USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 765 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 93 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.48) USER MOD Set 1.2: A 95 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 79 ASN : amide:sc= -0.167 K(o=-0.17,f=-4.2!) USER MOD Set 3.1: A 15 HIS : no HE2:sc= 0.097 X(o=0.2,f=0) USER MOD Set 3.2: A 28 SER OG : rot 119:sc= 0.0999 USER MOD Single : A 1 ASP N :NH3+ -143:sc= 1.17 (180deg=1.02) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 104:sc= 0.452 USER MOD Single : A 13 GLN : amide:sc= -0.128 X(o=-0.13,f=0.006) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0467 USER MOD Single : A 20 MET CE :methyl -140:sc= -0.0304 (180deg=-1.64) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -1.13! X(o=-1.1!,f=-0.99) USER MOD Single : A 36 SER OG : rot 180:sc= 0.043 USER MOD Single : A 42 ASN : amide:sc= 0.443 K(o=0.44,f=-3.3!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc=-0.00458 K(o=-0.0046,f=-2.4!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.507 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 68:sc= 1.29 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -0.581 K(o=-0.58,f=-2.2!) USER MOD Single : A 73 ASN : amide:sc= 0.991 K(o=0.99,f=-0.21) USER MOD Single : A 74 GLN : amide:sc= 0.214 X(o=0.21,f=-0.18) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 80 ASN : amide:sc= -0.322 X(o=-0.32,f=-0.049) USER MOD Single : A 82 ASN : amide:sc= -0.118 X(o=-0.12,f=0) USER MOD Single : A 83 TYR OH : rot 30:sc= 0.0278 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -1.31 K(o=-1.3,f=-8.4!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -164:sc= 0 (180deg=-0.255) USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc=-0.00801 X(o=-0.008,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -22.659 0.528 -9.045 1.00 6.98 N ATOM 2 CA ASP A 1 -21.663 1.014 -8.071 1.00 6.54 C ATOM 3 C ASP A 1 -22.373 1.470 -6.821 1.00 5.59 C ATOM 4 O ASP A 1 -22.387 0.780 -5.812 1.00 5.69 O ATOM 5 CB ASP A 1 -20.845 2.190 -8.622 1.00 7.27 C ATOM 6 CG ASP A 1 -20.149 1.881 -9.905 1.00 7.61 C ATOM 7 OD1 ASP A 1 -19.124 1.157 -9.889 1.00 7.83 O ATOM 8 OD2 ASP A 1 -20.611 2.355 -10.959 1.00 7.93 O ATOM 0 H1 ASP A 1 -22.273 -0.291 -9.557 1.00 6.98 H new ATOM 0 H2 ASP A 1 -23.526 0.246 -8.544 1.00 6.98 H new ATOM 0 H3 ASP A 1 -22.881 1.286 -9.722 1.00 6.98 H new ATOM 0 HA ASP A 1 -20.981 0.191 -7.859 1.00 6.54 H new ATOM 0 HB2 ASP A 1 -21.506 3.043 -8.773 1.00 7.27 H new ATOM 0 HB3 ASP A 1 -20.105 2.488 -7.879 1.00 7.27 H new ATOM 15 N ASP A 2 -23.027 2.608 -6.911 1.00 5.04 N ATOM 16 CA ASP A 2 -23.777 3.207 -5.798 1.00 4.46 C ATOM 17 C ASP A 2 -25.189 2.647 -5.764 1.00 3.67 C ATOM 18 O ASP A 2 -26.107 3.251 -5.229 1.00 3.69 O ATOM 19 CB ASP A 2 -23.823 4.738 -5.963 1.00 5.12 C ATOM 20 CG ASP A 2 -24.443 5.172 -7.283 1.00 5.72 C ATOM 21 OD1 ASP A 2 -25.550 5.741 -7.294 1.00 6.17 O ATOM 22 OD2 ASP A 2 -23.821 4.940 -8.338 1.00 6.07 O ATOM 0 H ASP A 2 -23.061 3.161 -7.767 1.00 5.04 H new ATOM 0 HA ASP A 2 -23.277 2.965 -4.860 1.00 4.46 H new ATOM 0 HB2 ASP A 2 -24.392 5.170 -5.140 1.00 5.12 H new ATOM 0 HB3 ASP A 2 -22.811 5.137 -5.894 1.00 5.12 H new ATOM 27 N ASP A 3 -25.332 1.473 -6.316 1.00 3.50 N ATOM 28 CA ASP A 3 -26.603 0.800 -6.432 1.00 3.44 C ATOM 29 C ASP A 3 -26.796 -0.151 -5.263 1.00 2.86 C ATOM 30 O ASP A 3 -27.895 -0.665 -5.035 1.00 3.35 O ATOM 31 CB ASP A 3 -26.656 0.021 -7.752 1.00 4.23 C ATOM 32 CG ASP A 3 -25.687 -1.137 -7.799 1.00 4.91 C ATOM 33 OD1 ASP A 3 -24.449 -0.903 -7.789 1.00 5.43 O ATOM 34 OD2 ASP A 3 -26.132 -2.292 -7.887 1.00 5.26 O ATOM 0 H ASP A 3 -24.553 0.944 -6.707 1.00 3.50 H new ATOM 0 HA ASP A 3 -27.402 1.541 -6.420 1.00 3.44 H new ATOM 0 HB2 ASP A 3 -27.668 -0.354 -7.905 1.00 4.23 H new ATOM 0 HB3 ASP A 3 -26.440 0.701 -8.576 1.00 4.23 H new ATOM 39 N ASP A 4 -25.732 -0.385 -4.528 1.00 2.36 N ATOM 40 CA ASP A 4 -25.784 -1.259 -3.371 1.00 2.24 C ATOM 41 C ASP A 4 -25.727 -0.405 -2.123 1.00 1.92 C ATOM 42 O ASP A 4 -25.003 0.607 -2.069 1.00 2.04 O ATOM 43 CB ASP A 4 -24.617 -2.251 -3.376 1.00 2.71 C ATOM 44 CG ASP A 4 -24.749 -3.320 -2.297 1.00 3.25 C ATOM 45 OD1 ASP A 4 -24.985 -4.497 -2.640 1.00 3.54 O ATOM 46 OD2 ASP A 4 -24.668 -3.012 -1.102 1.00 3.87 O ATOM 0 H ASP A 4 -24.813 0.019 -4.710 1.00 2.36 H new ATOM 0 HA ASP A 4 -26.710 -1.834 -3.398 1.00 2.24 H new ATOM 0 HB2 ASP A 4 -24.558 -2.732 -4.353 1.00 2.71 H new ATOM 0 HB3 ASP A 4 -23.683 -1.708 -3.231 1.00 2.71 H new ATOM 51 N ASP A 5 -26.517 -0.808 -1.152 1.00 1.78 N ATOM 52 CA ASP A 5 -26.716 -0.107 0.104 1.00 1.68 C ATOM 53 C ASP A 5 -25.465 0.007 0.961 1.00 1.53 C ATOM 54 O ASP A 5 -25.277 1.025 1.634 1.00 1.50 O ATOM 55 CB ASP A 5 -27.829 -0.783 0.908 1.00 1.90 C ATOM 56 CG ASP A 5 -28.098 -0.110 2.232 1.00 2.14 C ATOM 57 OD1 ASP A 5 -27.663 -0.628 3.291 1.00 2.55 O ATOM 58 OD2 ASP A 5 -28.765 0.951 2.250 1.00 2.43 O ATOM 0 H ASP A 5 -27.062 -1.668 -1.216 1.00 1.78 H new ATOM 0 HA ASP A 5 -26.995 0.912 -0.165 1.00 1.68 H new ATOM 0 HB2 ASP A 5 -28.745 -0.787 0.317 1.00 1.90 H new ATOM 0 HB3 ASP A 5 -27.560 -1.824 1.085 1.00 1.90 H new ATOM 63 N VAL A 6 -24.604 -0.994 0.949 1.00 1.54 N ATOM 64 CA VAL A 6 -23.466 -0.952 1.823 1.00 1.49 C ATOM 65 C VAL A 6 -22.339 -0.090 1.307 1.00 1.25 C ATOM 66 O VAL A 6 -21.595 -0.447 0.382 1.00 1.34 O ATOM 67 CB VAL A 6 -22.962 -2.329 2.302 1.00 1.77 C ATOM 68 CG1 VAL A 6 -23.955 -2.968 3.222 1.00 2.08 C ATOM 69 CG2 VAL A 6 -22.608 -3.262 1.166 1.00 1.94 C ATOM 0 H VAL A 6 -24.674 -1.822 0.357 1.00 1.54 H new ATOM 0 HA VAL A 6 -23.857 -0.463 2.715 1.00 1.49 H new ATOM 0 HB VAL A 6 -22.037 -2.144 2.849 1.00 1.77 H new ATOM 0 HG11 VAL A 6 -23.578 -3.938 3.547 1.00 2.08 H new ATOM 0 HG12 VAL A 6 -24.109 -2.329 4.091 1.00 2.08 H new ATOM 0 HG13 VAL A 6 -24.901 -3.103 2.699 1.00 2.08 H new ATOM 0 HG21 VAL A 6 -22.261 -4.213 1.571 1.00 1.94 H new ATOM 0 HG22 VAL A 6 -23.489 -3.431 0.546 1.00 1.94 H new ATOM 0 HG23 VAL A 6 -21.819 -2.815 0.561 1.00 1.94 H new ATOM 79 N SER A 7 -22.231 1.054 1.883 1.00 1.06 N ATOM 80 CA SER A 7 -21.204 1.954 1.550 1.00 0.91 C ATOM 81 C SER A 7 -20.217 1.994 2.691 1.00 0.81 C ATOM 82 O SER A 7 -20.435 2.659 3.706 1.00 0.91 O ATOM 83 CB SER A 7 -21.802 3.346 1.291 1.00 1.01 C ATOM 84 OG SER A 7 -20.794 4.321 1.016 1.00 1.58 O ATOM 0 H SER A 7 -22.866 1.389 2.608 1.00 1.06 H new ATOM 0 HA SER A 7 -20.692 1.633 0.643 1.00 0.91 H new ATOM 0 HB2 SER A 7 -22.493 3.292 0.450 1.00 1.01 H new ATOM 0 HB3 SER A 7 -22.381 3.659 2.160 1.00 1.01 H new ATOM 0 HG SER A 7 -21.216 5.191 0.856 1.00 1.58 H new ATOM 90 N PHE A 8 -19.161 1.252 2.549 1.00 0.75 N ATOM 91 CA PHE A 8 -18.096 1.292 3.498 1.00 0.70 C ATOM 92 C PHE A 8 -17.072 2.286 3.043 1.00 0.53 C ATOM 93 O PHE A 8 -16.650 2.283 1.867 1.00 0.54 O ATOM 94 CB PHE A 8 -17.464 -0.076 3.692 1.00 0.85 C ATOM 95 CG PHE A 8 -18.356 -1.076 4.351 1.00 0.77 C ATOM 96 CD1 PHE A 8 -19.238 -1.836 3.610 1.00 0.88 C ATOM 97 CD2 PHE A 8 -18.296 -1.270 5.715 1.00 1.01 C ATOM 98 CE1 PHE A 8 -20.042 -2.766 4.215 1.00 0.85 C ATOM 99 CE2 PHE A 8 -19.101 -2.197 6.323 1.00 1.19 C ATOM 100 CZ PHE A 8 -19.974 -2.946 5.568 1.00 0.96 C ATOM 0 H PHE A 8 -19.016 0.605 1.774 1.00 0.75 H new ATOM 0 HA PHE A 8 -18.501 1.596 4.463 1.00 0.70 H new ATOM 0 HB2 PHE A 8 -17.159 -0.464 2.720 1.00 0.85 H new ATOM 0 HB3 PHE A 8 -16.559 0.036 4.289 1.00 0.85 H new ATOM 0 HD1 PHE A 8 -19.295 -1.696 2.541 1.00 0.88 H new ATOM 0 HD2 PHE A 8 -17.609 -0.686 6.309 1.00 1.01 H new ATOM 0 HE1 PHE A 8 -20.728 -3.355 3.624 1.00 0.85 H new ATOM 0 HE2 PHE A 8 -19.050 -2.339 7.392 1.00 1.19 H new ATOM 0 HZ PHE A 8 -20.607 -3.678 6.046 1.00 0.96 H new ATOM 110 N CYS A 9 -16.704 3.131 3.941 1.00 0.49 N ATOM 111 CA CYS A 9 -15.744 4.167 3.705 1.00 0.44 C ATOM 112 C CYS A 9 -14.351 3.603 3.896 1.00 0.37 C ATOM 113 O CYS A 9 -14.193 2.516 4.458 1.00 0.40 O ATOM 114 CB CYS A 9 -16.028 5.296 4.672 1.00 0.62 C ATOM 115 SG CYS A 9 -17.743 5.922 4.520 1.00 1.32 S ATOM 0 H CYS A 9 -17.071 3.125 4.893 1.00 0.49 H new ATOM 0 HA CYS A 9 -15.811 4.550 2.687 1.00 0.44 H new ATOM 0 HB2 CYS A 9 -15.858 4.950 5.692 1.00 0.62 H new ATOM 0 HB3 CYS A 9 -15.328 6.112 4.491 1.00 0.62 H new ATOM 120 N ALA A 10 -13.354 4.341 3.471 1.00 0.35 N ATOM 121 CA ALA A 10 -12.014 3.830 3.445 1.00 0.35 C ATOM 122 C ALA A 10 -11.264 4.198 4.687 1.00 0.29 C ATOM 123 O ALA A 10 -11.238 5.355 5.082 1.00 0.34 O ATOM 124 CB ALA A 10 -11.263 4.363 2.227 1.00 0.45 C ATOM 0 H ALA A 10 -13.451 5.300 3.138 1.00 0.35 H new ATOM 0 HA ALA A 10 -12.081 2.744 3.388 1.00 0.35 H new ATOM 0 HB1 ALA A 10 -10.248 3.966 2.223 1.00 0.45 H new ATOM 0 HB2 ALA A 10 -11.778 4.053 1.318 1.00 0.45 H new ATOM 0 HB3 ALA A 10 -11.226 5.452 2.270 1.00 0.45 H new ATOM 130 N SER A 11 -10.703 3.215 5.320 1.00 0.27 N ATOM 131 CA SER A 11 -9.829 3.436 6.436 1.00 0.27 C ATOM 132 C SER A 11 -8.497 2.821 6.047 1.00 0.23 C ATOM 133 O SER A 11 -8.473 1.704 5.502 1.00 0.25 O ATOM 134 CB SER A 11 -10.370 2.741 7.680 1.00 0.37 C ATOM 135 OG SER A 11 -11.795 2.799 7.726 1.00 1.19 O ATOM 0 H SER A 11 -10.837 2.233 5.079 1.00 0.27 H new ATOM 0 HA SER A 11 -9.738 4.498 6.664 1.00 0.27 H new ATOM 0 HB2 SER A 11 -10.045 1.700 7.688 1.00 0.37 H new ATOM 0 HB3 SER A 11 -9.955 3.211 8.572 1.00 0.37 H new ATOM 0 HG SER A 11 -12.166 1.928 7.472 1.00 1.19 H new ATOM 141 N VAL A 12 -7.419 3.504 6.303 1.00 0.23 N ATOM 142 CA VAL A 12 -6.120 3.028 5.901 1.00 0.22 C ATOM 143 C VAL A 12 -5.271 2.734 7.113 1.00 0.24 C ATOM 144 O VAL A 12 -4.954 3.624 7.889 1.00 0.29 O ATOM 145 CB VAL A 12 -5.387 4.062 4.996 1.00 0.23 C ATOM 146 CG1 VAL A 12 -4.007 3.588 4.651 1.00 0.24 C ATOM 147 CG2 VAL A 12 -6.135 4.277 3.720 1.00 0.27 C ATOM 0 H VAL A 12 -7.411 4.399 6.792 1.00 0.23 H new ATOM 0 HA VAL A 12 -6.271 2.113 5.328 1.00 0.22 H new ATOM 0 HB VAL A 12 -5.330 4.995 5.557 1.00 0.23 H new ATOM 0 HG11 VAL A 12 -3.516 4.327 4.018 1.00 0.24 H new ATOM 0 HG12 VAL A 12 -3.430 3.452 5.566 1.00 0.24 H new ATOM 0 HG13 VAL A 12 -4.071 2.639 4.118 1.00 0.24 H new ATOM 0 HG21 VAL A 12 -5.604 5.003 3.105 1.00 0.27 H new ATOM 0 HG22 VAL A 12 -6.214 3.333 3.181 1.00 0.27 H new ATOM 0 HG23 VAL A 12 -7.134 4.652 3.943 1.00 0.27 H new ATOM 157 N GLN A 13 -4.947 1.485 7.287 1.00 0.24 N ATOM 158 CA GLN A 13 -4.066 1.066 8.332 1.00 0.29 C ATOM 159 C GLN A 13 -2.833 0.459 7.705 1.00 0.26 C ATOM 160 O GLN A 13 -2.931 -0.478 6.894 1.00 0.32 O ATOM 161 CB GLN A 13 -4.730 0.039 9.253 1.00 0.40 C ATOM 162 CG GLN A 13 -5.933 0.540 10.042 1.00 0.68 C ATOM 163 CD GLN A 13 -5.607 1.728 10.925 1.00 1.43 C ATOM 164 OE1 GLN A 13 -5.757 2.871 10.524 1.00 2.18 O ATOM 165 NE2 GLN A 13 -5.133 1.471 12.110 1.00 2.06 N ATOM 0 H GLN A 13 -5.291 0.724 6.701 1.00 0.24 H new ATOM 0 HA GLN A 13 -3.806 1.934 8.938 1.00 0.29 H new ATOM 0 HB2 GLN A 13 -5.043 -0.813 8.650 1.00 0.40 H new ATOM 0 HB3 GLN A 13 -3.983 -0.326 9.958 1.00 0.40 H new ATOM 0 HG2 GLN A 13 -6.727 0.817 9.348 1.00 0.68 H new ATOM 0 HG3 GLN A 13 -6.319 -0.271 10.660 1.00 0.68 H new ATOM 0 HE21 GLN A 13 -5.020 0.504 12.415 1.00 2.06 H new ATOM 0 HE22 GLN A 13 -4.875 2.236 12.733 