145 -8.206 8.014 2.498 1.00 0.12 C ATOM 1613 CG LEU B 145 -9.101 7.243 3.475 1.00 0.13 C ATOM 1614 CD1 LEU B 145 -9.174 5.772 3.094 1.00 0.15 C ATOM 1615 CD2 LEU B 145 -8.590 7.402 4.899 1.00 0.16 C ATOM 0 H LEU B 145 -7.639 9.779 0.834 1.00 0.11 H new ATOM 0 HA LEU B 145 -8.281 6.973 0.641 1.00 0.11 H new ATOM 0 HB2 LEU B 145 -7.187 7.639 2.594 1.00 0.12 H new ATOM 0 HB3 LEU B 145 -8.190 9.062 2.798 1.00 0.12 H new ATOM 0 HG LEU B 145 -10.107 7.658 3.419 1.00 0.13 H new ATOM 0 HD11 LEU B 145 -9.814 5.244 3.801 1.00 0.15 H new ATOM 0 HD12 LEU B 145 -9.586 5.676 2.090 1.00 0.15 H new ATOM 0 HD13 LEU B 145 -8.174 5.340 3.118 1.00 0.15 H new ATOM 0 HD21 LEU B 145 -9.236 6.849 5.581 1.00 0.16 H new ATOM 0 HD22 LEU B 145 -7.574 7.014 4.966 1.00 0.16 H new ATOM 0 HD23 LEU B 145 -8.594 8.457 5.171 1.00 0.16 H new ATOM 1627 N ALA B 146 -10.582 9.289 0.701 1.00 0.16 N ATOM 1628 CA ALA B 146 -11.999 9.554 0.518 1.00 0.17 C ATOM 1629 C ALA B 146 -12.464 8.964 -0.806 1.00 0.16 C ATOM 1630 O ALA B 146 -13.480 8.274 -0.869 1.00 0.17 O ATOM 1631 CB ALA B 146 -12.275 11.051 0.560 1.00 0.20 C ATOM 0 H ALA B 146 -9.991 10.120 0.683 1.00 0.16 H new ATOM 0 HA ALA B 146 -12.553 9.085 1.331 1.00 0.17 H new ATOM 0 HB1 ALA B 146 -13.341 11.228 0.421 1.00 0.20 H new ATOM 0 HB2 ALA B 146 -11.963 11.452 1.525 1.00 0.20 H new ATOM 0 HB3 ALA B 146 -11.718 11.546 -0.236 1.00 0.20 H new ATOM 1637 N GLU B 147 -11.695 9.235 -1.860 1.00 0.18 N ATOM 1638 CA GLU B 147 -12.002 8.726 -3.188 1.00 0.19 C ATOM 1639 C GLU B 147 -12.011 7.210 -3.163 1.00 0.16 C ATOM 1640 O GLU B 147 -12.933 6.568 -3.666 1.00 0.18 O ATOM 1641 CB GLU B 147 -10.958 9.211 -4.193 1.00 0.27 C ATOM 1642 CG GLU B 147 -10.972 10.712 -4.410 1.00 0.18 C ATOM 1643 CD GLU B 147 -12.000 11.147 -5.435 1.00 0.39 C ATOM 1644 OE1 GLU B 147 -11.836 10.802 -6.624 1.00 0.57 O ATOM 1645 OE2 GLU B 147 -12.969 11.834 -5.050 1.00 0.62 O ATOM 0 H GLU B 147 -10.852 9.807 -1.815 1.00 0.18 H new ATOM 0 HA GLU B 147 -12.983 9.093 -3.488 1.00 0.19 H new ATOM 0 HB2 GLU B 147 -9.968 8.912 -3.848 1.00 0.27 H new ATOM 0 HB3 GLU B 147 -11.127 8.713 -5.148 1.00 0.27 H new ATOM 0 HG2 GLU B 147 -11.177 11.210 -3.462 1.00 0.18 H new ATOM 0 HG3 GLU B 147 -9.983 11.037 -4.733 1.00 0.18 H new ATOM 1652 N ALA B 148 -10.961 6.653 -2.575 1.00 0.13 N ATOM 1653 CA ALA B 148 -10.820 5.213 -2.452 1.00 0.12 C ATOM 1654 C ALA B 148 -12.076 4.602 -1.848 1.00 0.14 C ATOM 1655 O ALA B 148 -12.578 