USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 798 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 65 HIS :FLIP no HD1:sc= -0.0605 F(o=-0.83,f=-0.06) USER MOD Set 1.2: A 67 GLN :FLIP amide:sc= 0 F(o=-1.1,f=-0.06) USER MOD Set 2.1: A 23 LYS NZ :NH3+ -176:sc= 1.22 (180deg=0) USER MOD Set 2.2: A 25 SER OG : rot -107:sc= 2.21 USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0918 (180deg=0) USER MOD Single : A 5 SER OG : rot -33:sc= 0.0167 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -34:sc= 0.402 USER MOD Single : A 10 GLN :FLIP amide:sc= -0.0117 F(o=-1.3!,f=-0.012) USER MOD Single : A 13 THR OG1 : rot -22:sc= 0.623 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 CYS SG : rot 180:sc= 0.067 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 147:sc= -0.0173 (180deg=-0.845) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= -0.347 X(o=-0.35,f=0.14) USER MOD Single : A 38 MET CE :methyl 170:sc= -1.33 (180deg=-1.66) USER MOD Single : A 40 SER OG : rot 60:sc= 0.119 USER MOD Single : A 42 LYS NZ :NH3+ 155:sc= -0.174 (180deg=-0.769) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.0139 F(o=-1.1,f=-0.014) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0454 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.924 X(o=-0.92,f=-0.55) USER MOD Single : A 57 GLN : amide:sc= -0.0959 K(o=-0.096,f=-0.65) USER MOD Single : A 66 THR OG1 : rot 1:sc= 0.227! USER MOD Single : A 68 TYR OH : rot 168:sc= 0.286 USER MOD Single : A 70 GLN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 164:sc= -0.079 (180deg=-0.339) USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -0.337 X(o=-0.34,f=-0.014) USER MOD Single : A 86 GLN : amide:sc= -3.29! C(o=-3.3!,f=-6.7!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 174:sc=-0.000933 (180deg=-0.0494) USER MOD Single : A 99 SER OG : rot 180:sc= 0.00408 USER MOD Single : A 100 SER OG : rot 54:sc= 0.117 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 54:sc= 1.32 USER MOD Single : A 108 SER OG : rot 105:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -78.996 -24.824 -7.812 1.00 39.32 N ATOM 2 CA GLY A 1 -77.837 -24.936 -6.895 1.00 39.39 C ATOM 3 C GLY A 1 -76.780 -23.895 -7.191 1.00 39.02 C ATOM 4 O GLY A 1 -76.766 -23.322 -8.282 1.00 38.60 O ATOM 0 H1 GLY A 1 -79.835 -24.524 -7.276 1.00 39.32 H new ATOM 0 H2 GLY A 1 -78.788 -24.122 -8.550 1.00 39.32 H new ATOM 0 H3 GLY A 1 -79.179 -25.747 -8.254 1.00 39.32 H new ATOM 0 HA2 GLY A 1 -78.177 -24.825 -5.865 1.00 39.39 H new ATOM 0 HA3 GLY A 1 -77.401 -25.931 -6.981 1.00 39.39 H new ATOM 10 N PRO A 2 -75.885 -23.619 -6.231 1.00 39.23 N ATOM 11 CA PRO A 2 -74.813 -22.629 -6.398 1.00 38.99 C ATOM 12 C PRO A 2 -73.771 -23.089 -7.414 1.00 38.70 