1.00 2.06 H new ATOM 174 N LEU A 14 -1.698 0.980 8.041 1.00 0.28 N ATOM 175 CA LEU A 14 -0.454 0.475 7.534 1.00 0.25 C ATOM 176 C LEU A 14 0.243 -0.333 8.598 1.00 0.25 C ATOM 177 O LEU A 14 -0.032 -0.176 9.782 1.00 0.33 O ATOM 178 CB LEU A 14 0.413 1.606 6.980 1.00 0.24 C ATOM 179 CG LEU A 14 -0.074 2.181 5.645 1.00 0.24 C ATOM 180 CD1 LEU A 14 0.670 3.431 5.276 1.00 0.23 C ATOM 181 CD2 LEU A 14 0.129 1.164 4.565 1.00 0.25 C ATOM 0 H LEU A 14 -1.602 1.771 8.677 1.00 0.28 H new ATOM 0 HA LEU A 14 -0.650 -0.193 6.695 1.00 0.25 H new ATOM 0 HB2 LEU A 14 0.453 2.410 7.715 1.00 0.24 H new ATOM 0 HB3 LEU A 14 1.431 1.238 6.854 1.00 0.24 H new ATOM 0 HG LEU A 14 -1.130 2.427 5.752 1.00 0.24 H new ATOM 0 HD11 LEU A 14 0.297 3.809 4.324 1.00 0.23 H new ATOM 0 HD12 LEU A 14 0.521 4.185 6.049 1.00 0.23 H new ATOM 0 HD13 LEU A 14 1.733 3.209 5.186 1.00 0.23 H new ATOM 0 HD21 LEU A 14 -0.216 1.569 3.614 1.00 0.25 H new ATOM 0 HD22 LEU A 14 1.188 0.918 4.491 1.00 0.25 H new ATOM 0 HD23 LEU A 14 -0.437 0.263 4.802 1.00 0.25 H new ATOM 193 N HIS A 15 1.097 -1.232 8.189 1.00 0.21 N ATOM 194 CA HIS A 15 1.746 -2.138 9.115 1.00 0.24 C ATOM 195 C HIS A 15 3.220 -2.157 8.829 1.00 0.21 C ATOM 196 O HIS A 15 3.634 -2.056 7.679 1.00 0.22 O ATOM 197 CB HIS A 15 1.164 -3.569 8.981 1.00 0.34 C ATOM 198 CG HIS A 15 -0.306 -3.684 9.306 1.00 0.54 C ATOM 199 ND1 HIS A 15 -0.782 -4.140 10.514 1.00 0.92 N ATOM 200 CD2 HIS A 15 -1.409 -3.389 8.568 1.00 0.62 C ATOM 201 CE1 HIS A 15 -2.092 -4.118 10.508 1.00 1.03 C ATOM 202 NE2 HIS A 15 -2.499 -3.668 9.347 1.00 0.83 N ATOM 0 H HIS A 15 1.365 -1.362 7.213 1.00 0.21 H new ATOM 0 HA HIS A 15 1.570 -1.793 10.134 1.00 0.24 H new ATOM 0 HB2 HIS A 15 1.325 -3.918 7.961 1.00 0.34 H new ATOM 0 HB3 HIS A 15 1.721 -4.236 9.638 1.00 0.34 H new ATOM 0 HD1 HIS A 15 -0.203 -4.448 11.295 1.00 0.92 H new ATOM 0 HD2 HIS A 15 -1.422 -3.007 7.558 1.00 0.62 H new ATOM 0 HE1 HIS A 15 -2.730 -4.421 11.325 1.00 1.03 H new ATOM 211 N THR A 16 3.985 -2.248 9.896 1.00 0.26 N ATOM 212 CA THR A 16 5.433 -2.264 9.884 1.00 0.29 C ATOM 213 C THR A 16 5.960 -3.360 8.946 1.00 0.25 C ATOM 214 O THR A 16 5.453 -4.502 8.956 1.00 0.27 O ATOM 215 CB THR A 16 5.902 -2.551 11.317 1.00 0.38 C ATOM 216 OG1 THR A 16 5.155 -1.703 12.210 1.00 0.49 O ATOM 217 CG2 THR A 16 7.389 -2.257 11.480 1.00 0.47 C ATOM 0 H THR A 16 3.598 -2.316 10.837 1.00 0.26 H new ATOM 0 HA THR A 16 5.811 -1.306 9.527 1.00 0.29 H new ATOM 0 HB THR A 16 5.738 -3.605 11.542 1.00 0.38 H new ATOM 0 HG1 THR A 16 5.437 -1.871 13.133 1.00 0.49 H new ATOM 0 HG21 THR A 16 7.692 -2.470 12.505 1.00 0.47 H new ATOM 0 HG22 THR A 16 7.961 -2.883 10.795 1.00 0.47 H new ATOM 0 HG23 THR A 16 7.579 -1.207 11.256 1.00 0.47 H new ATOM 225 N ALA A 17 6.965 -3.004 8.155 1.00 0.28 N ATOM 226 CA ALA A 17 7.553 -3.894 7.177 1.00 0.30 C ATOM 227 C ALA A 17 8.163 -5.106 7.851 1.00 0.35 C ATOM 228 O ALA A 17 8.745 -5.003 8.940 1.00 0.40 O ATOM 229 CB ALA A 17 8.613 -3.155 6.376 1.00 0.37 C ATOM 0 H ALA A 17 7.395 -2.079 8.179 1.00 0.28 H new ATOM 0 HA ALA A 17 6.767 -4.235 6.504 1.00 0.30 H new ATOM 0 HB1 ALA A 17 9.051 -3.831 5.642 1.00 0.37 H new ATOM 0 HB2 ALA A 17 8.157 -2.308 5.863 1.00 0.37 H new ATOM 0 HB3 ALA A 17 9.392 -2.795 7.048 1.00 0.37 H new ATOM 235 N VAL A 18 8.043 -6.238 7.218 1.00 0.38 N ATOM 236 CA VAL A 18 8.574 -7.460 7.771 1.00 0.48 C ATOM 237 C VAL A 18 9.991 -7.672 7.279 1.00 0.56 C ATOM 238 O VAL A 18 10.308 -7.425 6.105 1.00 0.52 O ATOM 239 CB VAL A 18 7.685 -8.699 7.470 1.00 0.54 C ATOM 240 CG1 VAL A 18 6.348 -8.572 8.173 1.00 0.57 C ATOM 241 CG2 VAL A 18 7.469 -8.873 5.979 1.00 0.52 C ATOM 0 H VAL A 18 7.581 -6.345 6.315 1.00 0.38 H new ATOM 0 HA VAL A 18 8.580 -7.352 8.856 1.00 0.48 H new ATOM 0 HB VAL A 18 8.206 -9.580 7.845 1.00 0.54 H new ATOM 0 HG11 VAL A 18 5.737 -9.447 7.953 1.00 0.57 H new ATOM 0 HG12 VAL A 18 6.508 -8.503 9.249 1.00 0.57 H new ATOM 0 HG13 VAL A 18 5.837 -7.675 7.823 1.00 0.57 H new ATOM 0 HG21 VAL A 18 6.844 -9.748 5.802 1.00 0.52 H new ATOM 0 HG22 VAL A 18 6.977 -7.987 5.577 1.00 0.52 H new ATOM 0 HG23 VAL A 18 8.431 -9.009 5.485 1.00 0.52 H new ATOM 251 N GLU A 19 10.826 -8.114 8.175 1.00 0.72 N ATOM 252 CA GLU A 19 12.228 -8.210 7.938 1.00 0.84 C ATOM 253 C GLU A 19 12.604 -9.538 7.306 1.00 0.84 C ATOM 254 O GLU A 19 12.475 -10.615 7.920 1.00 0.96 O ATOM 255 CB GLU A 19 12.979 -7.977 9.236 1.00 1.06 C ATOM 256 CG GLU A 19 14.481 -7.937 9.099 1.00 1.72 C ATOM 257 CD GLU A 19 15.139 -7.660 10.409 1.00 2.02 C ATOM 258 OE1 GLU A 19 15.614 -8.597 11.049 1.00 2.52 O ATOM 259 OE2 GLU A 19 15.163 -6.481 10.843 1.00 2.38 O ATOM 0 H GLU A 19 10.542 -8.422 9.105 1.00 0.72 H new ATOM 0 HA GLU A 19 12.513 -7.438 7.223 1.00 0.84 H new ATOM 0 HB2 GLU A 19 12.643 -7.036 9.670 1.00 1.06 H new ATOM 0 HB3 GLU A 19 12.713 -8.766 9.940 1.00 1.06 H new ATOM 0 HG2 GLU A 19 14.838 -8.889 8.705 1.00 1.72 H new ATOM 0 HG3 GLU A 19 14.762 -7.168 8.379 1.00 1.72 H new ATOM 266 N MET A 20 13.048 -9.430 6.089 1.00 0.79 N ATOM 267 CA MET A 20 13.511 -10.497 5.248 1.00 0.84 C ATOM 268 C MET A 20 14.134 -9.816 4.051 1.00 0.81 C ATOM 269 O MET A 20 14.174 -8.584 4.050 1.00 0.84 O ATOM 270 CB MET A 20 12.367 -11.460 4.846 1.00 0.88 C ATOM 271 CG MET A 20 11.170 -10.797 4.190 1.00 0.88 C ATOM 272 SD MET A 20 9.846 -11.969 3.821 1.00 0.88 S ATOM 273 CE MET A 20 8.614 -10.879 3.103 1.00 0.58 C ATOM 0 H MET A 20 13.100 -8.525 5.622 1.00 0.79 H new ATOM 0 HA MET A 20 14.231 -11.132 5.765 1.00 0.84 H new ATOM 0 HB2 MET A 20 12.767 -12.210 4.164 1.00 0.88 H new ATOM 0 HB3 MET A 20 12.027 -11.988 5.737 1.00 0.88 H new ATOM 0 HG2 MET A 20 10.787 -10.016 4.846 1.00 0.88 H new ATOM 0 HG3 MET A 20 11.488 -10.311 3.268 1.00 0.88 H new ATOM 0 HE1 MET A 20 7.623 -11.168 3.454 1.00 0.58 H new ATOM 0 HE2 MET A 20 8.819 -9.851 3.402 1.00 0.58 H new ATOM 0 HE3 MET A 20 8.650 -10.955 2.016 1.00 0.58 H new ATOM 283 N HIS A 21 14.619 -10.534 3.058 1.00 0.92 N ATOM 284 CA HIS A 21 15.268 -9.847 1.929 1.00 1.01 C ATOM 285 C HIS A 21 14.322 -9.008 1.102 1.00 0.82 C ATOM 286 O HIS A 21 14.686 -7.926 0.647 1.00 0.95 O ATOM 287 CB HIS A 21 16.132 -10.757 1.060 1.00 1.24 C ATOM 288 CG HIS A 21 17.457 -11.034 1.677 1.00 1.65 C ATOM 289 ND1 HIS A 21 18.506 -10.149 1.613 1.00 2.31 N ATOM 290 CD2 HIS A 21 17.894 -12.072 2.405 1.00 2.19 C ATOM 291 CE1 HIS A 21 19.521 -10.628 2.273 1.00 2.75 C ATOM 292 NE2 HIS A 21 19.179 -11.794 2.765 1.00 2.66 N ATOM 0 H HIS A 21 14.586 -11.552 2.996 1.00 0.92 H new ATOM 0 HA HIS A 21 15.955 -9.151 2.409 1.00 1.01 H new ATOM 0 HB2 HIS A 21 15.609 -11.698 0.891 1.00 1.24 H new ATOM 0 HB3 HIS A 21 16.278 -10.293 0.084 1.00 1.24 H new ATOM 0 HD2 HIS A 21 17.334 -12.960 2.658 1.00 2.19 H new ATOM 0 HE1 HIS A 21 20.480 -10.147 2.394 1.00 2.75 H new ATOM 0 HE2 HIS A 21 19.779 -12.397 3.328 1.00 2.66 H new ATOM 301 N HIS A 22 13.131 -9.493 0.900 1.00 0.67 N ATOM 302 CA HIS A 22 12.114 -8.722 0.224 1.00 0.59 C ATOM 303 C HIS A 22 11.289 -8.024 1.252 1.00 0.49 C ATOM 304 O HIS A 22 10.616 -8.662 2.044 1.00 0.57 O ATOM 305 CB HIS A 22 11.225 -9.586 -0.679 1.00 0.76 C ATOM 306 CG HIS A 22 11.845 -9.961 -1.992 1.00 1.13 C ATOM 307 ND1 HIS A 22 11.102 -10.314 -3.096 1.00 1.52 N ATOM 308 CD2 HIS A 22 13.140 -10.033 -2.381 1.00 2.11 C ATOM 309 CE1 HIS A 22 11.910 -10.577 -4.095 1.00 2.06 C ATOM 310 NE2 HIS A 22 13.146 -10.415 -3.689 1.00 2.46 N ATOM 0 H HIS A 22 12.834 -10.424 1.194 1.00 0.67 H new ATOM 0 HA HIS A 22 12.606 -8.000 -0.428 1.00 0.59 H new ATOM 0 HB2 HIS A 22 10.962 -10.498 -0.143 1.00 0.76 H new ATOM 0 HB3 HIS A 22 10.295 -9.050 -0.871 1.00 0.76 H new ATOM 0 HD2 HIS A 22 14.006 -9.826 -1.769 1.00 2.11 H new ATOM 0 HE1 HIS A 22 11.607 -10.877 -5.087 1.00 2.06 H new ATOM 0 HE2 HIS A 22 13.979 -10.553 -4.261 1.00 2.46 H new ATOM 319 N TRP A 23 11.335 -6.734 1.248 1.00 0.41 N ATOM 320 CA TRP A 23 10.633 -5.979 2.237 1.00 0.36 C ATOM 321 C TRP A 23 9.186 -5.835 1.842 1.00 0.32 C ATOM 322 O TRP A 23 8.854 -5.290 0.779 1.00 0.44 O ATOM 323 CB TRP A 23 11.293 -4.622 2.452 1.00 0.43 C ATOM 324 CG TRP A 23 12.669 -4.713 3.036 1.00 0.47 C ATOM 325 CD1 TRP A 23 13.845 -4.785 2.353 1.00 0.52 C ATOM 326 CD2 TRP A 23 13.013 -4.741 4.431 1.00 0.56 C ATOM 327 NE1 TRP A 23 14.896 -4.864 3.230 1.00 0.57 N ATOM 328 CE2 TRP A 23 14.412 -4.836 4.511 1.00 0.60 C ATOM 329 CE3 TRP A 23 12.272 -4.696 5.617 1.00 0.70 C ATOM 330 CZ2 TRP A 23 15.090 -4.886 5.729 1.00 0.73 C ATOM 331 CZ3 TRP A 23 12.942 -4.745 6.822 1.00 0.85 C ATOM 332 CH2 TRP A 23 14.338 -4.839 6.871 1.00 0.86 C ATOM 0 H TRP A 23 11.853 -6.176 0.569 1.00 0.41 H new ATOM 0 HA TRP A 23 10.675 -6.513 3.186 1.00 0.36 H new ATOM 0 HB2 TRP A 23 11.346 -4.097 1.498 1.00 0.43 H new ATOM 0 HB3 TRP A 23 10.666 -4.022 3.112 1.00 0.43 H new ATOM 0 HD1 TRP A 23 13.936 -4.781 1.277 1.00 0.52 H new ATOM 0 HE1 TRP A 23 15.880 -4.933 2.970 1.00 0.57 H new ATOM 0 HE3 TRP A 23 11.195 -4.624 5.590 1.00 0.70 H new ATOM 0 HZ2 TRP A 23 16.167 -4.959 5.769 1.00 0.73 H new ATOM 0 HZ3 TRP A 23 12.380 -4.710 7.744 1.00 0.85 H new ATOM 0 HH2 TRP A 23 14.832 -4.875 7.831 1.00 0.86 H new ATOM 343 N CYS A 24 8.346 -6.377 2.663 1.00 0.27 N ATOM 344 CA CYS A 24 6.937 -6.370 2.439 1.00 0.25 C ATOM 345 C CYS A 24 6.275 -5.469 3.453 1.00 0.23 C ATOM 346 O CYS A 24 6.473 -5.638 4.670 1.00 0.25 O ATOM 347 CB CYS A 24 6.384 -7.806 2.545 1.00 0.28 C ATOM 348 SG CYS A 24 4.576 -7.971 2.325 1.00 0.30 S ATOM 0 H CYS A 24 8.626 -6.846 3.525 1.00 0.27 H new ATOM 0 HA CYS A 24 6.725 -5.992 1.439 1.00 0.25 H new ATOM 0 HB2 CYS A 24 6.881 -8.424 1.798 1.00 0.28 H new ATOM 0 HB3 CYS A 24 6.652 -8.209 3.522 1.00 0.28 H new ATOM 353 N ILE A 25 5.559 -4.484 2.961 1.00 0.20 N ATOM 354 CA ILE A 25 4.800 -3.584 3.798 1.00 0.19 C ATOM 355 C ILE A 25 3.314 -3.919 3.644 1.00 0.18 C ATOM 356 O ILE A 25 2.698 -3.570 2.627 1.00 0.18 O ATOM 357 CB ILE A 25 5.020 -2.103 3.391 1.00 0.21 C ATOM 358 CG1 ILE A 25 6.510 -1.737 3.461 1.00 0.25 C ATOM 359 CG2 ILE A 25 4.196 -1.179 4.287 1.00 0.22 C ATOM 360 CD1 ILE A 25 6.821 -0.318 3.022 1.00 0.30 C ATOM 0 H ILE A 25 5.487 -4.284 1.963 1.00 0.20 H new ATOM 0 HA ILE A 25 5.132 -3.707 4.829 1.00 0.19 H new ATOM 0 HB ILE A 25 4.687 -1.974 2.361 1.00 0.21 H new ATOM 0 HG12 ILE A 25 6.859 -1.874 4.485 1.00 0.25 H new ATOM 0 HG13 ILE A 25 7.073 -2.431 2.837 1.00 0.25 H new ATOM 0 HG21 ILE A 25 4.360 -0.143 3.990 1.00 0.22 H new ATOM 0 HG22 ILE A 25 3.138 -1.422 4.186 1.00 0.22 H new ATOM 0 HG23 ILE A 25 4.501 -1.312 5.325 1.00 0.22 H new ATOM 0 HD11 ILE A 25 7.893 -0.139 3.101 1.00 0.30 H new ATOM 0 HD12 ILE A 25 6.505 -0.180 1.988 1.00 0.30 H new ATOM 0 HD13 ILE A 25 6.288 0.386 3.661 1.00 0.30 H new ATOM 372 N PRO A 26 2.730 -4.627 4.606 1.00 0.20 N ATOM 373 CA PRO A 26 1.325 -5.006 4.553 1.00 0.21 C ATOM 374 C PRO A 26 0.402 -3.821 4.848 1.00 0.21 C ATOM 375 O PRO A 26 0.609 -3.075 5.824 1.00 0.23 O ATOM 376 CB PRO A 26 1.186 -6.068 5.660 1.00 0.25 C ATOM 377 CG PRO A 26 2.576 -6.343 6.139 1.00 0.28 C ATOM 378 CD PRO A 26 3.376 -5.121 5.825 1.00 0.24 C ATOM 0 HA PRO A 26 1.042 -5.366 3.564 1.00 0.21 H new ATOM 0 HB2 PRO A 26 0.557 -5.705 6.473 1.00 0.25 