3.585 -2.325 1.00 0.20 O ATOM 1656 CB ALA B 148 -9.612 4.882 -1.594 1.00 0.11 C ATOM 0 H ALA B 148 -10.189 7.185 -2.173 1.00 0.13 H new ATOM 0 HA ALA B 148 -10.676 4.791 -3.447 1.00 0.12 H new ATOM 0 HB1 ALA B 148 -9.513 3.800 -1.507 1.00 0.11 H new ATOM 0 HB2 ALA B 148 -8.714 5.292 -2.056 1.00 0.11 H new ATOM 0 HB3 ALA B 148 -9.740 5.316 -0.602 1.00 0.11 H new ATOM 1662 N LYS B 149 -12.574 5.233 -0.791 1.00 0.14 N ATOM 1663 CA LYS B 149 -13.775 4.767 -0.116 1.00 0.17 C ATOM 1664 C LYS B 149 -14.980 4.829 -1.049 1.00 0.17 C ATOM 1665 O LYS B 149 -15.909 4.032 -0.928 1.00 0.22 O ATOM 1666 CB LYS B 149 -14.034 5.601 1.139 1.00 0.24 C ATOM 1667 CG LYS B 149 -13.113 5.257 2.297 1.00 0.34 C ATOM 1668 CD LYS B 149 -13.509 6.002 3.560 1.00 0.42 C ATOM 1669 CE LYS B 149 -12.488 5.803 4.667 1.00 0.59 C ATOM 1670 NZ LYS B 149 -12.915 6.447 5.939 1.00 1.01 N ATOM 0 H LYS B 149 -12.161 6.072 -0.383 1.00 0.14 H new ATOM 0 HA LYS B 149 -13.622 3.728 0.176 1.00 0.17 H new ATOM 0 HB2 LYS B 149 -13.918 6.657 0.894 1.00 0.24 H new ATOM 0 HB3 LYS B 149 -15.068 5.459 1.453 1.00 0.24 H new ATOM 0 HG2 LYS B 149 -13.143 4.183 2.481 1.00 0.34 H new ATOM 0 HG3 LYS B 149 -12.085 5.506 2.033 1.00 0.34 H new ATOM 0 HD2 LYS B 149 -13.607 7.065 3.341 1.00 0.42 H new ATOM 0 HD3 LYS B 149 -14.486 5.655 3.898 1.00 0.42 H new ATOM 0 HE2 LYS B 149 -12.336 4.737 4.833 1.00 0.59 H new ATOM 0 HE3 LYS B 149 -11.529 6.217 4.355 1.00 0.59 H new ATOM 0 HZ1 LYS B 149 -12.191 6.288 6.669 1.00 1.01 H new ATOM 0 HZ2 LYS B 149 -13.035 7.469 5.787 1.00 1.01 H new ATOM 0 HZ3 LYS B 149 -13.817 6.035 6.251 1.00 1.01 H new ATOM 1684 N LYS B 150 -14.960 5.779 -1.983 1.00 0.17 N ATOM 1685 CA LYS B 150 -16.053 5.923 -2.936 1.00 0.20 C ATOM 1686 C LYS B 150 -16.029 4.775 -3.935 1.00 0.21 C ATOM 1687 O LYS B 150 -17.067 4.210 -4.273 1.00 0.30 O ATOM 1688 CB LYS B 150 -15.963 7.254 -3.685 1.00 0.25 C ATOM 1689 CG LYS B 150 -15.906 8.473 -2.776 1.00 0.72 C ATOM 1690 CD LYS B 150 -16.238 9.753 -3.524 1.00 0.81 C ATOM 1691 CE LYS B 150 -15.367 9.936 -4.759 1.00 1.28 C ATOM 1692 NZ LYS B 150 -15.715 11.176 -5.506 1.00 1.99 N ATOM 0 H LYS B 150 -14.204 6.454 -2.098 1.00 0.17 H new ATOM 0 HA LYS B 150 -16.989 5.904 -2.378 1.00 0.20 H new ATOM 0 HB2 LYS B 150 -15.076 7.244 -4.318 1.00 0.25 H new ATOM 0 HB3 LYS B 150 -16.825 7.346 -4.346 1.00 0.25 H new ATOM 0 HG2 LYS B 150 -16.606 8.343 -1.950 1.00 0.72 H new ATOM 0 HG3 LYS B 150 -14.910 8.555 -2.340 1.00 0.72 H new ATOM 0 HD2 LYS B 150 -17.287 9.738 -3.820 1.00 0.81 H new ATOM 0 HD3 LYS B 150 -16.106 10.606 -2.858 1.00 0.81 H new ATOM 0 HE2 LYS B 150 -14.319 9.974 -4.462 1.00 1.28 H new ATOM 0 HE3 LYS B 150 -15.481 9.073 -5.415 1.00 1.28 H new ATOM 0 HZ1 LYS B 150 -16.043 10.926 -6.461 1.00 1.99 H new ATOM 0 HZ2 LYS B 150 -16.470 11.684 -5.003 1.00 1.99 H new ATOM 0 HZ3 LYS B 150 -14.875 11.785 -5.577 1.00 1.99 H new ATOM 1706 N LEU B 151 -14.830 4.438 -4.404 1.00 0.16 N ATOM 1707 CA LEU B 151 -14.665 3.352 -5.360 1.00 0.16 C ATOM 1708 C LEU B 151 -15.104 2.035 -4.733 1.00 0.15 C ATOM 1709 O LEU B 151 -15.841 1.257 -5.337 1.00 0.18 O ATOM 1710 CB LEU B 151 -13.205 3.265 -5.817 1.00 0.16 C ATOM 1711 CG LEU B 151 -12.925 2.252 -6.931 1.00 0.16 C ATOM 1712 CD1 LEU B 151 -13.890 2.444 -8.087 1.00 0.18 C ATOM 1713 CD2 LEU B 151 -11.487 2.376 -7.411 1.00 0.18 C ATOM 0 H LEU B 151 -13.962 4.902 -4.137 1.00 0.16 H new ATOM 0 HA LEU B 151 -15.289 3.551 -6.231 1.00 0.16 H new ATOM 0 HB2 LEU B 151 -12.889 4.251 -6.158 1.00 0.16 H new ATOM 0 HB3 LEU B 151 -12.587 3.012 -4.956 1.00 0.16 H new ATOM 0 HG LEU B 151 -13.071 1.250 -6.528 1.00 0.16 H new ATOM 0 HD11 LEU B 151 -13.673 1.714 -8.867 1.00 0.18 H new ATOM 0 HD12 LEU B 151 -14.912 2.306 -7.735 1.00 0.18 H new ATOM 0 HD13 LEU B 151 -13.779 3.450 -8.491 1.00 0.18 H new ATOM 0 HD21 LEU B 151 -11.304 1.649 -8.203 1.00 0.18 H new ATOM 0 HD22 LEU B 151 -11.317 3.382 -7.795 1.00 0.18 H new ATOM 0 HD23 LEU B 151 -10.808 2.186 -6.580 1.00 0.18 H new ATOM 1725 N ASN B 152 -14.631 1.796 -3.516 1.00 0.13 N ATOM 1726 CA ASN B 152 -14.984 0.591 -2.771 1.00 0.14 C ATOM 1727 C ASN B 152 -16.497 0.457 -2.645 1.00 0.17 C ATOM 1728 O ASN B 152 -17.080 -0.532 -3.089 1.00 0.21 O ATOM 1729 CB ASN B 152 -14.345 0.629 -1.383 1.00 0.20 C ATOM 1730 CG ASN B 152 -14.843 -0.485 -0.484 1.00 0.39 C ATOM 1731 OD1 ASN B 152 -14.135 -1.607 -0.487 1.00 1.39 O flip ATOM 1732 ND2 ASN B 152 -15.850 -0.338 0.209 1.00 0.69 N flip ATOM 0 H ASN B 152 -13.998 2.424 -3.021 1.00 0.13 H new ATOM 0 HA ASN B 152 -14.606 -0.274 -3.316 1.00 0.14 H new ATOM 0 HB2 ASN B 152 -13.262 0.554 -1.483 1.00 0.20 H new ATOM 0 HB3 ASN B 152 -14.556 1.591 -0.915 1.00 0.20 H new ATOM 0 HD21 ASN B 152 -16.365 0.542 0.181 1.00 0.69 H new ATOM 0 HD22 ASN B 152 -16.170 -1.096 0.812 1.00 0.69 H new ATOM 1739 N ASP B 153 -17.127 1.458 -2.038 1.00 0.18 N ATOM 1740 CA ASP B 153 -18.576 1.451 -1.856 