C ATOM 13 O PRO A 2 -73.497 -24.286 -7.539 1.00 39.16 O ATOM 14 CB PRO A 2 -74.189 -22.520 -4.994 1.00 39.44 C ATOM 15 CG PRO A 2 -75.152 -23.203 -4.070 1.00 39.88 C ATOM 16 CD PRO A 2 -75.849 -24.239 -4.900 1.00 39.77 C ATOM 0 HA PRO A 2 -75.189 -21.678 -6.776 1.00 38.99 H new ATOM 0 HB2 PRO A 2 -73.210 -22.998 -4.962 1.00 39.44 H new ATOM 0 HB3 PRO A 2 -74.045 -21.478 -4.709 1.00 39.44 H new ATOM 0 HG2 PRO A 2 -74.630 -23.661 -3.230 1.00 39.88 H new ATOM 0 HG3 PRO A 2 -75.865 -22.492 -3.653 1.00 39.88 H new ATOM 0 HD2 PRO A 2 -75.305 -25.184 -4.908 1.00 39.77 H new ATOM 0 HD3 PRO A 2 -76.850 -24.451 -4.525 1.00 39.77 H new ATOM 24 N LEU A 3 -73.187 -22.140 -8.130 1.00 37.99 N ATOM 25 CA LEU A 3 -72.189 -22.467 -9.141 1.00 37.71 C ATOM 26 C LEU A 3 -70.802 -22.497 -8.518 1.00 36.95 C ATOM 27 O LEU A 3 -69.888 -23.144 -9.030 1.00 36.88 O ATOM 28 CB LEU A 3 -72.221 -21.469 -10.305 1.00 37.68 C ATOM 29 CG LEU A 3 -73.419 -21.583 -11.264 1.00 38.25 C ATOM 30 CD1 LEU A 3 -73.563 -23.011 -11.773 1.00 38.55 C ATOM 31 CD2 LEU A 3 -74.707 -21.120 -10.599 1.00 38.67 C ATOM 0 H LEU A 3 -73.384 -21.144 -8.032 1.00 37.99 H new ATOM 0 HA LEU A 3 -72.427 -23.454 -9.538 1.00 37.71 H new ATOM 0 HB2 LEU A 3 -72.207 -20.460 -9.892 1.00 37.68 H new ATOM 0 HB3 LEU A 3 -71.306 -21.589 -10.884 1.00 37.68 H new ATOM 0 HG LEU A 3 -73.229 -20.928 -12.114 1.00 38.25 H new ATOM 0 HD11 LEU A 3 -74.415 -23.072 -12.450 1.00 38.55 H new ATOM 0 HD12 LEU A 3 -72.657 -23.301 -12.304 1.00 38.55 H new ATOM 0 HD13 LEU A 3 -73.720 -23.684 -10.930 1.00 38.55 H new ATOM 0 HD21 LEU A 3 -75.534 -21.213 -11.303 1.00 38.67 H new ATOM 0 HD22 LEU A 3 -74.906 -21.736 -9.722 1.00 38.67 H new ATOM 0 HD23 LEU A 3 -74.605 -20.078 -10.295 1.00 38.67 H new ATOM 43 N GLY A 4 -70.656 -21.802 -7.403 1.00 36.42 N ATOM 44 CA GLY A 4 -69.381 -21.751 -6.727 1.00 35.70 C ATOM 45 C GLY A 4 -68.786 -20.363 -6.779 1.00 35.18 C ATOM 46 O GLY A 4 -67.946 -20.068 -7.627 1.00 34.80 O ATOM 0 H GLY A 4 -71.401 -21.271 -6.953 1.00 36.42 H new ATOM 0 HA2 GLY A 4 -69.505 -22.057 -5.688 1.00 35.70 H new ATOM 0 HA3 GLY A 4 -68.694 -22.461 -7.188 1.00 35.70 H new ATOM 50 N SER A 5 -69.231 -19.503 -5.875 1.00 35.22 N ATOM 51 CA SER A 5 -68.781 -18.124 -5.856 1.00 34.83 C ATOM 52 C SER A 5 -67.617 -17.968 -4.881 1.00 34.57 C ATOM 53 O SER A 5 -66.907 -16.959 -4.895 1.00 34.37 O ATOM 54 CB SER A 5 -69.939 -17.197 -5.472 1.00 34.91 C ATOM 55 OG SER A 5 -69.592 -15.833 -5.653 1.00 35.05 O ATOM 0 H SER A 5 -69.904 -19.738 -5.145 1.00 35.22 H new ATOM 0 HA SER A 5 -68.436 -17.847 -6.852 1.00 34.83 H new ATOM 0 HB2 SER A 5 -70.814 -17.435 -6.077 1.00 34.91 H new ATOM 0 HB3 SER A 5 -70.215 -17.369 -4.432 1.00 34.91 H new ATOM 0 HG SER A 5 -68.639 -15.710 -5.462 1.00 35.05 H new ATOM 61 N THR A 6 -67.427 -18.985 -4.044 1.00 34.64 N ATOM 62 CA THR A 6 -66.342 -18.998 -3.066 1.00 34.51 C ATOM 63 C THR A 6 -66.488 -17.823 -2.086 1.00 33.81 C ATOM 64 O THR A 6 -65.513 -17.167 -1.707 1.00 33.44 O ATOM 65 CB THR A 6 -64.968 -18.965 -3.779 1.00 34.85 C ATOM 66 OG1 THR A 6 -64.961 -19.935 -4.840 1.00 35.00 O ATOM 67 CG2 THR A 6 -63.821 -19.275 -2.821 1.00 35.32 C ATOM 0 H THR A 6 -68.016 -19.818 -4.024 1.00 34.64 H new ATOM 0 HA THR A 6 -66.400 -19.923 -2.493 1.00 34.51 H new ATOM 0 HB THR A 6 -64.821 -17.959 -4.171 1.00 34.85 H new ATOM 0 HG1 THR A 6 -64.093 -19.916 -5.295 1.00 35.00 H new ATOM 0 HG21 THR A 6 -62.876 -19.241 -3.362 1.00 35.32 H new ATOM 0 HG22 THR A 6 -63.807 -18.536 -2.019 1.00 35.32 H new ATOM 0 HG23 THR A 6 -63.960 -20.269 -2.396 1.00 35.32 H new ATOM 75 N SER A 7 -67.723 -17.598 -1.641 1.00 33.71 N ATOM 76 CA SER A 7 -68.023 -16.517 -0.702 1.00 33.13 C ATOM 77 C SER A 7 -67.486 -16.839 0.696 1.00 32.43 C ATOM 78 O SER A 7 -67.592 -16.028 1.614 1.00 32.42 O ATOM 79 CB SER A 7 -69.535 -16.270 -0.645 1.00 33.49 C ATOM 80 OG SER A 7 -69.853 -15.174 0.196 1.00 33.98 O ATOM 0 H SER A 7 -68.535 -18.151 -1.916 1.00 33.71 H new ATOM 0 HA SER A 7 -67.529 -15.612 -1.056 1.00 33.13 H new ATOM 0 HB2 SER A 7 -69.911 -16.079 -1.650 1.00 33.49 H new ATOM 0 HB3 SER A 7 -70.037 -17.166 -0.281 1.00 33.49 H new ATOM 0 HG SER A 7 -69.220 -15.141 0.943 1.00 33.98 H new ATOM 86 N LEU A 8 -66.929 -18.037 0.848 1.00 31.93 N ATOM 87 CA LEU A 8 -66.269 -18.424 2.091 1.00 31.32 C ATOM 88 C LEU A 8 -65.036 -17.552 2.312 1.00 30.56 C ATOM 89 O LEU A 8 -64.720 -17.177 3.439 1.00 30.33 O ATOM 90 CB LEU A 8 -65.850 -19.900 2.037 1.00 31.31 C ATOM 91 CG LEU A 8 -66.984 -20.901 1.798 1.00 32.11 C ATOM 92 CD1 LEU A 8 -66.436 -22.320 1.734 1.00 32.24 C ATOM 93 CD2 LEU A 8 -68.044 -20.780 2.886 1.00 32.31 C ATOM 0 H LEU A 8 -66.922 -18.757 0.125 1.00 31.93 H new ATOM 0 HA LEU A 8 -66.968 -18.285 2.916 1.00 31.32 H new ATOM 0 HB2 LEU A 8 -65.110 -20.020 1.246 1.00 31.31 H new ATOM 0 HB3 LEU A 8 -65.357 -20.154 2.975 1.00 31.31 H new ATOM 0 HG LEU A 8 -67.452 -20.671 0.841 1.00 32.11 H new ATOM 0 HD11 LEU A 8 -67.255 -23.019 1.564 1.00 32.24 H new ATOM 0 HD12 LEU A 8 -65.718 -22.396 0.917 1.00 32.24 H new ATOM 0 HD13 LEU A 8 -65.942 -22.562 2.675 1.00 32.24 H new ATOM 0 HD21 LEU A 8 -68.841 -21.499 2.699 1.00 32.31 H new ATOM 0 HD22 LEU A 8 -67.593 -20.983 3.857 1.00 32.31 H new ATOM 0 HD23 LEU A 8 -68.457 -19.771 2.881 1.00 32.31 H new ATOM 105 N VAL A 9 -64.370 -17.215 1.207 1.00 30.24 N ATOM 106 CA VAL A 9 -63.164 -16.390 1.225 1.00 29.57 C ATOM 107 C VAL A 9 -62.031 -17.057 2.015 1.00 29.50 C ATOM 108 O VAL A 9 -61.894 -16.863 