H new ATOM 0 HB3 PRO A 26 0.719 -6.975 5.276 1.00 0.25 H new ATOM 0 HG2 PRO A 26 2.585 -6.549 7.209 1.00 0.28 H new ATOM 0 HG3 PRO A 26 2.993 -7.219 5.642 1.00 0.28 H new ATOM 0 HD2 PRO A 26 3.334 -4.390 6.632 1.00 0.24 H new ATOM 0 HD3 PRO A 26 4.428 -5.355 5.661 1.00 0.24 H new ATOM 386 N PHE A 27 -0.596 -3.635 4.029 1.00 0.23 N ATOM 387 CA PHE A 27 -1.544 -2.578 4.256 1.00 0.25 C ATOM 388 C PHE A 27 -2.937 -3.138 4.357 1.00 0.25 C ATOM 389 O PHE A 27 -3.222 -4.241 3.865 1.00 0.30 O ATOM 390 CB PHE A 27 -1.464 -1.460 3.192 1.00 0.27 C ATOM 391 CG PHE A 27 -1.792 -1.851 1.781 1.00 0.28 C ATOM 392 CD1 PHE A 27 -3.104 -1.831 1.326 1.00 0.29 C ATOM 393 CD2 PHE A 27 -0.792 -2.216 0.910 1.00 0.32 C ATOM 394 CE1 PHE A 27 -3.403 -2.176 0.032 1.00 0.34 C ATOM 395 CE2 PHE A 27 -1.085 -2.562 -0.387 1.00 0.36 C ATOM 396 CZ PHE A 27 -2.393 -2.544 -0.828 1.00 0.37 C ATOM 0 H PHE A 27 -0.774 -4.200 3.199 1.00 0.23 H new ATOM 0 HA PHE A 27 -1.282 -2.110 5.205 1.00 0.25 H new ATOM 0 HB2 PHE A 27 -2.140 -0.658 3.489 1.00 0.27 H new ATOM 0 HB3 PHE A 27 -0.455 -1.048 3.206 1.00 0.27 H new ATOM 0 HD1 PHE A 27 -3.898 -1.541 1.998 1.00 0.29 H new ATOM 0 HD2 PHE A 27 0.233 -2.231 1.249 1.00 0.32 H new ATOM 0 HE1 PHE A 27 -4.427 -2.159 -0.311 1.00 0.34 H new ATOM 0 HE2 PHE A 27 -0.292 -2.848 -1.062 1.00 0.36 H new ATOM 0 HZ PHE A 27 -2.624 -2.818 -1.847 1.00 0.37 H new ATOM 406 N SER A 28 -3.784 -2.426 5.026 1.00 0.25 N ATOM 407 CA SER A 28 -5.142 -2.812 5.175 1.00 0.28 C ATOM 408 C SER A 28 -6.043 -1.590 4.980 1.00 0.24 C ATOM 409 O SER A 28 -6.054 -0.667 5.804 1.00 0.27 O ATOM 410 CB SER A 28 -5.334 -3.442 6.556 1.00 0.41 C ATOM 411 OG SER A 28 -4.419 -4.532 6.732 1.00 0.88 O ATOM 0 H SER A 28 -3.545 -1.549 5.489 1.00 0.25 H new ATOM 0 HA SER A 28 -5.414 -3.552 4.422 1.00 0.28 H new ATOM 0 HB2 SER A 28 -5.173 -2.693 7.331 1.00 0.41 H new ATOM 0 HB3 SER A 28 -6.359 -3.797 6.663 1.00 0.41 H new ATOM 0 HG SER A 28 -3.823 -4.341 7.486 1.00 0.88 H new ATOM 417 N VAL A 29 -6.725 -1.560 3.863 1.00 0.23 N ATOM 418 CA VAL A 29 -7.656 -0.497 3.548 1.00 0.21 C ATOM 419 C VAL A 29 -9.048 -1.100 3.360 1.00 0.21 C ATOM 420 O VAL A 29 -9.231 -1.991 2.540 1.00 0.27 O ATOM 421 CB VAL A 29 -7.210 0.330 2.278 1.00 0.22 C ATOM 422 CG1 VAL A 29 -6.931 -0.578 1.104 1.00 0.25 C ATOM 423 CG2 VAL A 29 -8.288 1.327 1.894 1.00 0.26 C ATOM 0 H VAL A 29 -6.652 -2.275 3.140 1.00 0.23 H new ATOM 0 HA VAL A 29 -7.673 0.210 4.377 1.00 0.21 H new ATOM 0 HB VAL A 29 -6.293 0.861 2.535 1.00 0.22 H new ATOM 0 HG11 VAL A 29 -6.626 0.021 0.245 1.00 0.25 H new ATOM 0 HG12 VAL A 29 -6.133 -1.273 1.363 1.00 0.25 H new ATOM 0 HG13 VAL A 29 -7.832 -1.138 0.855 1.00 0.25 H new ATOM 0 HG21 VAL A 29 -7.967 1.890 1.017 1.00 0.26 H new ATOM 0 HG22 VAL A 29 -9.211 0.795 1.666 1.00 0.26 H new ATOM 0 HG23 VAL A 29 -8.461 2.013 2.723 1.00 0.26 H new ATOM 433 N ASP A 30 -10.004 -0.669 4.128 1.00 0.27 N ATOM 434 CA ASP A 30 -11.338 -1.245 4.011 1.00 0.35 C ATOM 435 C ASP A 30 -12.261 -0.306 3.307 1.00 0.37 C ATOM 436 O ASP A 30 -11.953 0.875 3.161 1.00 0.48 O ATOM 437 CB ASP A 30 -11.928 -1.686 5.364 1.00 0.51 C ATOM 438 CG ASP A 30 -12.374 -0.557 6.257 1.00 0.80 C ATOM 439 OD1 ASP A 30 -11.503 0.104 6.864 1.00 1.39 O ATOM 440 OD2 ASP A 30 -13.600 -0.366 6.436 1.00 1.30 O ATOM 0 H ASP A 30 -9.904 0.063 4.832 1.00 0.27 H new ATOM 0 HA ASP A 30 -11.232 -2.150 3.413 1.00 0.35 H new ATOM 0 HB2 ASP A 30 -12.779 -2.341 5.177 1.00 0.51 H new ATOM 0 HB3 ASP A 30 -11.182 -2.277 5.895 1.00 0.51 H new ATOM 445 N GLY A 31 -13.342 -0.846 2.813 1.00 0.37 N ATOM 446 CA GLY A 31 -14.327 -0.071 2.130 1.00 0.42 C ATOM 447 C GLY A 31 -15.017 -0.904 1.084 1.00 0.46 C ATOM 448 O GLY A 31 -14.699 -2.083 0.922 1.00 0.60 O ATOM 0 H GLY A 31 -13.560 -1.840 2.876 1.00 0.37 H new ATOM 0 HA2 GLY A 31 -15.059 0.308 2.843 1.00 0.42 H new ATOM 0 HA3 GLY A 31 -13.858 0.795 1.663 1.00 0.42 H new ATOM 452 N GLN A 32 -15.977 -0.336 0.403 1.00 0.55 N ATOM 453 CA GLN A 32 -16.617 -1.042 -0.696 1.00 0.64 C ATOM 454 C GLN A 32 -16.272 -0.459 -2.036 1.00 0.61 C ATOM 455 O GLN A 32 -15.800 -1.198 -2.904 1.00 0.68 O ATOM 456 CB GLN A 32 -18.103 -1.342 -0.494 1.00 0.76 C ATOM 457 CG GLN A 32 -18.331 -2.560 0.384 1.00 0.99 C ATOM 458 CD GLN A 32 -17.781 -3.839 -0.243 1.00 1.82 C ATOM 459 OE1 GLN A 32 -18.491 -4.546 -0.963 1.00 2.42 O ATOM 460 NE2 GLN A 32 -16.522 -4.130 -0.012 1.00 2.61 N ATOM 0 H GLN A 32 -16.336 0.602 0.580 1.00 0.55 H new ATOM 0 HA GLN A 32 -16.173 -2.038 -0.689 1.00 0.64 H new ATOM 0 HB2 GLN A 32 -18.588 -0.476 -0.043 1.00 0.76 H new ATOM 0 HB3 GLN A 32 -18.574 -1.503 -1.464 1.00 0.76 H new ATOM 0 HG2 GLN A 32 -17.857 -2.400 1.353 1.00 0.99 H new ATOM 0 HG3 GLN A 32 -19.399 -2.678 0.567 1.00 0.99 H new ATOM 0 HE21 GLN A 32 -15.961 -3.526 0.588 1.00 2.61 H new ATOM 0 HE22 GLN A 32 -16.105 -4.960 -0.433 1.00 2.61 H new ATOM 469 N PRO A 33 -16.485 0.859 -2.276 1.00 0.59 N ATOM 470 CA PRO A 33 -15.936 1.464 -3.461 1.00 0.62 C ATOM 471 C PRO A 33 -14.431 1.485 -3.256 1.00 0.53 C ATOM 472 O PRO A 33 -13.945 2.081 -2.272 1.00 0.44 O ATOM 473 CB PRO A 33 -16.504 2.899 -3.454 1.00 0.67 C ATOM 474 CG PRO A 33 -17.638 2.863 -2.485 1.00 0.78 C ATOM 475 CD PRO A 33 -17.271 1.821 -1.478 1.00 0.63 C ATOM 0 HA PRO A 33 -16.170 0.956 -4.396 1.00 0.62 H new ATOM 0 HB2 PRO A 33 -15.747 3.621 -3.148 1.00 0.67 H new ATOM 0 HB3 PRO A 33 -16.843 3.194 -4.447 1.00 0.67 H new ATOM 0 HG2 PRO A 33 -17.780 3.834 -2.011 1.00 0.78 H new ATOM 0 HG3 PRO A 33 -18.574 2.613 -2.985 1.00 0.78 H new ATOM 0 HD2 PRO A 33 -16.687 2.239 -0.658 1.00 0.63 H new ATOM 0 HD3 PRO A 33 -18.153 1.356 -1.037 1.00 0.63 H new ATOM 483 N ALA A 34 -13.713 0.811 -4.135 1.00 0.62 N ATOM 484 CA ALA A 34 -12.281 0.641 -4.019 1.00 0.60 C ATOM 485 C ALA A 34 -11.575 1.976 -4.102 1.00 0.52 C ATOM 486 O ALA A 34 -11.534 2.594 -5.166 1.00 0.63 O ATOM 487 CB ALA A 34 -11.775 -0.310 -5.096 1.00 0.78 C ATOM 0 H ALA A 34 -14.115 0.362 -4.958 1.00 0.62 H new ATOM 0 HA ALA A 34 -12.060 0.206 -3.044 1.00 0.60 H new ATOM 0 HB1 ALA A 34 -10.696 -0.430 -4.998 1.00 0.78 H new ATOM 0 HB2 ALA A 34 -12.259 -1.280 -4.982 1.00 0.78 H new ATOM 0 HB3 ALA A 34 -12.007 0.098 -6.080 1.00 0.78 H new ATOM 493 N PRO A 35 -11.013 2.457 -2.986 1.00 0.39 N ATOM 494 CA PRO A 35 -10.367 3.748 -2.959 1.00 0.35 C ATOM 495 C PRO A 35 -9.047 3.714 -3.700 1.00 0.41 C ATOM 496 O PRO A 35 -8.257 2.768 -3.537 1.00 0.56 O ATOM 497 CB PRO A 35 -10.144 4.001 -1.474 1.00 0.29 C ATOM 498 CG PRO A 35 -10.009 2.647 -0.887 1.00 0.31 C ATOM 499 CD PRO A 35 -10.941 1.774 -1.669 1.00 0.37 C ATOM 0 HA PRO A 35 -10.958 4.525 -3.443 1.00 0.35 H new ATOM 0 HB2 PRO A 35 -9.249 4.600 -1.303 1.00 0.29 H new ATOM 0 HB3 PRO A 35 -10.980 4.544 -1.033 1.00 0.29 H new ATOM 0 HG2 PRO A 35 -8.982 2.289 -0.960 1.00 0.31 H new ATOM 0 HG3 PRO A 35 -10.271 2.651 0.171 1.00 0.31 H new ATOM 0 HD2 PRO A 35 -10.559 0.757 -1.762 1.00 0.37 H new ATOM 0 HD3 PRO A 35 -11.921 1.704 -1.196 1.00 0.37 H new ATOM 507 N SER A 36 -8.825 4.717 -4.507 1.00 0.39 N ATOM 508 CA SER A 36 -7.620 4.834 -5.273 1.00 0.44 C ATOM 509 C SER A 36 -6.424 5.017 -4.340 1.00 0.37 C ATOM 510 O SER A 36 -6.285 6.051 -3.670 1.00 0.41 O ATOM 511 CB SER A 36 -7.777 5.978 -6.282 1.00 0.57 C ATOM 512 OG SER A 36 -8.419 7.109 -5.677 1.00 1.37 O ATOM 0 H SER A 36 -9.484 5.482 -4.650 1.00 0.39 H new ATOM 0 HA SER A 36 -7.433 3.922 -5.840 1.00 0.44 H new ATOM 0 HB2 SER A 36 -6.798 6.270 -6.662 1.00 0.57 H new ATOM 0 HB3 SER A 36 -8.361 5.637 -7.137 1.00 0.57 H new ATOM 0 HG SER A 36 -8.507 7.827 -6.338 1.00 1.37 H new ATOM 518 N LEU A 37 -5.619 3.989 -4.255 1.00 0.33 N ATOM 519 CA LEU A 37 -4.487 3.968 -3.371 1.00 0.30 C ATOM 520 C LEU A 37 -3.292 4.611 -4.040 1.00 0.32 C ATOM 521 O LEU A 37 -2.930 4.251 -5.156 1.00 0.50 O ATOM 522 CB LEU A 37 -4.154 2.520 -2.986 1.00 0.32 C ATOM 523 CG LEU A 37 -5.252 1.727 -2.260 1.00 0.32 C ATOM 524 CD1 LEU A 37 -4.816 0.300 -2.066 1.00 0.43 C ATOM 525 CD2 LEU A 37 -5.561 2.347 -0.914 1.00 0.27 C ATOM 0 H LEU A 37 -5.734 3.137 -4.803 1.00 0.33 H new ATOM 0 HA LEU A 37 -4.731 4.531 -2.470 1.00 0.30 H new ATOM 0 HB2 LEU A 37 -3.888 1.979 -3.894 1.00 0.32 H new ATOM 0 HB3 LEU A 37 -3.268 2.532 -2.352 1.00 0.32 H new ATOM 0 HG LEU A 37 -6.152 1.753 -2.874 1.00 0.32 H new ATOM 0 HD11 LEU A 37 -5.601 -0.253 -1.551 1.00 0.43 H new ATOM 0 HD12 LEU A 37 -4.627 -0.158 -3.037 1.00 0.43 H new ATOM 0 HD13 LEU A 37 -3.904 0.276 -1.470 1.00 0.43 H new ATOM 0 HD21 LEU A 37 -6.341 1.769 -0.418 1.00 0.27 H new ATOM 0 HD22 LEU A 37 -4.662 2.347 -0.298 1.00 0.27 H new ATOM 0 HD23 LEU A 37 -5.903 3.372 -1.056 1.00 0.27 H new ATOM 537 N ARG A 38 -2.717 5.573 -3.380 1.00 0.23 N ATOM 538 CA ARG A 38 -1.543 6.237 -3.870 1.00 0.23 C ATOM 539 C ARG A 38 -0.564 6.425 -2.751 1.00 0.22 C ATOM 540 O ARG A 38 -0.914 6.916 -1.685 1.00 0.26 O ATOM 541 CB ARG A 38 -1.902 7.575 -4.576 1.00 0.28 C ATOM 542 CG ARG A 38 -0.718 8.411 -5.148 1.00 0.33 C ATOM 543 CD ARG A 38 0.273 7.579 -5.973 1.00 1.28 C ATOM 544 NE ARG A 38 -0.388 6.464 -6.675 1.00 1.98 N ATOM 545 CZ ARG A 38 0.070 5.190 -6.785 1.00 3.10 C ATOM 546 NH1 ARG A 38 1.340 4.880 -6.509 1.00 3.72 N ATOM 547 NH2 ARG A 38 -0.742 4.251 -7.236 1.00 3.78 N ATOM 0 H ARG A 38 -3.051 5.922 -2.481 1.00 0.23 H new ATOM 0 HA ARG A 38 -1.070 5.612 -4.627 1.00 0.23 H new ATOM 0 HB2 ARG A 38 -2.587 7.353 -5.394 1.00 0.28 H new ATOM 0 HB3 ARG A 38 -2.445 8.198 -3.866 1.00 0.28 H new ATOM 0 HG2 ARG A 38 -1.116 9.212 -5.771 1.00 0.33 H new ATOM 0 HG3 ARG A 38 -0.185 8.884 -4.323 1.00 0.33 H new ATOM 0 HD2 ARG A 38 0.768 8.222 -6.701 1.00 1.28 H new ATOM 0 HD3 ARG A 38 1.049 7.185 -5.317 1.00 1.28 H new ATOM 0 HE ARG A 38 -1.280 6.670 -7.124 1.00 1.98 H new ATOM 0 HH11 ARG A 38 1.989 5.607 -6.208 1.00 3.72 H new ATOM 0 HH12 ARG A 38 1.661 3.916 -6.599 1.00 3.72 H new ATOM 0 HH21 ARG A 38 -1.700 4.487 -7.497 1.00 3.78 H new ATOM 0 HH22 ARG A 38 -0.412 3.290 -7.324 1.00 3.78 H new ATOM 561 N TRP A 39 0.638 5.985 -2.976 1.00 0.22 N ATOM 562 CA TRP A 39 1.674 6.112 -2.001 1.00 0.22 C ATOM 563 C TRP A 39 2.413 7.405 -2.210 1.00 0.20 C ATOM 564 O TRP A 39 2.748 7.775 -3.354 1.00 0.26 O ATOM 565 CB TRP A 39 2.677 4.976 -2.109 1.00 0.25 C ATOM 566 CG TRP A 39 2.128 3.612 -1.905 1.00 0.25 C ATOM 567 CD1 TRP A 39 1.622 2.790 -2.860 1.00 0.29 C ATOM 568 CD2 TRP A 39 2.061 2.891 -0.675 1.00 0.24 C ATOM 569 NE1 TRP A 39 1.241 1.606 -2.305 1.00 0.29 N ATOM 570 CE2 TRP A 39 1.496 1.636 -0.961 1.00 0.26 C ATOM 571 CE3 TRP A 39 2.424 3.185 0.643 1.00 0.25 C ATOM 572 CZ2 TRP A 39 1.285 0.672 0.020 1.00 0.26 C ATOM 573 CZ3 TRP A 39 2.216 2.230 1.616 1.00 0.26 C ATOM 574 CH2 TRP A 39 1.651 0.986 1.301 1.00 0.26 C ATOM 0 H TRP A 39 0.926 5.528 -3.841 1.00 0.22 H new ATOM 0 HA TRP A 39 1.204 6.087 -1.018 1.00 0.22 H new ATOM 0 HB2 TRP A 39 3.141 5.018 -3.095 1.00 0.25 H new ATOM 0 HB3 TRP A 39 3.468 5.143 -1.377 1.00 0.25 H new ATOM 0 HD1 TRP A 39 1.534 3.039 -3.907 1.00 0.29 H new ATOM 0 HE1 TRP A 39 0.831 0.821 -2.811 1.00 0.29 H new ATOM 0 HE3 TRP A 39 2.859 4.141 0.894 1.00 0.25 H new ATOM 0 HZ2 TRP A 39 0.849 -0.287 -0.220 1.00 0.26 H new ATOM 0 HZ3 TRP A 39 