1.00 0.23 C ATOM 1741 C ASP B 153 -19.296 1.398 -3.201 1.00 0.25 C ATOM 1742 O ASP B 153 -20.443 0.956 -3.283 1.00 0.31 O ATOM 1743 CB ASP B 153 -19.025 2.683 -1.068 1.00 0.28 C ATOM 1744 CG ASP B 153 -18.659 2.592 0.402 1.00 1.20 C ATOM 1745 OD1 ASP B 153 -19.352 1.867 1.144 1.00 1.04 O ATOM 1746 OD2 ASP B 153 -17.678 3.250 0.810 1.00 2.25 O ATOM 0 H ASP B 153 -16.659 2.283 -1.664 1.00 0.18 H new ATOM 0 HA ASP B 153 -18.838 0.557 -1.290 1.00 0.23 H new ATOM 0 HB2 ASP B 153 -18.568 3.574 -1.499 1.00 0.28 H new ATOM 0 HB3 ASP B 153 -20.104 2.800 -1.165 1.00 0.28 H new ATOM 1751 N ALA B 154 -18.618 1.850 -4.253 1.00 0.23 N ATOM 1752 CA ALA B 154 -19.194 1.844 -5.593 1.00 0.28 C ATOM 1753 C ALA B 154 -19.392 0.417 -6.088 1.00 0.30 C ATOM 1754 O ALA B 154 -20.504 0.014 -6.428 1.00 0.35 O ATOM 1755 CB ALA B 154 -18.309 2.622 -6.556 1.00 0.28 C ATOM 0 H ALA B 154 -17.671 2.224 -4.203 1.00 0.23 H new ATOM 0 HA ALA B 154 -20.169 2.329 -5.548 1.00 0.28 H new ATOM 0 HB1 ALA B 154 -18.753 2.607 -7.551 1.00 0.28 H new ATOM 0 HB2 ALA B 154 -18.218 3.653 -6.214 1.00 0.28 H new ATOM 0 HB3 ALA B 154 -17.321 2.163 -6.593 1.00 0.28 H new ATOM 1761 N GLN B 155 -18.302 -0.343 -6.125 1.00 0.30 N ATOM 1762 CA GLN B 155 -18.351 -1.731 -6.569 1.00 0.35 C ATOM 1763 C GLN B 155 -18.983 -2.609 -5.496 1.00 0.36 C ATOM 1764 O GLN B 155 -19.378 -3.745 -5.758 1.00 0.44 O ATOM 1765 CB GLN B 155 -16.944 -2.241 -6.883 1.00 0.35 C ATOM 1766 CG GLN B 155 -16.140 -1.318 -7.781 1.00 0.36 C ATOM 1767 CD GLN B 155 -14.767 -1.877 -8.096 1.00 0.41 C ATOM 1768 OE1 GLN B 155 -13.797 -1.585 -7.237 1.00 0.51 O flip ATOM 1769 NE2 GLN B 155 -14.579 -2.569 -9.097 1.00 0.39 N flip ATOM 0 H GLN B 155 -17.374 -0.020 -5.853 1.00 0.30 H new ATOM 0 HA GLN B 155 -18.958 -1.778 -7.473 1.00 0.35 H new ATOM 0 HB2 GLN B 155 -16.403 -2.383 -5.948 1.00 0.35 H new ATOM 0 HB3 GLN B 155 -17.021 -3.219 -7.359 1.00 0.35 H new ATOM 0 HG2 GLN B 155 -16.685 -1.153 -8.710 1.00 0.36 H new ATOM 0 HG3 GLN B 155 -16.033 -0.347 -7.298 1.00 0.36 H new ATOM 0 HE21 GLN B 155 -15.352 -2.769 -9.731 1.00 0.39 H new ATOM 0 HE22 GLN B 155 -13.650 -2.942 -9.292 1.00 0.39 H new ATOM 1778 N ALA B 156 -19.070 -2.067 -4.284 1.00 0.31 N ATOM 1779 CA ALA B 156 -19.644 -2.789 -3.154 1.00 0.34 C ATOM 1780 C ALA B 156 -21.043 -3.315 -3.472 1.00 0.47 C ATOM 1781 O ALA B 156 -21.697 -2.833 -4.397 1.00 0.56 O ATOM 1782 CB ALA B 156 -19.680 -1.891 -1.927 1.00 0.36 C ATOM 0 H