3.223 1.00 29.74 O ATOM 109 CB VAL A 9 -63.436 -14.973 1.796 1.00 29.39 C ATOM 110 CG1 VAL A 9 -62.190 -14.103 1.715 1.00 28.95 C ATOM 111 CG2 VAL A 9 -64.600 -14.313 1.066 1.00 29.66 C ATOM 0 H VAL A 9 -64.654 -17.508 0.272 1.00 30.24 H new ATOM 0 HA VAL A 9 -62.851 -16.287 0.186 1.00 29.57 H new ATOM 0 HB VAL A 9 -63.705 -15.080 2.847 1.00 29.39 H new ATOM 0 HG11 VAL A 9 -62.409 -13.116 2.122 1.00 28.95 H new ATOM 0 HG12 VAL A 9 -61.387 -14.563 2.291 1.00 28.95 H new ATOM 0 HG13 VAL A 9 -61.881 -14.006 0.674 1.00 28.95 H new ATOM 0 HG21 VAL A 9 -64.774 -13.321 1.482 1.00 29.66 H new ATOM 0 HG22 VAL A 9 -64.362 -14.226 0.006 1.00 29.66 H new ATOM 0 HG23 VAL A 9 -65.497 -14.920 1.188 1.00 29.66 H new ATOM 121 N GLN A 10 -61.237 -17.864 1.325 1.00 29.28 N ATOM 122 CA GLN A 10 -60.054 -18.457 1.929 1.00 29.30 C ATOM 123 C GLN A 10 -58.856 -17.552 1.682 1.00 28.60 C ATOM 124 O GLN A 10 -58.024 -17.341 2.567 1.00 28.70 O ATOM 125 CB GLN A 10 -59.772 -19.847 1.346 1.00 29.33 C ATOM 126 CG GLN A 10 -58.523 -20.499 1.921 1.00 29.73 C ATOM 127 CD GLN A 10 -58.111 -21.774 1.201 1.00 30.01 C ATOM 128 OE1 GLN A 10 -58.393 -21.860 -0.090 1.00 30.47 O flip ATOM 129 NE2 GLN A 10 -57.528 -22.672 1.803 1.00 29.80 N flip ATOM 0 H GLN A 10 -61.390 -18.122 0.350 1.00 29.28 H new ATOM 0 HA GLN A 10 -60.231 -18.564 2.999 1.00 29.30 H new ATOM 0 HB2 GLN A 10 -60.630 -20.493 1.534 1.00 29.33 H new ATOM 0 HB3 GLN A 10 -59.665 -19.765 0.264 1.00 29.33 H new ATOM 0 HG2 GLN A 10 -57.700 -19.786 1.878 1.00 29.73 H new ATOM 0 HG3 GLN A 10 -58.694 -20.726 2.973 1.00 29.73 H new ATOM 0 HE21 GLN A 10 -57.327 -22.572 2.798 1.00 29.80 H new ATOM 0 HE22 GLN A 10 -57.245 -23.518 1.308 1.00 29.80 H new ATOM 138 N GLY A 11 -58.799 -16.997 0.478 1.00 27.99 N ATOM 139 CA GLY A 11 -57.681 -16.168 0.096 1.00 27.37 C ATOM 140 C GLY A 11 -58.025 -14.703 0.163 1.00 27.00 C ATOM 141 O GLY A 11 -59.001 -14.256 -0.441 1.00 26.96 O ATOM 0 H GLY A 11 -59.513 -17.109 -0.242 1.00 27.99 H new ATOM 0 HA2 GLY A 11 -56.835 -16.373 0.752 1.00 27.37 H new ATOM 0 HA3 GLY A 11 -57.369 -16.422 -0.917 1.00 27.37 H new ATOM 145 N LEU A 12 -57.236 -13.958 0.911 1.00 26.82 N ATOM 146 CA LEU A 12 -57.451 -12.531 1.062 1.00 26.55 C ATOM 147 C LEU A 12 -56.139 -11.848 1.424 1.00 25.80 C ATOM 148 O LEU A 12 -55.803 -10.797 0.884 1.00 25.54 O ATOM 149 CB LEU A 12 -58.528 -12.229 2.121 1.00 27.23 C ATOM 150 CG LEU A 12 -58.304 -12.856 3.497 1.00 28.12 C ATOM 151 CD1 LEU A 12 -58.877 -11.961 4.585 1.00 28.61 C ATOM 152 CD2 LEU A 12 -58.942 -14.234 3.569 1.00 28.64 C ATOM 0 H LEU A 12 -56.434 -14.320 1.428 1.00 26.82 H new ATOM 0 HA LEU A 12 -57.811 -12.138 0.111 1.00 26.55 H new ATOM 0 HB2 LEU A 12 -58.598 -11.148 2.242 1.00 27.23 H