2.493 2.444 2.638 1.00 0.26 H new ATOM 0 HH2 TRP A 39 1.501 0.260 2.086 1.00 0.26 H new ATOM 585 N LEU A 40 2.643 8.089 -1.150 1.00 0.25 N ATOM 586 CA LEU A 40 3.432 9.263 -1.176 1.00 0.24 C ATOM 587 C LEU A 40 4.666 8.935 -0.376 1.00 0.27 C ATOM 588 O LEU A 40 4.565 8.468 0.763 1.00 0.34 O ATOM 589 CB LEU A 40 2.671 10.429 -0.545 1.00 0.31 C ATOM 590 CG LEU A 40 3.189 11.823 -0.860 1.00 0.49 C ATOM 591 CD1 LEU A 40 2.961 12.122 -2.325 1.00 0.66 C ATOM 592 CD2 LEU A 40 2.509 12.864 0.017 1.00 0.95 C ATOM 0 H LEU A 40 2.283 7.845 -0.227 1.00 0.25 H new ATOM 0 HA LEU A 40 3.682 9.564 -2.193 1.00 0.24 H new ATOM 0 HB2 LEU A 40 1.630 10.371 -0.864 1.00 0.31 H new ATOM 0 HB3 LEU A 40 2.680 10.297 0.537 1.00 0.31 H new ATOM 0 HG LEU A 40 4.258 11.863 -0.649 1.00 0.49 H new ATOM 0 HD11 LEU A 40 3.331 13.121 -2.554 1.00 0.66 H new ATOM 0 HD12 LEU A 40 3.492 11.390 -2.933 1.00 0.66 H new ATOM 0 HD13 LEU A 40 1.895 12.071 -2.545 1.00 0.66 H new ATOM 0 HD21 LEU A 40 2.896 13.854 -0.226 1.00 0.95 H new ATOM 0 HD22 LEU A 40 1.434 12.841 -0.159 1.00 0.95 H new ATOM 0 HD23 LEU A 40 2.710 12.644 1.065 1.00 0.95 H new ATOM 604 N PHE A 41 5.796 9.146 -0.944 1.00 0.28 N ATOM 605 CA PHE A 41 7.028 8.795 -0.321 1.00 0.35 C ATOM 606 C PHE A 41 7.869 10.032 -0.140 1.00 0.38 C ATOM 607 O PHE A 41 8.408 10.574 -1.109 1.00 0.41 O ATOM 608 CB PHE A 41 7.759 7.730 -1.158 1.00 0.45 C ATOM 609 CG PHE A 41 9.082 7.318 -0.592 1.00 0.58 C ATOM 610 CD1 PHE A 41 10.245 7.501 -1.316 1.00 0.75 C ATOM 611 CD2 PHE A 41 9.164 6.759 0.669 1.00 0.60 C ATOM 612 CE1 PHE A 41 11.460 7.130 -0.793 1.00 0.88 C ATOM 613 CE2 PHE A 41 10.373 6.388 1.195 1.00 0.74 C ATOM 614 CZ PHE A 41 11.520 6.570 0.468 1.00 0.86 C ATOM 0 H PHE A 41 5.898 9.572 -1.865 1.00 0.28 H new ATOM 0 HA PHE A 41 6.836 8.366 0.662 1.00 0.35 H new ATOM 0 HB2 PHE A 41 7.122 6.850 -1.245 1.00 0.45 H new ATOM 0 HB3 PHE A 41 7.910 8.115 -2.166 1.00 0.45 H new ATOM 0 HD1 PHE A 41 10.198 7.940 -2.302 1.00 0.75 H new ATOM 0 HD2 PHE A 41 8.264 6.613 1.247 1.00 0.60 H new ATOM 0 HE1 PHE A 41 12.364 7.276 -1.365 1.00 0.88 H new ATOM 0 HE2 PHE A 41 10.422 5.952 2.182 1.00 0.74 H new ATOM 0 HZ PHE A 41 12.473 6.275 0.882 1.00 0.86 H new ATOM 624 N ASN A 42 7.905 10.515 1.095 1.00 0.46 N ATOM 625 CA ASN A 42 8.689 11.699 1.493 1.00 0.57 C ATOM 626 C ASN A 42 8.220 12.936 0.739 1.00 0.53 C ATOM 627 O ASN A 42 9.017 13.812 0.400 1.00 0.69 O ATOM 628 CB ASN A 42 10.212 11.502 1.269 1.00 0.73 C ATOM 629 CG ASN A 42 10.823 10.355 2.056 1.00 1.12 C ATOM 630 OD1 ASN A 42 10.360 9.990 3.156 1.00 1.79 O ATOM 631 ND2 ASN A 42 11.869 9.785 1.516 1.00 1.72 N ATOM 0 H ASN A 42 7.386 10.096 1.867 1.00 0.46 H new ATOM 0 HA ASN A 42 8.522 11.837 2.561 1.00 0.57 H new ATOM 0 HB2 ASN A 42 10.391 11.333 0.207 1.00 0.73 H new ATOM 0 HB3 ASN A 42 10.728 12.424 1.536 1.00 0.73 H new ATOM 0 HD21 ASN A 42 12.335 9.015 1.996 1.00 1.72 H new ATOM 0 HD22 ASN A 42 12.219 10.111 0.615 1.00 1.72 H new ATOM 638 N GLY A 43 6.935 12.983 0.445 1.00 0.45 N ATOM 639 CA GLY A 43 6.374 14.106 -0.273 1.00 0.51 C ATOM 640 C GLY A 43 6.356 13.893 -1.782 1.00 0.47 C ATOM 641 O GLY A 43 5.677 14.616 -2.514 1.00 0.61 O ATOM 0 H GLY A 43 6.263 12.257 0.693 1.00 0.45 H new ATOM 0 HA2 GLY A 43 5.357 14.283 0.076 1.00 0.51 H new ATOM 0 HA3 GLY A 43 6.950 15.002 -0.044 1.00 0.51 H new ATOM 645 N SER A 44 7.080 12.918 -2.244 1.00 0.38 N ATOM 646 CA SER A 44 7.150 12.626 -3.650 1.00 0.40 C ATOM 647 C SER A 44 6.217 11.486 -3.967 1.00 0.33 C ATOM 648 O SER A 44 6.090 10.540 -3.197 1.00 0.28 O ATOM 649 CB SER A 44 8.588 12.285 -4.022 1.00 0.51 C ATOM 650 OG SER A 44 9.473 13.350 -3.654 1.00 1.37 O ATOM 0 H SER A 44 7.641 12.300 -1.658 1.00 0.38 H new ATOM 0 HA SER A 44 6.842 13.493 -4.234 1.00 0.40 H new ATOM 0 HB2 SER A 44 8.890 11.365 -3.521 1.00 0.51 H new ATOM 0 HB3 SER A 44 8.658 12.102 -5.094 1.00 0.51 H new ATOM 0 HG SER A 44 10.391 13.112 -3.899 1.00 1.37 H new ATOM 656 N VAL A 45 5.531 11.602 -5.061 1.00 0.41 N ATOM 657 CA VAL A 45 4.594 10.596 -5.468 1.00 0.41 C ATOM 658 C VAL A 45 5.319 9.344 -5.894 1.00 0.39 C ATOM 659 O VAL A 45 6.200 9.385 -6.757 1.00 0.45 O ATOM 660 CB VAL A 45 3.666 11.101 -6.597 1.00 0.55 C ATOM 661 CG1 VAL A 45 2.816 9.984 -7.141 1.00 0.68 C ATOM 662 CG2 VAL A 45 2.768 12.172 -6.071 1.00 0.70 C ATOM 0 H VAL A 45 5.603 12.395 -5.698 1.00 0.41 H new ATOM 0 HA VAL A 45 3.965 10.363 -4.609 1.00 0.41 H new ATOM 0 HB VAL A 45 4.294 11.491 -7.398 1.00 0.55 H new ATOM 0 HG11 VAL A 45 2.174 10.368 -7.933 1.00 0.68 H new ATOM 0 HG12 VAL A 45 3.458 9.200 -7.543 1.00 0.68 H new ATOM 0 HG13 VAL A 45 2.200 9.573 -6.341 1.00 0.68 H new ATOM 0 HG21 VAL A 45 2.116 12.525 -6.870 1.00 0.70 H new ATOM 0 HG22 VAL A 45 2.162 11.772 -5.258 1.00 0.70 H new ATOM 0 HG23 VAL A 45 3.370 13.002 -5.701 1.00 0.70 H new ATOM 672 N LEU A 46 4.981 8.249 -5.267 1.00 0.37 N ATOM 673 CA LEU A 46 5.558 7.000 -5.612 1.00 0.40 C ATOM 674 C LEU A 46 4.857 6.480 -6.833 1.00 0.44 C ATOM 675 O LEU A 46 3.632 6.320 -6.835 1.00 0.51 O ATOM 676 CB LEU A 46 5.421 5.997 -4.474 1.00 0.44 C ATOM 677 CG LEU A 46 6.018 4.609 -4.730 1.00 0.51 C ATOM 678 CD1 LEU A 46 7.527 4.711 -4.924 1.00 0.57 C ATOM 679 CD2 LEU A 46 5.700 3.673 -3.582 1.00 0.61 C ATOM 0 H LEU A 46 4.301 8.209 -4.508 1.00 0.37 H new ATOM 0 HA LEU A 46 6.622 7.137 -5.807 1.00 0.40 H new ATOM 0 HB2 LEU A 46 5.894 6.417 -3.586 1.00 0.44 H new ATOM 0 HB3 LEU A 46 4.362 5.879 -4.245 1.00 0.44 H new ATOM 0 HG LEU A 46 5.573 4.205 -5.639 1.00 0.51 H new ATOM 0 HD11 LEU A 46 7.939 3.718 -5.105 1.00 0.57 H new ATOM 0 HD12 LEU A 46 7.741 5.354 -5.778 1.00 0.57 H new ATOM 0 HD13 LEU A 46 7.981 5.134 -4.028 1.00 0.57 H new ATOM 0 HD21 LEU A 46 6.132 2.692 -3.782 1.00 0.61 H new ATOM 0 HD22 LEU A 46 6.120 4.073 -2.659 1.00 0.61 H new ATOM 0 HD23 LEU A 46 4.619 3.579 -3.478 1.00 0.61 H new ATOM 691 N ASN A 47 5.606 6.279 -7.860 1.00 0.54 N ATOM 692 CA ASN A 47 5.098 5.743 -9.083 1.00 0.59 C ATOM 693 C ASN A 47 5.460 4.268 -9.071 1.00 0.53 C ATOM 694 O ASN A 47 6.626 3.918 -8.798 1.00 0.64 O ATOM 695 CB ASN A 47 5.767 6.466 -10.274 1.00 0.79 C ATOM 696 CG ASN A 47 5.100 6.210 -11.617 1.00 1.54 C ATOM 697 OD1 ASN A 47 4.513 5.161 -11.860 1.00 2.47 O ATOM 698 ND2 ASN A 47 5.187 7.173 -12.498 1.00 1.94 N ATOM 0 H ASN A 47 6.605 6.484 -7.879 1.00 0.54 H new ATOM 0 HA ASN A 47 4.021 5.877 -9.181 1.00 0.59 H new ATOM 0 HB2 ASN A 47 5.766 7.539 -10.080 1.00 0.79 H new ATOM 0 HB3 ASN A 47 6.810 6.154 -10.334 1.00 0.79 H new ATOM 0 HD21 ASN A 47 4.760 7.063 -13.418 1.00 1.94 H new ATOM 0 HD22 ASN A 47 5.682 8.034 -12.265 1.00 1.94 H new ATOM 705 N GLU A 48 4.468 3.416 -9.288 1.00 0.49 N ATOM 706 CA GLU A 48 4.642 1.967 -9.263 1.00 0.53 C ATOM 707 C GLU A 48 5.696 1.554 -10.282 1.00 0.53 C ATOM 708 O GLU A 48 5.611 1.910 -11.458 1.00 0.70 O ATOM 709 CB GLU A 48 3.330 1.284 -9.609 1.00 0.69 C ATOM 710 CG GLU A 48 2.140 1.733 -8.779 1.00 0.74 C ATOM 711 CD GLU A 48 2.208 1.369 -7.332 1.00 1.12 C ATOM 712 OE1 GLU A 48 2.059 2.275 -6.490 1.00 1.56 O ATOM 713 OE2 GLU A 48 2.327 0.169 -7.009 1.00 1.74 O ATOM 0 H GLU A 48 3.512 3.711 -9.488 1.00 0.49 H new ATOM 0 HA GLU A 48 4.960 1.670 -8.264 1.00 0.53 H new ATOM 0 HB2 GLU A 48 3.110 1.464 -10.661 1.00 0.69 H new ATOM 0 HB3 GLU A 48 3.454 0.208 -9.488 1.00 0.69 H new ATOM 0 HG2 GLU A 48 2.046 2.816 -8.862 1.00 0.74 H new ATOM 0 HG3 GLU A 48 1.235 1.301 -9.205 1.00 0.74 H new ATOM 720 N THR A 49 6.666 0.826 -9.837 1.00 0.53 N ATOM 721 CA THR A 49 7.753 0.401 -10.666 1.00 0.58 C ATOM 722 C THR A 49 7.917 -1.102 -10.523 1.00 0.60 C ATOM 723 O THR A 49 7.255 -1.724 -9.704 1.00 0.65 O ATOM 724 CB THR A 49 9.060 1.106 -10.229 1.00 0.71 C ATOM 725 OG1 THR A 49 9.204 0.995 -8.806 1.00 1.57 O ATOM 726 CG2 THR A 49 9.070 2.576 -10.627 1.00 0.98 C ATOM 0 H THR A 49 6.730 0.503 -8.872 1.00 0.53 H new ATOM 0 HA THR A 49 7.543 0.659 -11.704 1.00 0.58 H new ATOM 0 HB THR A 49 9.893 0.618 -10.735 1.00 0.71 H new ATOM 0 HG1 THR A 49 10.031 1.439 -8.525 1.00 1.57 H new ATOM 0 HG21 THR A 49 10.004 3.035 -10.302 1.00 0.98 H new ATOM 0 HG22 THR A 49 8.982 2.660 -11.710 1.00 0.98 H new ATOM 0 HG23 THR A 49 8.231 3.087 -10.154 1.00 0.98 H new ATOM 734 N SER A 50 8.793 -1.685 -11.314 1.00 0.68 N ATOM 735 CA SER A 50 9.076 -3.112 -11.238 1.00 0.78 C ATOM 736 C SER A 50 9.986 -3.416 -10.026 1.00 0.72 C ATOM 737 O SER A 50 10.341 -4.566 -9.753 1.00 0.86 O ATOM 738 CB SER A 50 9.742 -3.542 -12.542 1.00 0.96 C ATOM 739 OG SER A 50 8.979 -3.080 -13.656 1.00 1.52 O ATOM 0 H SER A 50 9.329 -1.190 -12.026 1.00 0.68 H new ATOM 0 HA SER A 50 8.150 -3.671 -11.101 1.00 0.78 H new ATOM 0 HB2 SER A 50 10.754 -3.141 -12.593 1.00 0.96 H new ATOM 0 HB3 SER A 50 9.828 -4.628 -12.575 1.00 0.96 H new ATOM 0 HG SER A 50 9.414 -3.359 -14.489 1.00 1.52 H new ATOM 745 N PHE A 51 10.353 -2.365 -9.319 1.00 0.64 N ATOM 746 CA PHE A 51 11.179 -2.464 -8.145 1.00 0.68 C ATOM 747 C PHE A 51 10.313 -2.257 -6.911 1.00 0.55 C ATOM 748 O PHE A 51 10.451 -2.966 -5.918 1.00 0.61 O ATOM 749 CB PHE A 51 12.292 -1.399 -8.189 1.00 0.87 C ATOM 750 CG PHE A 51 13.240 -1.531 -9.362 1.00 1.08 C ATOM 751 CD1 PHE A 51 14.494 -2.082 -9.191 1.00 1.39 C ATOM 752 CD2 PHE A 51 12.868 -1.107 -10.632 1.00 1.16 C ATOM 753 CE1 PHE A 51 15.362 -2.208 -10.257 1.00 1.59 C ATOM 754 CE2 PHE A 51 13.730 -1.231 -11.699 1.00 1.37 C ATOM 755 CZ PHE A 51 14.979 -1.781 -11.512 1.00 1.52 C ATOM 0 H PHE A 51 10.080 -1.410 -9.551 1.00 0.64 H new ATOM 0 HA PHE A 51 11.642 -3.450 -8.108 1.00 0.68 H new ATOM 0 HB2 PHE A 51 11.832 -0.411 -8.219 1.00 0.87 H new ATOM 0 HB3 PHE A 51 12.867 -1.454 -7.265 1.00 0.87 H new ATOM 0 HD1 PHE A 51 14.800 -2.419 -8.211 1.00 1.39 H new ATOM 0 HD2 PHE A 51 11.890 -0.675 -10.784 1.00 1.16 H new ATOM 0 HE1 PHE A 51 16.340 -2.641 -10.109 1.00 1.59 H new ATOM 0 HE2 PHE A 51 13.427 -0.898 -12.681 1.00 1.37 H new ATOM 0 HZ PHE A 51 15.658 -1.878 -12.347 1.00 1.52 H new ATOM 765 N ILE A 52 9.397 -1.307 -7.004 1.00 0.46 N ATOM 766 CA ILE A 52 8.500 -0.973 -5.914 1.00 0.39 C ATOM 767 C ILE A 52 7.081 -0.987 -6.458 1.00 0.37 C ATOM 768 O ILE A 52 6.725 -0.108 -7.249 1.00 0.43 O ATOM 769 CB ILE A 52 8.776 0.465 -5.388 1.00 0.41 C ATOM 770 CG1 ILE A 52 10.271 0.681 -5.092 1.00 0.46 C ATOM 771 CG2 ILE A 52 7.936 0.732 -4.139 1.00 0.41 C ATOM 772 CD1 ILE A 52 10.621 2.106 -4.710 1.00 0.50 C ATOM 0 H ILE A 52 9.255 -0.744 -7.843 1.00 0.46 H new ATOM 0 HA ILE A 52 8.644 -1.690 -5.106 1.00 0.39 H new ATOM 0 HB ILE A 52 8.492 1.172 -6.167 1.00 0.41 H new ATOM 0 HG12 ILE A 52 10.572 0.014 -4.284 1.00 0.46 H new ATOM 0 HG13 ILE A 52 10.850 0.398 -5.971 1.00 0.46 H new ATOM 0 HG21 ILE A 52 8.134 1.740 -3.776 1.00 0.41 H new ATOM 0 HG22 ILE A 52 6.878 0.636 -4.384 1.00 0.41 H new ATOM 0 HG23 ILE A 52 8.196 0.010 -3.365 1.00 0.41 H new ATOM 0 HD11 ILE A 52 11.691 2.178 -4.517 1.00 0.50 H new ATOM 0 HD12 ILE A 52 10.353 2.778 -5.526 1.00 0.50 H new ATOM 0 HD13 ILE A 52 10.070 2.388 -3.812 1.00 0.50 H new ATOM 784 N PHE A 53 6.293 -1.960 -6.077 1.00 0.33 N ATOM 785 CA PHE A 53 4.931 -2.049 -6.574 1.00 0.37 C ATOM 786 C PHE A 53 3.984 -2.562 -5.507 1.00 0.31 C ATOM 787 O PHE