ALA B 156 -18.748 -1.125 -4.060 1.00 0.31 H new ATOM 0 HA ALA B 156 -19.009 -3.651 -2.949 1.00 0.34 H new ATOM 0 HB1 ALA B 156 -20.110 -2.438 -1.088 1.00 0.36 H new ATOM 0 HB2 ALA B 156 -18.667 -1.578 -1.675 1.00 0.36 H new ATOM 0 HB3 ALA B 156 -20.289 -1.012 -2.137 1.00 0.36 H new ATOM 1788 N PRO B 157 -21.524 -4.312 -2.705 1.00 0.53 N ATOM 1789 CA PRO B 157 -22.849 -4.899 -2.918 1.00 0.68 C ATOM 1790 C PRO B 157 -23.970 -3.975 -2.470 1.00 0.79 C ATOM 1791 O PRO B 157 -24.237 -2.947 -3.097 1.00 0.89 O ATOM 1792 CB PRO B 157 -22.826 -6.154 -2.046 1.00 0.81 C ATOM 1793 CG PRO B 157 -21.855 -5.846 -0.961 1.00 0.70 C ATOM 1794 CD PRO B 157 -20.818 -4.944 -1.571 1.00 0.48 C ATOM 0 HA PRO B 157 -23.039 -5.095 -3.973 1.00 0.68 H new ATOM 0 HB2 PRO B 157 -23.814 -6.373 -1.642 1.00 0.81 H new ATOM 0 HB3 PRO B 157 -22.515 -7.028 -2.619 1.00 0.81 H new ATOM 0 HG2 PRO B 157 -22.351 -5.358 -0.122 1.00 0.70 H new ATOM 0 HG3 PRO B 157 -21.400 -6.758 -0.575 1.00 0.70 H new ATOM 0 HD2 PRO B 157 -20.464 -4.201 -0.856 1.00 0.48 H new ATOM 0 HD3 PRO B 157 -19.946 -5.506 -1.906 1.00 0.48 H new ATOM 1802 N LYS B 158 -24.622 -4.360 -1.381 1.00 0.96 N ATOM 1803 CA LYS B 158 -25.725 -3.592 -0.819 1.00 1.17 C ATOM 1804 C LYS B 158 -25.391 -2.106 -0.718 1.00 1.23 C ATOM 1805 O LYS B 158 -24.708 -1.712 0.249 1.00 1.76 O ATOM 1806 CB LYS B 158 -26.124 -4.147 0.546 1.00 1.46 C ATOM 1807 CG LYS B 158 -24.996 -4.847 1.264 1.00 1.69 C ATOM 1808 CD LYS B 158 -24.137 -3.881 2.064 1.00 2.47 C ATOM 1809 CE LYS B 158 -23.158 -4.618 2.965 1.00 3.07 C ATOM 1810 NZ LYS B 158 -22.206 -5.457 2.184 1.00 3.60 N ATOM 1811 OXT LYS B 158 -25.821 -1.344 -1.611 1.00 1.64 O ATOM 0 H LYS B 158 -24.402 -5.211 -0.864 1.00 0.96 H new ATOM 0 HA LYS B 158 -26.571 -3.690 -1.499 1.00 1.17 H new ATOM 0 HB2 LYS B 158 -26.489 -3.330 1.169 1.00 1.46 H new ATOM 0 HB3 LYS B 158 -26.951 -4.845 0.418 1.00 1.46 H new ATOM 0 HG2 LYS B 158 -25.407 -5.604 1.932 1.00 1.69 H new ATOM 0 HG3 LYS B 158 -24.373 -5.368 0.537 1.00 1.69 H new ATOM 0 HD2 LYS B 158 -23.587 -3.232 1.383 1.00 2.47 H new ATOM 0 HD3 LYS B 158 -24.777 -3.239 2.669 1.00 2.47 H new ATOM 0 HE2 LYS B 158 -22.600 -3.896 3.562 1.00 3.07 H new ATOM 0 HE3 LYS B 158 -23.710 -5.249 3.662 1.00 3.07 H new ATOM 0 HZ1 LYS B 158 -21.601 -5.994 2.837 1.00 3.60 H new ATOM 0 HZ2 LYS B 158 -22.738 -6.118 1.582 1.00 3.60 H new ATOM 0 HZ3 LYS B 158 -21.614 -4.845 1.587 1.00 3.60 H new TER 1825 LYS B 158