A 53 4.369 -3.350 -4.618 1.00 0.29 O ATOM 788 CB PHE A 53 4.850 -2.928 -7.845 1.00 0.48 C ATOM 789 CG PHE A 53 5.374 -4.340 -7.707 1.00 1.06 C ATOM 790 CD1 PHE A 53 6.686 -4.638 -8.039 1.00 1.95 C ATOM 791 CD2 PHE A 53 4.552 -5.366 -7.262 1.00 1.15 C ATOM 792 CE1 PHE A 53 7.167 -5.923 -7.929 1.00 2.87 C ATOM 793 CE2 PHE A 53 5.032 -6.655 -7.147 1.00 2.02 C ATOM 794 CZ PHE A 53 6.341 -6.934 -7.481 1.00 2.89 C ATOM 0 H PHE A 53 6.562 -2.700 -5.429 1.00 0.33 H new ATOM 0 HA PHE A 53 4.620 -1.039 -6.842 1.00 0.37 H new ATOM 0 HB2 PHE A 53 3.809 -2.977 -8.163 1.00 0.48 H new ATOM 0 HB3 PHE A 53 5.404 -2.432 -8.642 1.00 0.48 H new ATOM 0 HD1 PHE A 53 7.339 -3.852 -8.388 1.00 1.95 H new ATOM 0 HD2 PHE A 53 3.525 -5.153 -7.003 1.00 1.15 H new ATOM 0 HE1 PHE A 53 8.191 -6.140 -8.193 1.00 2.87 H new ATOM 0 HE2 PHE A 53 4.384 -7.444 -6.796 1.00 2.02 H new ATOM 0 HZ PHE A 53 6.719 -7.942 -7.392 1.00 2.89 H new ATOM 804 N THR A 54 2.779 -2.077 -5.570 1.00 0.35 N ATOM 805 CA THR A 54 1.721 -2.475 -4.695 1.00 0.35 C ATOM 806 C THR A 54 1.182 -3.837 -5.151 1.00 0.35 C ATOM 807 O THR A 54 0.541 -3.946 -6.190 1.00 0.40 O ATOM 808 CB THR A 54 0.593 -1.429 -4.750 1.00 0.39 C ATOM 809 OG1 THR A 54 1.147 -0.122 -4.549 1.00 0.43 O ATOM 810 CG2 THR A 54 -0.425 -1.686 -3.666 1.00 0.44 C ATOM 0 H THR A 54 2.499 -1.373 -6.253 1.00 0.35 H new ATOM 0 HA THR A 54 2.093 -2.551 -3.673 1.00 0.35 H new ATOM 0 HB THR A 54 0.109 -1.496 -5.724 1.00 0.39 H new ATOM 0 HG1 THR A 54 1.705 0.118 -5.318 1.00 0.43 H new ATOM 0 HG21 THR A 54 -1.214 -0.936 -3.722 1.00 0.44 H new ATOM 0 HG22 THR A 54 -0.857 -2.678 -3.800 1.00 0.44 H new ATOM 0 HG23 THR A 54 0.060 -1.631 -2.691 1.00 0.44 H new ATOM 818 N GLU A 55 1.448 -4.845 -4.376 1.00 0.36 N ATOM 819 CA GLU A 55 1.092 -6.203 -4.690 1.00 0.42 C ATOM 820 C GLU A 55 -0.119 -6.578 -3.818 1.00 0.44 C ATOM 821 O GLU A 55 -0.002 -6.691 -2.606 1.00 0.57 O ATOM 822 CB GLU A 55 2.341 -7.066 -4.378 1.00 0.60 C ATOM 823 CG GLU A 55 2.408 -8.458 -4.994 1.00 1.21 C ATOM 824 CD GLU A 55 1.427 -9.434 -4.429 1.00 1.38 C ATOM 825 OE1 GLU A 55 0.492 -9.826 -5.147 1.00 1.67 O ATOM 826 OE2 GLU A 55 1.606 -9.865 -3.269 1.00 2.04 O ATOM 0 H GLU A 55 1.931 -4.747 -3.483 1.00 0.36 H new ATOM 0 HA GLU A 55 0.811 -6.355 -5.732 1.00 0.42 H new ATOM 0 HB2 GLU A 55 3.222 -6.512 -4.703 1.00 0.60 H new ATOM 0 HB3 GLU A 55 2.413 -7.174 -3.296 1.00 0.60 H new ATOM 0 HG2 GLU A 55 2.241 -8.375 -6.068 1.00 1.21 H new ATOM 0 HG3 GLU A 55 3.414 -8.854 -4.858 1.00 1.21 H new ATOM 833 N PHE A 56 -1.271 -6.703 -4.434 1.00 0.52 N ATOM 834 CA PHE A 56 -2.520 -6.986 -3.718 1.00 0.62 C ATOM 835 C PHE A 56 -2.740 -8.476 -3.552 1.00 0.73 C ATOM 836 O PHE A 56 -2.379 -9.269 -4.420 1.00 0.87 O ATOM 837 CB PHE A 56 -3.731 -6.407 -4.468 1.00 0.68 C ATOM 838 CG PHE A 56 -3.792 -4.911 -4.545 1.00 0.63 C ATOM 839 CD1 PHE A 56 -4.547 -4.195 -3.638 1.00 0.69 C ATOM 840 CD2 PHE A 56 -3.113 -4.222 -5.534 1.00 0.61 C ATOM 841 CE1 PHE A 56 -4.623 -2.823 -3.714 1.00 0.69 C ATOM 842 CE2 PHE A 56 -3.182 -2.851 -5.614 1.00 0.59 C ATOM 843 CZ PHE A 56 -3.939 -2.148 -4.705 1.00 0.61 C ATOM 0 H PHE A 56 -1.382 -6.614 -5.444 1.00 0.52 H new ATOM 0 HA PHE A 56 -2.428 -6.518 -2.738 1.00 0.62 H new ATOM 0 HB2 PHE A 56 -3.731 -6.805 -5.483 1.00 0.68 H new ATOM 0 HB3 PHE A 56 -4.640 -6.765 -3.985 1.00 0.68 H new ATOM 0 HD1 PHE A 56 -5.084 -4.717 -2.860 1.00 0.69 H new ATOM 0 HD2 PHE A 56 -2.521 -4.768 -6.253 1.00 0.61 H new ATOM 0 HE1 PHE A 56 -5.218 -2.275 -2.998 1.00 0.69 H new ATOM 0 HE2 PHE A 56 -2.643 -2.327 -6.389 1.00 0.59 H new ATOM 0 HZ PHE A 56 -3.998 -1.071 -4.767 1.00 0.61 H new ATOM 853 N LEU A 57 -3.364 -8.851 -2.462 1.00 0.77 N ATOM 854 CA LEU A 57 -3.705 -10.231 -2.213 1.00 0.93 C ATOM 855 C LEU A 57 -5.225 -10.318 -2.130 1.00 1.04 C ATOM 856 O LEU A 57 -5.900 -9.286 -2.059 1.00 1.04 O ATOM 857 CB LEU A 57 -2.944 -10.790 -0.973 1.00 1.01 C ATOM 858 CG LEU A 57 -3.287 -10.261 0.413 1.00 0.99 C ATOM 859 CD1 LEU A 57 -4.449 -11.031 1.011 1.00 1.25 C ATOM 860 CD2 LEU A 57 -2.072 -10.338 1.318 1.00 1.16 C ATOM 0 H LEU A 57 -3.650 -8.209 -1.723 1.00 0.77 H new ATOM 0 HA LEU A 57 -3.378 -10.880 -3.026 1.00 0.93 H new ATOM 0 HB2 LEU A 57 -3.092 -11.870 -0.957 1.00 1.01 H new ATOM 0 HB3 LEU A 57 -1.880 -10.616 -1.136 1.00 1.01 H new ATOM 0 HG LEU A 57 -3.587 -9.217 0.320 1.00 0.99 H new ATOM 0 HD11 LEU A 57 -4.676 -10.636 2.001 1.00 1.25 H new ATOM 0 HD12 LEU A 57 -5.324 -10.927 0.369 1.00 1.25 H new ATOM 0 HD13 LEU A 57 -4.183 -12.085 1.093 1.00 1.25 H new ATOM 0 HD21 LEU A 57 -2.330 -9.957 2.306 1.00 1.16 H new ATOM 0 HD22 LEU A 57 -1.746 -11.375 1.402 1.00 1.16 H new ATOM 0 HD23 LEU A 57 -1.266 -9.738 0.897 1.00 1.16 H new ATOM 872 N GLU A 58 -5.767 -11.503 -2.198 1.00 1.18 N ATOM 873 CA GLU A 58 -7.212 -11.672 -2.321 1.00 1.31 C ATOM 874 C GLU A 58 -7.951 -11.567 -1.001 1.00 1.24 C ATOM 875 O GLU A 58 -7.621 -12.266 -0.034 1.00 1.32 O ATOM 876 CB GLU A 58 -7.523 -12.991 -2.982 1.00 1.61 C ATOM 877 CG GLU A 58 -6.946 -13.107 -4.372 1.00 2.01 C ATOM 878 CD GLU A 58 -7.185 -14.447 -4.965 1.00 2.65 C ATOM 879 OE1 GLU A 58 -6.437 -15.389 -4.641 1.00 3.36 O ATOM 880 OE2 GLU A 58 -8.109 -14.582 -5.785 1.00 2.90 O ATOM 0 H GLU A 58 -5.239 -12.375 -2.171 1.00 1.18 H new ATOM 0 HA GLU A 58 -7.566 -10.847 -2.939 1.00 1.31 H new ATOM 0 HB2 GLU A 58 -7.134 -13.801 -2.365 1.00 1.61 H new ATOM 0 HB3 GLU A 58 -8.604 -13.120 -3.032 1.00 1.61 H new ATOM 0 HG2 GLU A 58 -7.388 -12.343 -5.012 1.00 2.01 H new ATOM 0 HG3 GLU A 58 -5.874 -12.912 -4.337 1.00 2.01 H new ATOM 887 N PRO A 59 -8.960 -10.689 -0.938 1.00 1.21 N ATOM 888 CA PRO A 59 -9.797 -10.539 0.239 1.00 1.25 C ATOM 889 C PRO A 59 -10.849 -11.651 0.314 1.00 1.26 C ATOM 890 O PRO A 59 -11.419 -12.070 -0.715 1.00 1.35 O ATOM 891 CB PRO A 59 -10.466 -9.179 0.030 1.00 1.37 C ATOM 892 CG PRO A 59 -10.531 -9.001 -1.447 1.00 1.39 C ATOM 893 CD PRO A 59 -9.366 -9.760 -2.024 1.00 1.30 C ATOM 0 HA PRO A 59 -9.231 -10.601 1.168 1.00 1.25 H new ATOM 0 HB2 PRO A 59 -11.461 -9.157 0.474 1.00 1.37 H new ATOM 0 HB3 PRO A 59 -9.890 -8.381 0.498 1.00 1.37 H new ATOM 0 HG2 PRO A 59 -11.474 -9.380 -1.842 1.00 1.39 H new ATOM 0 HG3 PRO A 59 -10.475 -7.945 -1.713 1.00 1.39 H new ATOM 0 HD2 PRO A 59 -9.652 -10.302 -2.925 1.00 1.30 H new ATOM 0 HD3 PRO A 59 -8.552 -9.090 -2.300 1.00 1.30 H new ATOM 901 N ALA A 60 -11.086 -12.137 1.503 1.00 1.29 N ATOM 902 CA ALA A 60 -12.072 -13.159 1.731 1.00 1.40 C ATOM 903 C ALA A 60 -13.427 -12.486 1.851 1.00 1.40 C ATOM 904 O ALA A 60 -13.515 -11.285 2.094 1.00 1.33 O ATOM 905 CB ALA A 60 -11.733 -13.921 3.004 1.00 1.53 C ATOM 0 H ALA A 60 -10.598 -11.833 2.345 1.00 1.29 H new ATOM 0 HA ALA A 60 -12.089 -13.871 0.906 1.00 1.40 H new ATOM 0 HB1 ALA A 60 -12.481 -14.695 3.175 1.00 1.53 H new ATOM 0 HB2 ALA A 60 -10.751 -14.382 2.901 1.00 1.53 H new ATOM 0 HB3 ALA A 60 -11.724 -13.232 3.849 1.00 1.53 H new ATOM 911 N ALA A 61 -14.479 -13.264 1.677 1.00 1.55 N ATOM 912 CA ALA A 61 -15.855 -12.757 1.636 1.00 1.65 C ATOM 913 C ALA A 61 -16.327 -12.206 2.977 1.00 1.59 C ATOM 914 O ALA A 61 -17.334 -11.498 3.048 1.00 1.70 O ATOM 915 CB ALA A 61 -16.808 -13.826 1.123 1.00 1.91 C ATOM 0 H ALA A 61 -14.411 -14.275 1.558 1.00 1.55 H new ATOM 0 HA ALA A 61 -15.857 -11.918 0.940 1.00 1.65 H new ATOM 0 HB1 ALA A 61 -17.823 -13.429 1.101 1.00 1.91 H new ATOM 0 HB2 ALA A 61 -16.513 -14.124 0.117 1.00 1.91 H new ATOM 0 HB3 ALA A 61 -16.772 -14.693 1.783 1.00 1.91 H new ATOM 921 N ASN A 62 -15.609 -12.525 4.033 1.00 1.52 N ATOM 922 CA ASN A 62 -15.943 -12.009 5.354 1.00 1.56 C ATOM 923 C ASN A 62 -15.182 -10.708 5.597 1.00 1.33 C ATOM 924 O ASN A 62 -15.419 -10.009 6.578 1.00 1.40 O ATOM 925 CB ASN A 62 -15.611 -13.028 6.477 1.00 1.82 C ATOM 926 CG ASN A 62 -14.126 -13.120 6.829 1.00 2.72 C ATOM 927 OD1 ASN A 62 -13.642 -12.396 7.710 1.00 3.49 O ATOM 928 ND2 ASN A 62 -13.411 -14.012 6.188 1.00 3.19 N ATOM 0 H ASN A 62 -14.793 -13.136 4.009 1.00 1.52 H new ATOM 0 HA ASN A 62 -17.018 -11.828 5.381 1.00 1.56 H new ATOM 0 HB2 ASN A 62 -16.168 -12.756 7.374 1.00 1.82 H new ATOM 0 HB3 ASN A 62 -15.961 -14.014 6.171 1.00 1.82 H new ATOM 0 HD21 ASN A 62 -12.422 -14.127 6.409 1.00 3.19 H new ATOM 0 HD22 ASN A 62 -13.844 -14.591 5.468 1.00 3.19 H new ATOM 935 N GLU A 63 -14.281 -10.383 4.692 1.00 1.20 N ATOM 936 CA GLU A 63 -13.474 -9.199 4.824 1.00 1.07 C ATOM 937 C GLU A 63 -13.993 -8.125 3.904 1.00 0.90 C ATOM 938 O GLU A 63 -14.295 -8.380 2.736 1.00 0.97 O ATOM 939 CB GLU A 63 -12.018 -9.470 4.443 1.00 1.16 C ATOM 940 CG GLU A 63 -11.337 -10.575 5.216 1.00 1.31 C ATOM 941 CD GLU A 63 -9.906 -10.750 4.781 1.00 1.42 C ATOM 942 OE1 GLU A 63 -8.983 -10.401 5.559 1.00 1.48 O ATOM 943 OE2 GLU A 63 -9.672 -11.195 3.643 1.00 1.89 O ATOM 0 H GLU A 63 -14.093 -10.931 3.853 1.00 1.20 H new ATOM 0 HA GLU A 63 -13.525 -8.885 5.866 1.00 1.07 H new ATOM 0 HB2 GLU A 63 -11.978 -9.715 3.382 1.00 1.16 H new ATOM 0 HB3 GLU A 63 -11.448 -8.551 4.579 1.00 1.16 H new ATOM 0 HG2 GLU A 63 -11.370 -10.349 6.282 1.00 1.31 H new ATOM 0 HG3 GLU A 63 -11.879 -11.509 5.072 1.00 1.31 H new ATOM 950 N THR A 64 -14.108 -6.944 4.415 1.00 0.80 N ATOM 951 CA THR A 64 -14.452 -5.805 3.606 1.00 0.74 C ATOM 952 C THR A 64 -13.164 -4.969 3.439 1.00 0.59 C ATOM 953 O THR A 64 -13.183 -3.783 3.115 1.00 0.61 O ATOM 954 CB THR A 64 -15.544 -4.986 4.326 1.00 0.90 C ATOM 955 OG1 THR A 64 -16.547 -5.897 4.817 1.00 1.30 O ATOM 956 CG2 THR A 64 -16.221 -4.010 3.378 1.00 1.15 C ATOM 0 H THR A 64 -13.968 -6.734 5.403 1.00 0.80 H new ATOM 0 HA THR A 64 -14.839 -6.102 2.631 1.00 0.74 H new ATOM 0 HB THR A 64 -15.076 -4.424 5.135 1.00 0.90 H new ATOM 0 HG1 THR A 64 -17.249 -5.393 5.279 1.00 1.30 H new ATOM 0 HG21 THR A 64 -16.985 -3.449 3.917 1.00 1.15 H new ATOM 0 HG22 THR A 64 -15.480 -3.319 2.976 1.00 1.15 H new ATOM 0 HG23 THR A 64 -16.685 -4.560 2.560 1.00 1.15 H new ATOM 964 N VAL A 65 -12.043 -5.640 3.654 1.00 0.53 N ATOM 965 CA VAL A 65 -10.753 -5.008 3.662 1.00 0.45 C ATOM 966 C VAL A 65 -9.925 -5.482 2.484 1.00 0.42 C ATOM 967 O VAL A 65 -9.831 -6.683 2.226 1.00 0.49 O ATOM 968 CB VAL A 65 -9.973 -5.341 4.966 1.00 0.52 C ATOM 969 CG1 VAL A 65 -8.697 -4.534 5.070 1.00 0.50 C ATOM 970 CG2 VAL A 65 -10.836 -5.152 6.197 1.00 0.61 C ATOM 0 H VAL A 65 -12.013 -6.645 3.828 1.00 0.53 H new ATOM 0 HA VAL A 65 -10.919 -3.933 3.600 1.00 0.45 H new ATOM 0 HB VAL A 65 -9.698 -6.394 4.914 1.00 0.52 H new ATOM 0 HG11 VAL A 65 -8.178 -4.792 5.993 1.00 0.50 H new ATOM 0 HG12 VAL A 65 -8.055 -4.757 4.218 1.00 0.50 H new ATOM 0 HG13 VAL A 65 -8.938 -3.471 5.074 1.00 0.50 H new ATOM 0 HG21 VAL A 65 -10.257 -5.394 7.088 1.00 0.61 H new ATOM 0 HG22 VAL A 65 -11.170 -4.116 6.252 1.00 0.61 H new ATOM 0 HG23 VAL A 65 -11.703 -5.810 6.138 1.00 0.61 H new ATOM 980 N ARG A 66 -9.329 -4.549 1.796 1.00 0.37 N ATOM 981 CA ARG A 66 -8.438 -4.836 0.704 1.00 0.36 C ATOM 982 C ARG A 66 -7.086 -5.100 1.328 1.00 0.34 C ATOM 983 O ARG A 66 -6.570 -4.262 2.088 1.00 0.41 O ATOM 984 CB ARG A 66 -8.312 -3.631 -0.244 1.00 0.42 C ATOM 985 CG ARG A 66 -9.631 -3.074 -0.778 1.00 1.13 C ATOM 986 CD ARG A 66 -9.401 -1.878 -1.714 1.00 1.10 C ATOM 987 NE ARG A 66 -8.659 -2.249 -2.935 1.00 0.82 N ATOM 988 CZ ARG A 66 -8.304 -1.421 -3.940 1.00 1.15 C ATOM 989 NH1 ARG A 66 -8.433 -0.103 -3.808 1.00 1.61 N ATOM 990 NH2 ARG A 66 -7.783 -1.915 -5.056 1.00 1.84 N ATOM 0 H ARG A 66 -9.449 -3.553 1.980 1.00 0.37 H new ATOM 0 HA ARG A 66 -8.810 -5.680 0.124 1.00 0.36 H new ATOM 0 HB2 ARG A 66 -7.786 -2.833 0.279 1.00 0.42 H new ATOM 0 HB3 ARG A 66 -7.690 -3.921 -1.091 1.00 0.42 H new ATOM 0 HG2 ARG A 66 -10.168 -3.858 -1.313 1.00 1.13 H new ATOM 0 HG3 ARG A 66 -10.262 -2.768 0.056 1.00 1.13 H new ATOM 0 HD2 ARG A 66 -10.363 -1.450 -1.994 1.00 1.10 H new ATOM 0 HD3 ARG A 66 -8.851 -1.103 -1.180 1.00 1.10 H new ATOM 0 HE ARG A 66 -8.388 -3.228 -3.028 1.00 0.82 H new ATOM 0 HH11 ARG A 66 -8.803 0.289 -2.942 1.00 1.61 H new ATOM 0 HH12 ARG A 66 -8.162 0.515 -4.573 1.00 1.61 H new ATOM 0 HH21 ARG A 66 -7.650 -2.921 -5.155 1.00 1.84 H new ATOM 0 HH22 ARG A 66 -7.515 -1.288 -5.815 1.00 1.84 H new ATOM 1004 N HIS A 67 -6.534 -6.245 1.072 1.00 0.35 N ATOM 1005 CA HIS A 67 -5.249 -6.589 1.634 1.00 0.39 C ATOM 1006 C HIS A 67 -4.204 -6.578 0.567 1.00 0.35 C ATOM 1007 O HIS A 67 -4.441 -7.041 -0.548 1.00 0.46 O ATOM 1008 CB HIS A 67 -5.256 -7.958 2.308 1.00 0.53 C ATOM 1009 CG HIS A 67 -5.992 -8.045 3.596 1.00 0.69 C ATOM 1010 ND1 HIS A 67 -5.355 -8.103 4.808 1.00 1.08 N ATOM 1011 CD2 HIS A 67 -7.309 -8.139 3.859 1.00 0.72 C ATOM 1012 CE1 HIS A 67 -6.246 -8.231 5.761 1.00 1.16 C ATOM 1013 NE2 HIS A 67 -7.446 -8.258 5.213 1.00 0.90 N ATOM 0 H HIS A 67 -6.947 -6.964 0.478 1.00 0.35 H new ATOM 0 HA HIS A 67 -5.025 -5.841 2.394 1.00 0.39 H new ATOM 0 HB2 HIS A 67 -5.689 -8.680 1.615 1.00 0.53 H new ATOM 0 HB3 HIS A 67 -4.223 -8.261 2.481 1.00 0.53 H new ATOM 0 HD2 HIS A 67 -8.109 -8.123 3.134 1.00 0.72 H new ATOM 0 HE1 HIS A 67 -6.033 -8.302 6.817 1.00 1.16 H new ATOM 0 HE2 HIS A 67 -8.328 -8.352 5.716 1.00 0.90 H new ATOM 1022 N GLY A 68 -3.070 -6.067 0.890 1.00 0.30 N ATOM 1023 CA GLY A 68 -2.009 -6.034 -0.041 1.00 0.31 C ATOM 1024 C GLY A 68 -0.727 -5.724 0.636 1.00 0.24 C ATOM 1025 O GLY A 68 -0.705 -5.444 1.838 1.00 0.26 O ATOM 0 H GLY A 68 -2.856 -5.663 1.802 1.00 0.30 H new ATOM 0 HA2 GLY A 68 -1.934 -6.995 -0.549 1.00 0.31 H new ATOM 0 HA3 GLY A 68 -2.213 -5.284 -0.806 1.00 0.31 H new ATOM 1029 N CYS A 69 0.312 -5.744 -0.106 1.00 0.21 N ATOM 1030 CA CYS A 69 1.613 -5.474 0.384 1.00 0.20 C ATOM 1031 C CYS A 69 2.359 -4.611 -0.604 1.00 0.19 C ATOM 1032 O CYS A 69 2.314 -4.862 -1.806 1.00 0.22 O ATOM 1033 CB CYS A 69 2.359 -6.803 0.583 1.00 0.25 C ATOM 1034 SG CYS A 69 4.151 -6.630 0.875 1.00 0.36 S ATOM 0 H CYS A 69 0.283 -5.955 -1.104 1.00 0.21 H new ATOM 0 HA CYS A 69 1.546 -4.946 1.335 1.00 0.20 H new ATOM 0 HB2 CYS A 69 1.916 -7.331 1.427 1.00 0.25 H new ATOM 0 HB3 CYS A 69 2.206 -7.426 -0.298 1.00 0.25 H new ATOM 1039 N LEU A 70 2.991 -3.569 -0.129 1.00 0.20 N ATOM 1040 CA LEU A 70 3.885 -2.824 -0.972 1.00 0.22 C ATOM 1041 C LEU A 70 5.156 -3.623 -0.975 1.00 0.23 C ATOM 1042 O LEU A 70 5.870 -3.681 0.037 1.00 0.24 O ATOM 1043 CB LEU A 70 4.139 -1.408 -0.448 1.00 0.24 C ATOM 1044 CG LEU A 70 5.018 -0.518 -1.339 1.00 0.25 C ATOM 1045 CD1 LEU A 70 4.356 -0.270 -2.679 1.00 0.26 C ATOM 1046 CD2 LEU A 70 5.321 0.796 -0.660 1.00 0.28 C ATOM 0 H LEU A 70 2.904 -3.221 0.826 1.00 0.20 H new ATOM 0 HA LEU A 70 3.465 -2.689 -1.969 1.00 0.22 H new ATOM 0 HB2 LEU A 70 3.178 -0.914 -0.308 1.00 0.24 H new ATOM 0 HB3 LEU A 70 4.606 -1.482 0.534 1.00 0.24 H new ATOM 0 HG LEU A 70 5.957 -1.046 -1.508 1.00 0.25 H new ATOM 0 HD11 LEU A 70 4.999 0.363 -3.291 1.00 0.26 H new ATOM 0 HD12 LEU A 70 4.194 -1.221 -3.186 1.00 0.26 H new ATOM 0 HD13 LEU A 70 3.398 0.227 -2.525 1.00 0.26 H new ATOM 0 HD21 LEU A 70 5.945 1.407 -1.312 1.00 0.28 H new ATOM 0 HD22 LEU A 70 4.389 1.322 -0.452 1.00 0.28 H new ATOM 0 HD23 LEU A 70 5.848 0.609 0.275 1.00 0.28 H new ATOM 1058 N ARG A 71 5.398 -4.291 -2.050 1.00 0.30 N ATOM 1059 CA ARG A 71 6.466 -5.225 -2.104 1.00 0.35 C ATOM 1060 C ARG A 71 7.660 -4.619 -2.775 1.00 0.36 C ATOM 1061 O ARG A 71 7.597 -4.245 -3.960 1.00 0.42 O ATOM 1062 CB ARG A 71 6.033 -6.486 -2.863 1.00 0.51 C ATOM 1063 CG ARG A 71 7.077 -7.593 -2.856 1.00 1.20 C ATOM 1064 CD ARG A 71 6.689 -8.754 -3.762 1.00 1.20 C ATOM 1065 NE ARG A 71 5.396 -9.366 -3.405 1.00 1.43 N ATOM 1066 CZ ARG A 71 5.149 -10.692 -3.407 1.00 1.80 C ATOM 1067 NH1 ARG A 71 6.131 -11.558 -3.634 1.00 1.98 N ATOM 1068 NH2 ARG A 71 3.923 -11.145 -3.187 1.00 2.68 N ATOM 0 H ARG A 71 4.862 -4.205 -2.914 1.00 0.30 H new ATOM 0 HA ARG A 71 6.734 -5.496 -1.083 1.00 0.35 H new ATOM 0 HB2 ARG A 71 5.111 -6.866 -2.423 1.00 0.51 H new ATOM 0 HB3 ARG A 71 5.807 -6.218 -3.895 1.00 0.51 H new ATOM 0 HG2 ARG A 71 8.036 -7.188 -3.178 1.00 1.20 H new ATOM 0 HG3 ARG A 71 7.211 -7.958 -1.838 1.00 1.20 H new ATOM 0 HD2 ARG A 71 6.644 -8.402 -4.793 1.00 1.20 H new ATOM 0 HD3 ARG A 71 7.468 -9.515 -3.719 1.00 1.20 H new ATOM 0 HE ARG A 71 4.634 -8.742 -3.138 1.00 1.43 H new ATOM 0 HH11 ARG A 71 7.078 -11.221 -3.808 1.00 1.98 H new ATOM 0 HH12 ARG A 71 5.938 -12.560 -3.634 1.00 1.98 H new ATOM 0 HH21 ARG A 71 3.160 -10.490 -3.015 1.00 2.68 H new ATOM 0 HH22 ARG A 71 3.742 -12.149 -3.190 1.00 2.68 H new ATOM 1082 N LEU A 72 8.728 -4.483 -2.036 1.00 0.37 N ATOM 1083 CA LEU A 72 9.949 -4.069 -2.623 1.00 0.42 C ATOM 1084 C LEU A 72 10.597 -5.316 -3.207 1.00 0.44 C ATOM 1085 O LEU A 72 11.074 -6.204 -2.480 1.00 0.49 O ATOM 1086 CB LEU A 72 10.825 -3.380 -1.560 1.00 0.50 C ATOM 1087 CG LEU A 72 10.188 -2.120 -0.942 1.00 0.70 C ATOM 1088 CD1 LEU A 72 10.913 -1.671 0.301 1.00 1.23 C ATOM 1089 CD2 LEU A 72 10.182 -1.004 -1.946 1.00 0.61 C ATOM 0 H LEU A 72 8.766 -4.655 -1.031 1.00 0.37 H new ATOM 0 HA LEU A 72 9.803 -3.337 -3.417 1.00 0.42 H new ATOM 0 HB2 LEU A 72 11.041 -4.093 -0.764 1.00 0.50 H new ATOM 0 HB3 LEU A 72 11.779 -3.108 -2.011 1.00 0.50 H new ATOM 0 HG LEU A 72 9.167 -2.377 -0.661 1.00 0.70 H new ATOM 0 HD11 LEU A 72 10.430 -0.780 0.702 1.00 1.23 H new ATOM 0 HD12 LEU A 72 10.885 -2.466 1.046 1.00 1.23 H new ATOM 0 HD13 LEU A 72 11.950 -1.441 0.055 1.00 1.23 H new ATOM 0 HD21 LEU A 72 9.730 -0.117 -1.502 1.00 0.61 H new ATOM 0 HD22 LEU A 72 11.206 -0.779 -2.245 1.00 0.61 H new ATOM 0 HD23 LEU A 72 9.606 -1.305 -2.821 1.00 0.61 H new ATOM 1101 N ASN A 73 10.568 -5.377 -4.515 1.00 0.56 N ATOM 1102 CA ASN A 73 11.055 -6.513 -5.291 1.00 0.72 C ATOM 1103 C ASN A 73 12.562 -6.545 -5.264 1.00 0.73 C ATOM 1104 O ASN A 73 13.175 -7.578 -4.994 1.00 0.87 O ATOM 1105 CB ASN A 73 10.536 -6.399 -6.730 1.00 0.90 C ATOM 1106 CG ASN A 73 10.999 -7.512 -7.657 1.00 1.41 C ATOM 1107 OD1 ASN A 73 11.225 -8.653 -7.240 1.00 2.18 O ATOM 1108 ND2 ASN A 73 11.123 -7.194 -8.920 1.00 1.84 N ATOM 0 H ASN A 73 10.197 -4.623 -5.094 1.00 0.56 H new ATOM 0 HA ASN A 73 10.689 -7.443 -4.856 1.00 0.72 H new ATOM 0 HB2 ASN A 73 9.446 -6.390 -6.710 1.00 0.90 H new ATOM 0 HB3 ASN A 73 10.856 -5.442 -7.143 1.00 0.90 H new ATOM 0 HD21 ASN A 73 11.415 -7.899 -9.597 1.00 1.84 H new ATOM 0 HD22 ASN A 73 10.928 -6.241 -9.228 1.00 1.84 H new ATOM 1115 N GLN A 74 13.149 -5.423 -5.548 1.00 0.66 N ATOM 1116 CA GLN A 74 14.562 -5.249 -5.455 1.00 0.72 C ATOM 1117 C GLN A 74 14.803 -4.114 -4.501 1.00 0.66 C ATOM 1118 O GLN A 74 14.583 -2.953 -4.853 1.00 0.69 O ATOM 1119 CB GLN A 74 15.172 -4.948 -6.830 1.00 0.86 C ATOM 1120 CG GLN A 74 15.169 -6.132 -7.788 1.00 1.58 C ATOM 1121 CD GLN A 74 16.072 -7.261 -7.317 1.00 2.11 C ATOM 1122 OE1 GLN A 74 17.259 -7.305 -7.652 1.00 2.82 O ATOM 1123 NE2 GLN A 74 15.539 -8.165 -6.539 1.00 2.58 N ATOM 0 H GLN A 74 12.649 -4.589 -5.856 1.00 0.66 H new ATOM 0 HA GLN A 74 15.038 -6.162 -5.096 1.00 0.72 H new ATOM 0 HB2 GLN A 74 14.622 -4.125 -7.286 1.00 0.86 H new ATOM 0 HB3 GLN A 74 16.199 -4.609 -6.693 1.00 0.86 H new ATOM 0 HG2 GLN A 74 14.151 -6.506 -7.896 1.00 1.58 H new ATOM 0 HG3 GLN A 74 15.493 -5.799 -8.774 1.00 1.58 H new ATOM 0 HE21 GLN A 74 14.554 -8.099 -6.281 1.00 2.58 H new ATOM 0 HE22 GLN A 74 16.107 -8.936 -6.190 1.00 2.58 H new ATOM 1132 N PRO A 75 15.169 -4.430 -3.253 1.00 0.75 N ATOM 1133 CA PRO A 75 15.426 -3.414 -2.245 1.00 0.84 C ATOM 1134 C PRO A 75 16.579 -2.517 -2.671 1.00 0.81 C ATOM 1135 O PRO A 75 17.667 -2.999 -3.043 1.00 0.83 O ATOM 1136 CB PRO A 75 15.819 -4.229 -1.008 1.00 1.06 C ATOM 1137 CG PRO A 75 15.220 -5.560 -1.248 1.00 1.25 C ATOM 1138 CD PRO A 75 15.333 -5.787 -2.716 1.00 0.93 C ATOM 0 HA PRO A 75 14.571 -2.760 -2.075 1.00 0.84 H new ATOM 0 HB2 PRO A 75 16.902 -4.293 -0.900 1.00 1.06 H new ATOM 0 HB3 PRO A 75 15.434 -3.777 -0.094 1.00 1.06 H new ATOM 0 HG2 PRO A 75 15.746 -6.334 -0.689 1.00 1.25 H new ATOM 0 HG3 PRO A 75 14.179 -5.586 -0.926 1.00 1.25 H new ATOM 0 HD2 PRO A 75 16.296 -6.219 -2.988 1.00 0.93 H new ATOM 0 HD3 PRO A 75 14.564 -6.466 -3.083 1.00 0.93 H new ATOM 1146 N THR A 76 16.345 -1.243 -2.599 1.00 0.86 N ATOM 1147 CA THR A 76 17.288 -0.252 -3.009 1.00 0.90 C ATOM 1148 C THR A 76 17.440 0.766 -1.892 1.00 0.84 C ATOM 1149 O THR A 76 16.561 0.913 -1.051 1.00 0.79 O ATOM 1150 CB THR A 76 16.811 0.415 -4.324 1.00 1.07 C ATOM 1151 OG1 THR A 76 15.389 0.643 -4.269 1.00 1.17 O ATOM 1152 CG2 THR A 76 17.153 -0.448 -5.536 1.00 1.22 C ATOM 0 H THR A 76 15.471 -0.855 -2.244 1.00 0.86 H new ATOM 0 HA THR A 76 18.259 -0.707 -3.204 1.00 0.90 H new ATOM 0 HB THR A 76 17.329 1.368 -4.430 1.00 1.07 H new ATOM 0 HG1 THR A 76 15.093 1.066 -5.102 1.00 1.17 H new ATOM 0 HG21 THR A 76 16.806 0.046 -6.444 1.00 1.22 H new ATOM 0 HG22 THR A 76 18.233 -0.589 -5.589 1.00 1.22 H new ATOM 0 HG23 THR A 76 16.665 -1.418 -5.441 1.00 1.22 H new ATOM 1160 N HIS A 77 18.561 1.461 -1.878 1.00 0.92 N ATOM 1161 CA HIS A 77 18.920 2.347 -0.770 1.00 0.94 C ATOM 1162 C HIS A 77 18.030 3.577 -0.659 1.00 0.81 C ATOM 1163 O HIS A 77 18.189 4.356 0.251 1.00 0.85 O ATOM 1164 CB HIS A 77 20.417 2.737 -0.774 1.00 1.20 C ATOM 1165 CG HIS A 77 20.834 3.798 -1.758 1.00 1.36 C ATOM 1166 ND1 HIS A 77 21.368 5.001 -1.371 1.00 1.98 N ATOM 1167 CD2 HIS A 77 20.813 3.818 -3.101 1.00 1.62 C ATOM 1168 CE1 HIS A 77 21.650 5.716 -2.432 1.00 2.03 C ATOM 1169 NE2 HIS A 77 21.320 5.019 -3.500 1.00 1.72 N ATOM 0 H HIS A 77 19.251 1.433 -2.628 1.00 0.92 H new ATOM 0 HA HIS A 77 18.740 1.754 0.126 1.00 0.94 H new ATOM 0 HB2 HIS A 77 20.683 3.077 0.227 1.00 1.20 H new ATOM 0 HB3 HIS A 77 21.003 1.839 -0.972 1.00 1.20 H new ATOM 0 HD2 HIS A 77 20.459 3.028 -3.746 1.00 1.62 H new ATOM 0 HE1 HIS A 77 22.079 6.707 -2.431 1.00 2.03 H new ATOM 0 HE2 HIS A 77 21.426 5.327 -4.467 1.00 1.72 H new ATOM 1178 N VAL A 78 17.129 3.760 -1.605 1.00 0.83 N ATOM 1179 CA VAL A 78 16.174 4.848 -1.537 1.00 0.92 C ATOM 1180 C VAL A 78 14.977 4.472 -0.657 1.00 0.90 C ATOM 1181 O VAL A 78 14.199 5.326 -0.279 1.00 1.08 O ATOM 1182 CB VAL A 78 15.634 5.300 -2.933 1.00 1.15 C ATOM 1183 CG1 VAL A 78 16.704 5.986 -3.751 1.00 1.33 C ATOM 1184 CG2 VAL A 78 15.048 4.121 -3.705 1.00 1.14 C ATOM 0 H VAL A 78 17.039 3.168 -2.431 1.00 0.83 H new ATOM 0 HA VAL A 78 16.726 5.683 -1.105 1.00 0.92 H new ATOM 0 HB VAL A 78 14.838 6.022 -2.750 1.00 1.15 H new ATOM 0 HG11 VAL A 78 16.290 6.285 -4.714 1.00 1.33 H new ATOM 0 HG12 VAL A 78 17.059 6.868 -3.219 1.00 1.33 H new ATOM 0 HG13 VAL A 78 17.536 5.300 -3.911 1.00 1.33 H new ATOM 0 HG21 VAL A 78 14.680 4.466 -4.672 1.00 1.14 H new ATOM 0 HG22 VAL A 78 15.820 3.367 -3.858 1.00 1.14 H new ATOM 0 HG23 VAL A 78 14.225 3.688 -3.137 1.00 1.14 H new ATOM 1194 N ASN A 79 14.885 3.192 -0.291 1.00 0.78 N ATOM 1195 CA ASN A 79 13.705 2.621 0.404 1.00 0.90 C ATOM 1196 C ASN A 79 13.636 2.941 1.901 1.00 0.78 C ATOM 1197 O ASN A 79 13.069 2.184 2.685 1.00 0.96 O ATOM 1198 CB ASN A 79 13.604 1.099 0.178 1.00 1.13 C ATOM 1199 CG ASN A 79 13.383 0.697 -1.283 1.00 1.40 C ATOM 1200 OD1 ASN A 79 13.851 -0.357 -1.729 1.00 2.19 O ATOM 1201 ND2 ASN A 79 12.644 1.491 -2.029 1.00 1.22 N ATOM 0 H ASN A 79 15.624 2.511 -0.464 1.00 0.78 H new ATOM 0 HA ASN A 79 12.846 3.115 -0.050 1.00 0.90 H new ATOM 0 HB2 ASN A 79 14.518 0.628 0.539 1.00 1.13 H new ATOM 0 HB3 ASN A 79 12.784 0.707 0.780 1.00 1.13 H new ATOM 0 HD21 ASN A 79 12.446 1.242 -2.998 1.00 1.22 H new ATOM 0 HD22 ASN A 79 12.269 2.355 -1.638 1.00 1.22 H new ATOM 1208 N ASN A 80 14.218 4.031 2.292 1.00 0.64 N ATOM 1209 CA ASN A 80 14.139 4.486 3.656 1.00 0.59 C ATOM 1210 C ASN A 80 13.356 5.767 3.675 1.00 0.56 C ATOM 1211 O ASN A 80 13.670 6.697 2.952 1.00 0.88 O ATOM 1212 CB ASN A 80 15.536 4.668 4.315 1.00 0.72 C ATOM 1213 CG ASN A 80 16.441 5.678 3.624 1.00 1.05 C ATOM 1214 OD1 ASN A 80 16.450 6.871 3.951 1.00 1.96 O ATOM 1215 ND2 ASN A 80 17.223 5.213 2.691 1.00 1.43 N ATOM 0 H ASN A 80 14.764 4.636 1.678 1.00 0.64 H new ATOM 0 HA ASN A 80 13.636 3.724 4.251 1.00 0.59 H new ATOM 0 HB2 ASN A 80 15.396 4.976 5.351 1.00 0.72 H new ATOM 0 HB3 ASN A 80 16.041 3.702 4.335 1.00 0.72 H new ATOM 0 HD21 ASN A 80 17.867 5.838 2.207 1.00 1.43 H new ATOM 0 HD22 ASN A 80 17.191 4.224 2.445 1.00 1.43 H new ATOM 1222 N GLY A 81 12.313 5.804 4.431 1.00 0.46 N ATOM 1223 CA GLY A 81 11.529 6.993 4.486 1.00 0.49 C ATOM 1224 C GLY A 81 10.119 6.707 4.873 1.00 0.43 C ATOM 1225 O GLY A 81 9.786 5.568 5.245 1.00 0.40 O ATOM 0 H GLY A 81 11.984 5.035 5.014 1.00 0.46 H new ATOM 0 HA2 GLY A 81 11.969 7.686 5.203 1.00 0.49 H new ATOM 0 HA3 GLY A 81 11.547 7.486 3.514 1.00 0.49 H new ATOM 1229 N ASN A 82 9.289 7.701 4.769 1.00 0.45 N ATOM 1230 CA ASN A 82 7.919 7.597 5.199 1.00 0.44 C ATOM 1231 C ASN A 82 7.007 7.304 4.020 1.00 0.37 C ATOM 1232 O ASN A 82 6.736 8.189 3.198 1.00 0.46 O ATOM 1233 CB ASN A 82 7.454 8.893 5.906 1.00 0.56 C ATOM 1234 CG ASN A 82 8.205 9.194 7.200 1.00 1.27 C ATOM 1235 OD1 ASN A 82 9.256 9.846 7.186 1.00 2.23 O ATOM 1236 ND2 ASN A 82 7.668 8.761 8.320 1.00 1.65 N ATOM 0 H ASN A 82 9.539 8.611 4.383 1.00 0.45 H new ATOM 0 HA ASN A 82 7.861 6.773 5.910 1.00 0.44 H new ATOM 0 HB2 ASN A 82 7.577 9.733 5.222 1.00 0.56 H new ATOM 0 HB3 ASN A 82 6.389 8.814 6.125 1.00 0.56 H new ATOM 0 HD21 ASN A 82 8.120 8.961 9.213 1.00 1.65 H new ATOM 0 HD22 ASN A 82 6.800 8.226 8.296 1.00 1.65 H new ATOM 1243 N TYR A 83 6.556 6.078 3.922 1.00 0.29 N ATOM 1244 CA TYR A 83 5.615 5.681 2.894 1.00 0.27 C ATOM 1245 C TYR A 83 4.207 5.976 3.387 1.00 0.28 C ATOM 1246 O TYR A 83 3.726 5.364 4.339 1.00 0.47 O ATOM 1247 CB TYR A 83 5.750 4.182 2.543 1.00 0.34 C ATOM 1248 CG TYR A 83 7.007 3.795 1.771 1.00 0.38 C ATOM 1249 CD1 TYR A 83 7.033 3.877 0.382 1.00 0.60 C ATOM 1250 CD2 TYR A 83 8.146 3.322 2.419 1.00 0.49 C ATOM 1251 CE1 TYR A 83 8.156 3.504 -0.341 1.00 0.69 C ATOM 1252 CE2 TYR A 83 9.273 2.954 1.699 1.00 0.55 C ATOM 1253 CZ TYR A 83 9.271 3.046 0.324 1.00 0.60 C ATOM 1254 OH TYR A 83 10.391 2.668 -0.385 1.00 0.69 O ATOM 0 H TYR A 83 6.829 5.323 4.552 1.00 0.29 H new ATOM 0 HA TYR A 83 5.828 6.246 1.986 1.00 0.27 H new ATOM 0 HB2 TYR A 83 5.723 3.607 3.469 1.00 0.34 H new ATOM 0 HB3 TYR A 83 4.880 3.885 1.957 1.00 0.34 H new ATOM 0 HD1 TYR A 83 6.161 4.238 -0.143 1.00 0.60 H new ATOM 0 HD2 TYR A 83 8.152 3.241 3.496 1.00 0.49 H new ATOM 0 HE1 TYR A 83 8.156 3.572 -1.419 1.00 0.69 H new ATOM 0 HE2 TYR A 83 10.151 2.596 2.215 1.00 0.55 H new ATOM 0 HH TYR A 83 10.446 3.190 -1.213 1.00 0.69 H new ATOM 1264 N THR A 84 3.581 6.932 2.786 1.00 0.22 N ATOM 1265 CA THR A 84 2.254 7.336 3.160 1.00 0.23 C ATOM 1266 C THR A 84 1.252 6.767 2.170 1.00 0.22 C ATOM 1267 O THR A 84 1.466 6.842 0.970 1.00 0.26 O ATOM 1268 CB THR A 84 2.184 8.865 3.160 1.00 0.27 C ATOM 1269 OG1 THR A 84 3.283 9.361 3.944 1.00 0.34 O ATOM 1270 CG2 THR A 84 0.866 9.366 3.745 1.00 0.33 C ATOM 0 H THR A 84 3.975 7.465 2.011 1.00 0.22 H new ATOM 0 HA THR A 84 2.016 6.961 4.155 1.00 0.23 H new ATOM 0 HB THR A 84 2.243 9.226 2.133 1.00 0.27 H new ATOM 0 HG1 THR A 84 3.260 10.341 3.957 1.00 0.34 H new ATOM 0 HG21 THR A 84 0.852 10.456 3.729 1.00 0.33 H new ATOM 0 HG22 THR A 84 0.036 8.983 3.151 1.00 0.33 H new ATOM 0 HG23 THR A 84 0.768 9.017 4.773 1.00 0.33 H new ATOM 1278 N LEU A 85 0.193 6.195 2.662 1.00 0.20 N ATOM 1279 CA LEU A 85 -0.803 5.623 1.806 1.00 0.19 C ATOM 1280 C LEU A 85 -2.048 6.483 1.821 1.00 0.18 C ATOM 1281 O LEU A 85 -2.672 6.664 2.869 1.00 0.19 O ATOM 1282 CB LEU A 85 -1.124 4.183 2.229 1.00 0.20 C ATOM 1283 CG LEU A 85 -2.117 3.425 1.353 1.00 0.20 C ATOM 1284 CD1 LEU A 85 -1.613 3.368 -0.054 1.00 0.21 C ATOM 1285 CD2 LEU A 85 -2.318 2.024 1.873 1.00 0.22 C ATOM 0 H LEU A 85 -0.004 6.112 3.659 1.00 0.20 H new ATOM 0 HA LEU A 85 -0.415 5.589 0.788 1.00 0.19 H new ATOM 0 HB2 LEU A 85 -0.192 3.619 2.256 1.00 0.20 H new ATOM 0 HB3 LEU A 85 -1.513 4.204 3.247 1.00 0.20 H new ATOM 0 HG LEU A 85 -3.072 3.951 1.377 1.00 0.20 H new ATOM 0 HD11 LEU A 85 -2.326 2.826 -0.674 1.00 0.21 H new ATOM 0 HD12 LEU A 85 -1.494 4.381 -0.439 1.00 0.21 H new ATOM 0 HD13 LEU A 85 -0.651 2.856 -0.075 1.00 0.21 H new ATOM 0 HD21 LEU A 85 -3.029 1.498 1.236 1.00 0.22 H new ATOM 0 HD22 LEU A 85 -1.366 1.494 1.868 1.00 0.22 H new ATOM 0 HD23 LEU A 85 -2.705 2.066 2.891 1.00 0.22 H new ATOM 1297 N LEU A 86 -2.354 7.047 0.683 1.00 0.20 N ATOM 1298 CA LEU A 86 -3.531 7.855 0.495 1.00 0.22 C ATOM 1299 C LEU A 86 -4.585 7.001 -0.181 1.00 0.22 C ATOM 1300 O LEU A 86 -4.284 6.305 -1.154 1.00 0.27 O ATOM 1301 CB LEU A 86 -3.249 9.095 -0.412 1.00 0.28 C ATOM 1302 CG LEU A 86 -2.258 10.189 0.075 1.00 0.32 C ATOM 1303 CD1 LEU A 86 -2.649 10.745 1.423 1.00 0.36 C ATOM 1304 CD2 LEU A 86 -0.815 9.711 0.079 1.00 0.32 C ATOM 0 H LEU A 86 -1.781 6.956 -0.156 1.00 0.20 H new ATOM 0 HA LEU A 86 -3.860 8.215 1.470 1.00 0.22 H new ATOM 0 HB2 LEU A 86 -2.881 8.723 -1.368 1.00 0.28 H new ATOM 0 HB3 LEU A 86 -4.205 9.582 -0.605 1.00 0.28 H new ATOM 0 HG LEU A 86 -2.324 10.999 -0.651 1.00 0.32 H new ATOM 0 HD11 LEU A 86 -1.930 11.506 1.725 1.00 0.36 H new ATOM 0 HD12 LEU A 86 -3.642 11.189 1.359 1.00 0.36 H new ATOM 0 HD13 LEU A 86 -2.658 9.941 2.159 1.00 0.36 H new ATOM 0 HD21 LEU A 86 -0.166 10.515 0.428 1.00 0.32 H new ATOM 0 HD22 LEU A 86 -0.718 8.852 0.743 1.00 0.32 H new ATOM 0 HD23 LEU A 86 -0.524 9.423 -0.931 1.00 0.32 H new ATOM 1316 N ALA A 87 -5.775 7.017 0.338 1.00 0.21 N ATOM 1317 CA ALA A 87 -6.879 6.309 -0.257 1.00 0.23 C ATOM 1318 C ALA A 87 -8.057 7.244 -0.379 1.00 0.29 C ATOM 1319 O ALA A 87 -8.477 7.841 0.613 1.00 0.31 O ATOM 1320 CB ALA A 87 -7.251 5.115 0.594 1.00 0.24 C ATOM 0 H ALA A 87 -6.014 7.523 1.191 1.00 0.21 H new ATOM 0 HA ALA A 87 -6.592 5.953 -1.246 1.00 0.23 H new ATOM 0 HB1 ALA A 87 -8.087 4.587 0.135 1.00 0.24 H new ATOM 0 HB2 ALA A 87 -6.396 4.443 0.672 1.00 0.24 H new ATOM 0 HB3 ALA A 87 -7.539 5.453 1.590 1.00 0.24 H new ATOM 1326 N ALA A 88 -8.572 7.399 -1.572 1.00 0.36 N ATOM 1327 CA ALA A 88 -9.699 8.282 -1.788 1.00 0.45 C ATOM 1328 C ALA A 88 -10.858 7.546 -2.443 1.00 0.37 C ATOM 1329 O ALA A 88 -10.663 6.790 -3.407 1.00 0.37 O ATOM 1330 CB ALA A 88 -9.281 9.481 -2.634 1.00 0.61 C ATOM 0 H ALA A 88 -8.232 6.928 -2.410 1.00 0.36 H new ATOM 0 HA ALA A 88 -10.037 8.640 -0.816 1.00 0.45 H new ATOM 0 HB1 ALA A 88 -10.139 10.135 -2.787 1.00 0.61 H new ATOM 0 HB2 ALA A 88 -8.493 10.031 -2.121 1.00 0.61 H new ATOM 0 HB3 ALA A 88 -8.912 9.134 -3.599 1.00 0.61 H new ATOM 1336 N ASN A 89 -12.040 7.735 -1.889 1.00 0.49 N ATOM 1337 CA ASN A 89 -13.281 7.183 -2.426 1.00 0.58 C ATOM 1338 C ASN A 89 -14.406 8.164 -2.044 1.00 0.57 C ATOM 1339 O ASN A 89 -14.092 9.144 -1.366 1.00 0.55 O ATOM 1340 CB ASN A 89 -13.561 5.704 -1.933 1.00 0.86 C ATOM 1341 CG ASN A 89 -13.914 5.508 -0.452 1.00 0.59 C ATOM 1342 OD1 ASN A 89 -14.420 6.396 0.235 1.00 0.71 O ATOM 1343 ND2 ASN A 89 -13.730 4.297 0.014 1.00 1.18 N ATOM 0 H ASN A 89 -12.173 8.284 -1.040 1.00 0.49 H new ATOM 0 HA ASN A 89 -13.214 7.088 -3.510 1.00 0.58 H new ATOM 0 HB2 ASN A 89 -14.378 5.299 -2.530 1.00 0.86 H new ATOM 0 HB3 ASN A 89 -12.678 5.103 -2.151 1.00 0.86 H new ATOM 0 HD21 ASN A 89 -14.008 4.070 0.969 1.00 1.18 H new ATOM 0 HD22 ASN A 89 -13.308 3.581 -0.578 1.00 1.18 H new ATOM 1350 N PRO A 90 -15.707 7.966 -2.458 1.00 0.64 N ATOM 1351 CA PRO A 90 -16.822 8.902 -2.126 1.00 0.68 C ATOM 1352 C PRO A 90 -16.883 9.385 -0.650 1.00 0.56 C ATOM 1353 O PRO A 90 -17.324 10.514 -0.380 1.00 0.63 O ATOM 1354 CB PRO A 90 -18.059 8.083 -2.464 1.00 0.81 C ATOM 1355 CG PRO A 90 -17.631 7.269 -3.628 1.00 1.00 C ATOM 1356 CD PRO A 90 -16.207 6.868 -3.339 1.00 0.74 C ATOM 0 HA PRO A 90 -16.707 9.835 -2.678 1.00 0.68 H new ATOM 0 HB2 PRO A 90 -18.365 7.456 -1.627 1.00 0.81 H new ATOM 0 HB3 PRO A 90 -18.907 8.721 -2.711 1.00 0.81 H new ATOM 0 HG2 PRO A 90 -18.268 6.393 -3.750 1.00 1.00 H new ATOM 0 HG3 PRO A 90 -17.697 7.842 -4.553 1.00 1.00 H new ATOM 0 HD2 PRO A 90 -16.156 5.900 -2.841 1.00 0.74 H new ATOM 0 HD3 PRO A 90 -15.619 6.788 -4.253 1.00 0.74 H new ATOM 1364 N CYS A 91 -16.433 8.565 0.289 1.00 0.50 N ATOM 1365 CA CYS A 91 -16.470 8.942 1.696 1.00 0.50 C ATOM 1366 C CYS A 91 -15.399 9.954 2.055 1.00 0.46 C ATOM 1367 O CYS A 91 -15.526 10.660 3.052 1.00 0.61 O ATOM 1368 CB CYS A 91 -16.355 7.739 2.604 1.00 0.61 C ATOM 1369 SG CYS A 91 -17.803 6.637 2.627 1.00 1.10 S ATOM 0 H CYS A 91 -16.041 7.641 0.105 1.00 0.50 H new ATOM 0 HA CYS A 91 -17.443 9.409 1.850 1.00 0.50 H new ATOM 0 HB2 CYS A 91 -15.483 7.159 2.302 1.00 0.61 H new ATOM 0 HB3 CYS A 91 -16.169 8.088 3.620 1.00 0.61 H new ATOM 1374 N GLY A 92 -14.366 10.037 1.262 1.00 0.46 N ATOM 1375 CA GLY A 92 -13.327 10.972 1.541 1.00 0.58 C ATOM 1376 C GLY A 92 -11.967 10.349 1.477 1.00 0.49 C ATOM 1377 O GLY A 92 -11.798 9.253 0.906 1.00 0.59 O ATOM 0 H GLY A 92 -14.227 9.470 0.425 1.00 0.46 H new ATOM 0 HA2 GLY A 92 -13.381 11.795 0.828 1.00 0.58 H new ATOM 0 HA3 GLY A 92 -13.482 11.399 2.532 1.00 0.58 H new ATOM 1381 N GLN A 93 -11.015 11.014 2.081 1.00 0.46 N ATOM 1382 CA GLN A 93 -9.632 10.607 2.060 1.00 0.42 C ATOM 1383 C GLN A 93 -9.249 9.898 3.348 1.00 0.41 C ATOM 1384 O GLN A 93 -9.610 10.329 4.442 1.00 0.56 O ATOM 1385 CB GLN A 93 -8.733 11.839 1.863 1.00 0.53 C ATOM 1386 CG GLN A 93 -7.231 11.558 1.940 1.00 0.58 C ATOM 1387 CD GLN A 93 -6.393 12.815 1.807 1.00 0.92 C ATOM 1388 OE1 GLN A 93 -6.776 13.765 1.131 1.00 1.57 O ATOM 1389 NE2 GLN A 93 -5.268 12.844 2.464 1.00 1.33 N ATOM 0 H GLN A 93 -11.182 11.869 2.611 1.00 0.46 H new ATOM 0 HA GLN A 93 -9.494 9.912 1.232 1.00 0.42 H new ATOM 0 HB2 GLN A 93 -8.956 12.282 0.892 1.00 0.53 H new ATOM 0 HB3 GLN A 93 -8.988 12.582 2.619 1.00 0.53 H new ATOM 0 HG2 GLN A 93 -7.004 11.074 2.890 1.00 0.58 H new ATOM 0 HG3 GLN A 93 -6.956 10.858 1.152 1.00 0.58 H new ATOM 0 HE21 GLN A 93 -4.979 12.037 3.017 1.00 1.33 H new ATOM 0 HE22 GLN A 93 -4.676 13.674 2.426 1.00 1.33 H new ATOM 1398 N ALA A 94 -8.580 8.803 3.201 1.00 0.30 N ATOM 1399 CA ALA A 94 -7.987 8.095 4.294 1.00 0.33 C ATOM 1400 C ALA A 94 -6.500 8.099 4.054 1.00 0.31 C ATOM 1401 O ALA A 94 -6.069 8.092 2.888 1.00 0.30 O ATOM 1402 CB ALA A 94 -8.492 6.678 4.334 1.00 0.37 C ATOM 0 H ALA A 94 -8.425 8.362 2.295 1.00 0.30 H new ATOM 0 HA ALA A 94 -8.238 8.566 5.244 1.00 0.33 H new ATOM 0 HB1 ALA A 94 -8.032 6.151 5.170 1.00 0.37 H new ATOM 0 HB2 ALA A 94 -9.575 6.681 4.458 1.00 0.37 H new ATOM 0 HB3 ALA A 94 -8.235 6.174 3.402 1.00 0.37 H new ATOM 1408 N SER A 95 -5.722 8.129 5.098 1.00 0.36 N ATOM 1409 CA SER A 95 -4.298 8.158 4.960 1.00 0.37 C ATOM 1410 C SER A 95 -3.600 7.755 6.246 1.00 0.38 C ATOM 1411 O SER A 95 -4.038 8.101 7.347 1.00 0.57 O ATOM 1412 CB SER A 95 -3.825 9.545 4.486 1.00 0.43 C ATOM 1413 OG SER A 95 -4.295 10.589 5.332 1.00 0.50 O ATOM 0 H SER A 95 -6.056 8.134 6.062 1.00 0.36 H new ATOM 0 HA SER A 95 -4.026 7.424 4.201 1.00 0.37 H new ATOM 0 HB2 SER A 95 -2.736 9.566 4.457 1.00 0.43 H new ATOM 0 HB3 SER A 95 -4.175 9.719 3.468 1.00 0.43 H new ATOM 0 HG SER A 95 -3.972 11.452 4.998 1.00 0.50 H new ATOM 1419 N ALA A 96 -2.536 7.024 6.094 1.00 0.27 N ATOM 1420 CA ALA A 96 -1.689 6.609 7.180 1.00 0.27 C ATOM 1421 C ALA A 96 -0.293 6.557 6.629 1.00 0.23 C ATOM 1422 O ALA A 96 -0.127 6.567 5.398 1.00 0.26 O ATOM 1423 CB ALA A 96 -2.103 5.240 7.702 1.00 0.30 C ATOM 0 H ALA A 96 -2.221 6.688 5.184 1.00 0.27 H new ATOM 0 HA ALA A 96 -1.763 7.303 8.018 1.00 0.27 H new ATOM 0 HB1 ALA A 96 -1.447 4.950 8.522 1.00 0.30 H new ATOM 0 HB2 ALA A 96 -3.132 5.282 8.058 1.00 0.30 H new ATOM 0 HB3 ALA A 96 -2.027 4.506 6.900 1.00 0.30 H new ATOM 1429 N SER A 97 0.696 6.505 7.466 1.00 0.26 N ATOM 1430 CA SER A 97 2.044 6.468 6.993 1.00 0.28 C ATOM 1431 C SER A 97 2.861 5.427 7.744 1.00 0.25 C ATOM 1432 O SER A 97 2.695 5.241 8.949 1.00 0.38 O ATOM 1433 CB SER A 97 2.655 7.864 7.081 1.00 0.41 C ATOM 1434 OG SER A 97 2.485 8.401 8.384 1.00 1.26 O ATOM 0 H SER A 97 0.595 6.487 8.481 1.00 0.26 H new ATOM 0 HA SER A 97 2.051 6.164 5.946 1.00 0.28 H new ATOM 0 HB2 SER A 97 3.716 7.819 6.836 1.00 0.41 H new ATOM 0 HB3 SER A 97 2.186 8.519 6.347 1.00 0.41 H new ATOM 0 HG SER A 97 2.884 9.295 8.424 1.00 1.26 H new ATOM 1440 N ILE A 98 3.692 4.732 7.028 1.00 0.25 N ATOM 1441 CA ILE A 98 4.531 3.714 7.587 1.00 0.28 C ATOM 1442 C ILE A 98 5.966 4.031 7.188 1.00 0.28 C ATOM 1443 O ILE A 98 6.255 4.304 6.019 1.00 0.30 O ATOM 1444 CB ILE A 98 4.047 2.287 7.092 1.00 0.36 C ATOM 1445 CG1 ILE A 98 4.786 1.092 7.772 1.00 0.72 C ATOM 1446 CG2 ILE A 98 4.101 2.162 5.568 1.00 0.39 C ATOM 1447 CD1 ILE A 98 6.198 0.802 7.289 1.00 0.37 C ATOM 0 H ILE A 98 3.809 4.858 6.023 1.00 0.25 H new ATOM 0 HA ILE A 98 4.473 3.693 8.675 1.00 0.28 H new ATOM 0 HB ILE A 98 3.006 2.220 7.409 1.00 0.36 H new ATOM 0 HG12 ILE A 98 4.825 1.281 8.845 1.00 0.72 H new ATOM 0 HG13 ILE A 98 4.185 0.194 7.628 1.00 0.72 H new ATOM 0 HG21 ILE A 98 3.761 1.169 5.272 1.00 0.39 H new ATOM 0 HG22 ILE A 98 3.455 2.916 5.118 1.00 0.39 H new ATOM 0 HG23 ILE A 98 5.125 2.312 5.227 1.00 0.39 H new ATOM 0 HD11 ILE A 98 6.602 -0.049 7.837 1.00 0.37 H new ATOM 0 HD12 ILE A 98 6.178 0.571 6.224 1.00 0.37 H new ATOM 0 HD13 ILE A 98 6.827 1.676 7.459 1.00 0.37 H new ATOM 1459 N MET A 99 6.838 4.089 8.139 1.00 0.34 N ATOM 1460 CA MET A 99 8.197 4.372 7.835 1.00 0.41 C ATOM 1461 C MET A 99 9.005 3.103 7.832 1.00 0.40 C ATOM 1462 O MET A 99 8.930 2.301 8.767 1.00 0.51 O ATOM 1463 CB MET A 99 8.796 5.395 8.800 1.00 0.59 C ATOM 1464 CG MET A 99 10.163 5.869 8.357 1.00 0.85 C ATOM 1465 SD MET A 99 10.827 7.195 9.357 1.00 1.25 S ATOM 1466 CE MET A 99 12.197 7.678 8.316 1.00 1.18 C ATOM 0 H MET A 99 6.634 3.945 9.128 1.00 0.34 H new ATOM 0 HA MET A 99 8.229 4.813 6.839 1.00 0.41 H new ATOM 0 HB2 MET A 99 8.126 6.251 8.881 1.00 0.59 H new ATOM 0 HB3 MET A 99 8.871 4.953 9.794 1.00 0.59 H new ATOM 0 HG2 MET A 99 10.855 5.027 8.381 1.00 0.85 H new ATOM 0 HG3 MET A 99 10.103 6.203 7.321 1.00 0.85 H new ATOM 0 HE1 MET A 99 12.892 8.290 8.891 1.00 1.18 H new ATOM 0 HE2 MET A 99 12.711 6.787 7.954 1.00 1.18 H new ATOM 0 HE3 MET A 99 11.825 8.252 7.467 1.00 1.18 H new ATOM 1476 N ALA A 100 9.724 2.898 6.779 1.00 0.42 N ATOM 1477 CA ALA A 100 10.598 1.779 6.665 1.00 0.48 C ATOM 1478 C ALA A 100 11.986 2.318 6.527 1.00 0.48 C ATOM 1479 O ALA A 100 12.197 3.309 5.815 1.00 0.57 O ATOM 1480 CB ALA A 100 10.225 0.914 5.472 1.00 0.58 C ATOM 0 H ALA A 100 9.721 3.511 5.963 1.00 0.42 H new ATOM 0 HA ALA A 100 10.521 1.141 7.546 1.00 0.48 H new ATOM 0 HB1 ALA A 100 10.908 0.067 5.409 1.00 0.58 H new ATOM 0 HB2 ALA A 100 9.205 0.549 5.592 1.00 0.58 H new ATOM 0 HB3 ALA A 100 10.294 1.505 4.559 1.00 0.58 H new ATOM 1486 N ALA A 101 12.913 1.744 7.223 1.00 0.56 N ATOM 1487 CA ALA A 101 14.260 2.218 7.168 1.00 0.65 C ATOM 1488 C ALA A 101 15.152 1.211 6.480 1.00 0.66 C ATOM 1489 O ALA A 101 15.537 0.200 7.060 1.00 0.77 O ATOM 1490 CB ALA A 101 14.771 2.533 8.565 1.00 0.84 C ATOM 0 H ALA A 101 12.763 0.944 7.838 1.00 0.56 H new ATOM 0 HA ALA A 101 14.279 3.138 6.584 1.00 0.65 H new ATOM 0 HB1 ALA A 101 15.798 2.893 8.504 1.00 0.84 H new ATOM 0 HB2 ALA A 101 14.144 3.301 9.017 1.00 0.84 H new ATOM 0 HB3 ALA A 101 14.738 1.631 9.176 1.00 0.84 H new ATOM 1496 N PHE A 102 15.443 1.469 5.239 1.00 0.75 N ATOM 1497 CA PHE A 102 16.363 0.667 4.504 1.00 0.87 C ATOM 1498 C PHE A 102 17.369 1.575 3.827 1.00 1.20 C ATOM 1499 O PHE A 102 17.202 1.993 2.671 1.00 2.05 O ATOM 1500 CB PHE A 102 15.651 -0.240 3.485 1.00 0.97 C ATOM 1501 CG PHE A 102 16.585 -1.207 2.805 1.00 1.69 C ATOM 1502 CD1 PHE A 102 17.100 -2.283 3.503 1.00 2.20 C ATOM 1503 CD2 PHE A 102 16.952 -1.039 1.480 1.00 2.45 C ATOM 1504 CE1 PHE A 102 17.963 -3.174 2.897 1.00 3.25 C ATOM 1505 CE2 PHE A 102 17.814 -1.926 0.867 1.00 3.51 C ATOM 1506 CZ PHE A 102 18.320 -2.996 1.577 1.00 3.86 C ATOM 0 H PHE A 102 15.045 2.245 4.710 1.00 0.75 H new ATOM 0 HA PHE A 102 16.880 0.000 5.194 1.00 0.87 H new ATOM 0 HB2 PHE A 102 14.864 -0.799 3.992 1.00 0.97 H new ATOM 0 HB3 PHE A 102 15.167 0.380 2.731 1.00 0.97 H new ATOM 0 HD1 PHE A 102 16.823 -2.429 4.537 1.00 2.20 H new ATOM 0 HD2 PHE A 102 16.559 -0.204 0.920 1.00 2.45 H new ATOM 0 HE1 PHE A 102 18.358 -4.009 3.456 1.00 3.25 H new ATOM 0 HE2 PHE A 102 18.092 -1.783 -0.167 1.00 3.51 H new ATOM 0 HZ PHE A 102 18.994 -3.692 1.100 1.00 3.86 H new ATOM 1516 N MET A 103 18.352 1.956 4.571 1.00 1.13 N ATOM 1517 CA MET A 103 19.417 2.753 4.057 1.00 1.42 C ATOM 1518 C MET A 103 20.649 1.887 3.899 1.00 1.77 C ATOM 1519 O MET A 103 21.417 1.668 4.833 1.00 2.31 O ATOM 1520 CB MET A 103 19.673 4.010 4.942 1.00 1.94 C ATOM 1521 CG MET A 103 19.870 3.768 6.454 1.00 2.66 C ATOM 1522 SD MET A 103 18.369 3.171 7.290 1.00 3.68 S ATOM 1523 CE MET A 103 18.962 3.011 8.974 1.00 4.72 C ATOM 0 H MET A 103 18.441 1.722 5.560 1.00 1.13 H new ATOM 0 HA MET A 103 19.142 3.139 3.076 1.00 1.42 H new ATOM 0 HB2 MET A 103 20.558 4.519 4.561 1.00 1.94 H new ATOM 0 HB3 MET A 103 18.833 4.693 4.814 1.00 1.94 H new ATOM 0 HG2 MET A 103 20.670 3.042 6.597 1.00 2.66 H new ATOM 0 HG3 MET A 103 20.194 4.696 6.924 1.00 2.66 H new ATOM 0 HE1 MET A 103 18.154 2.653 9.612 1.00 4.72 H new ATOM 0 HE2 MET A 103 19.789 2.301 9.003 1.00 4.72 H new ATOM 0 HE3 MET A 103 19.304 3.982 9.333 1.00 4.72 H new ATOM 1533 N ASP A 104 20.819 1.404 2.713 1.00 2.30 N ATOM 1534 CA ASP A 104 21.911 0.512 2.379 1.00 3.13 C ATOM 1535 C ASP A 104 23.016 1.309 1.739 1.00 2.91 C ATOM 1536 O ASP A 104 22.758 2.372 1.170 1.00 2.44 O ATOM 1537 CB ASP A 104 21.408 -0.572 1.409 1.00 4.12 C ATOM 1538 CG ASP A 104 22.465 -1.591 1.021 1.00 4.81 C ATOM 1539 OD1 ASP A 104 22.648 -2.577 1.757 1.00 5.16 O ATOM 1540 OD2 ASP A 104 23.092 -1.447 -0.040 1.00 5.33 O ATOM 0 H ASP A 104 20.202 1.613 1.928 1.00 2.30 H new ATOM 0 HA ASP A 104 22.290 0.030 3.281 1.00 3.13 H new ATOM 0 HB2 ASP A 104 20.567 -1.092 1.866 1.00 4.12 H new ATOM 0 HB3 ASP A 104 21.032 -0.091 0.506 1.00 4.12 H new ATOM 1545 N ASN A 105 24.222 0.855 1.859 1.00 3.53 N ATOM 1546 CA ASN A 105 25.319 1.497 1.184 1.00 3.62 C ATOM 1547 C ASN A 105 25.749 0.612 0.033 1.00 4.15 C ATOM 1548 O ASN A 105 26.461 -0.377 0.239 1.00 4.99 O ATOM 1549 CB ASN A 105 26.486 1.754 2.133 1.00 4.36 C ATOM 1550 CG ASN A 105 27.644 2.469 1.449 1.00 4.74 C ATOM 1551 OD1 ASN A 105 27.678 3.703 1.381 1.00 4.89 O ATOM 1552 ND2 ASN A 105 28.608 1.725 0.977 1.00 5.34 N ATOM 0 H ASN A 105 24.479 0.041 2.418 1.00 3.53 H new ATOM 0 HA ASN A 105 24.996 2.469 0.811 1.00 3.62 H new ATOM 0 HB2 ASN A 105 26.140 2.352 2.976 1.00 4.36 H new ATOM 0 HB3 ASN A 105 26.837 0.805 2.538 1.00 4.36 H new ATOM 0 HD21 ASN A 105 29.419 2.160 0.537 1.00 5.34 H new ATOM 0 HD22 ASN A 105 28.550 0.709 1.049 1.00 5.34 H new ATOM 1559 N PRO A 106 25.314 0.936 -1.194 1.00 3.83 N ATOM 1560 CA PRO A 106 25.578 0.118 -2.362 1.00 4.48 C ATOM 1561 C PRO A 106 27.039 0.142 -2.757 1.00 5.07 C ATOM 1562 O PRO A 106 27.609 1.220 -2.969 1.00 4.97 O ATOM 1563 CB PRO A 106 24.724 0.751 -3.475 1.00 4.12 C ATOM 1564 CG PRO A 106 23.847 1.735 -2.789 1.00 3.35 C ATOM 1565 CD PRO A 106 24.562 2.143 -1.546 1.00 3.04 C ATOM 0 HA PRO A 106 25.337 -0.928 -2.173 1.00 4.48 H new ATOM 0 HB2 PRO A 106 25.351 1.238 -4.222 1.00 4.12 H new ATOM 0 HB3 PRO A 106 24.135 -0.004 -3.996 1.00 4.12 H new ATOM 0 HG2 PRO A 106 23.657 2.597 -3.428 1.00 3.35 H new ATOM 0 HG3 PRO A 106 22.879 1.294 -2.553 1.00 3.35 H new ATOM 0 HD2 PRO A 106 25.221 2.994 -1.719 1.00 3.04 H new ATOM 0 HD3 PRO A 106 23.868 2.432 -0.757 1.00 3.04 H new ATOM 1573 N PHE A 107 27.624 -1.045 -2.834 1.00 5.92 N ATOM 1574 CA PHE A 107 29.008 -1.266 -3.251 1.00 6.71 C ATOM 1575 C PHE A 107 29.979 -0.512 -2.337 1.00 7.07 C ATOM 1576 O PHE A 107 30.180 -0.962 -1.200 1.00 7.41 O ATOM 1577 CB PHE A 107 29.211 -0.876 -4.726 1.00 7.09 C ATOM 1578 CG PHE A 107 28.270 -1.559 -5.691 1.00 7.78 C ATOM 1579 CD1 PHE A 107 27.171 -0.882 -6.203 1.00 8.28 C ATOM 1580 CD2 PHE A 107 28.482 -2.869 -6.080 1.00 8.18 C ATOM 1581 CE1 PHE A 107 26.305 -1.499 -7.081 1.00 9.14 C ATOM 1582 CE2 PHE A 107 27.617 -3.494 -6.960 1.00 9.05 C ATOM 1583 CZ PHE A 107 26.527 -2.807 -7.461 1.00 9.52 C ATOM 1584 OXT PHE A 107 30.528 0.540 -2.741 1.00 7.30 O ATOM 0 H PHE A 107 27.136 -1.910 -2.601 1.00 5.92 H new ATOM 0 HA PHE A 107 29.223 -2.331 -3.160 1.00 6.71 H new ATOM 0 HB2 PHE A 107 29.090 0.203 -4.823 1.00 7.09 H new ATOM 0 HB3 PHE A 107 30.237 -1.109 -5.012 1.00 7.09 H new ATOM 0 HD1 PHE A 107 26.992 0.142 -5.910 1.00 8.28 H new ATOM 0 HD2 PHE A 107 29.332 -3.410 -5.692 1.00 8.18 H new ATOM 0 HE1 PHE A 107 25.454 -0.959 -7.471 1.00 9.14 H new ATOM 0 HE2 PHE A 107 27.793 -4.518 -7.255 1.00 9.05 H new ATOM 0 HZ PHE A 107 25.850 -3.293 -8.148 1.00 9.52 H new TER 1594 PHE A 107