new ATOM 0 HB3 LEU A 12 -59.491 -12.570 1.740 1.00 27.23 H new ATOM 0 HG LEU A 12 -57.230 -12.961 3.653 1.00 28.12 H new ATOM 0 HD11 LEU A 12 -58.710 -12.420 5.559 1.00 28.61 H new ATOM 0 HD12 LEU A 12 -58.385 -10.989 4.553 1.00 28.61 H new ATOM 0 HD13 LEU A 12 -59.947 -11.831 4.423 1.00 28.61 H new ATOM 0 HD21 LEU A 12 -58.771 -14.663 4.556 1.00 28.64 H new ATOM 0 HD22 LEU A 12 -60.014 -14.148 3.391 1.00 28.64 H new ATOM 0 HD23 LEU A 12 -58.499 -14.880 2.811 1.00 28.64 H new ATOM 164 N THR A 13 -55.396 -12.459 2.339 1.00 25.53 N ATOM 165 CA THR A 13 -54.086 -11.957 2.723 1.00 24.91 C ATOM 166 C THR A 13 -53.203 -13.073 3.287 1.00 24.79 C ATOM 167 O THR A 13 -52.080 -13.246 2.817 1.00 24.22 O ATOM 168 CB THR A 13 -54.178 -10.811 3.750 1.00 24.58 C ATOM 169 OG1 THR A 13 -55.017 -9.765 3.248 1.00 24.93 O ATOM 170 CG2 THR A 13 -52.796 -10.255 4.059 1.00 24.35 C ATOM 0 H THR A 13 -55.682 -13.306 2.830 1.00 25.53 H new ATOM 0 HA THR A 13 -53.633 -11.566 1.812 1.00 24.91 H new ATOM 0 HB THR A 13 -54.609 -11.209 4.668 1.00 24.58 H new ATOM 0 HG1 THR A 13 -55.061 -9.822 2.271 1.00 24.93 H new ATOM 0 HG21 THR A 13 -52.883 -9.447 4.786 1.00 24.35 H new ATOM 0 HG22 THR A 13 -52.169 -11.046 4.469 1.00 24.35 H new ATOM 0 HG23 THR A 13 -52.345 -9.872 3.144 1.00 24.35 H new ATOM 178 N PRO A 14 -53.673 -13.841 4.309 1.00 25.42 N ATOM 179 CA PRO A 14 -52.887 -14.943 4.883 1.00 25.50 C ATOM 180 C PRO A 14 -52.300 -15.880 3.815 1.00 24.95 C ATOM 181 O PRO A 14 -51.090 -16.087 3.795 1.00 24.63 O ATOM 182 CB PRO A 14 -53.889 -15.657 5.795 1.00 26.39 C ATOM 183 CG PRO A 14 -54.813 -14.569 6.216 1.00 26.81 C ATOM 184 CD PRO A 14 -54.965 -13.683 5.011 1.00 26.21 C ATOM 0 HA PRO A 14 -52.006 -14.587 5.417 1.00 25.50 H new ATOM 0 HB2 PRO A 14 -54.418 -16.450 5.267 1.00 26.39 H new ATOM 0 HB3 PRO A 14 -53.395 -16.118 6.651 1.00 26.39 H new ATOM 0 HG2 PRO A 14 -55.776 -14.972 6.531 1.00 26.81 H new ATOM 0 HG3 PRO A 14 -54.407 -14.015 7.062 1.00 26.81 H new ATOM 0 HD2 PRO A 14 -55.803 -13.993 4.387 1.00 26.21 H new ATOM 0 HD3 PRO A 14 -55.145 -12.646 5.294 1.00 26.21 H new ATOM 192 N PRO A 15 -53.118 -16.470 2.911 1.00 24.93 N ATOM 193 CA PRO A 15 -52.619 -17.252 1.801 1.00 24.50 C ATOM 194 C PRO A 15 -52.727 -16.508 0.465 1.00 23.52 C ATOM 195 O PRO A 15 -53.750 -16.584 -0.210 1.00 23.07 O ATOM 196 CB PRO A 15 -53.568 -18.453 1.819 1.00 25.00 C ATOM 197 CG PRO A 15 -54.843 -17.943 2.452 1.00 25.60 C ATOM 198 CD PRO A 15 -54.579 -16.525 2.909 1.00 25.43 C ATOM 0 HA PRO A 15 -51.561 -17.499 1.895 1.00 24.50 H new ATOM 0 HB2 PRO A 15 -53.751 -18.825 0.811 1.00 25.00 H new ATOM 0 HB3 PRO A 15 -53.147 -19.279 2.392 1.00 25.00 H new ATOM 0 HG2 PRO A 15 -55.665 -17.970 1.737 1.00 25.60 H new ATOM 0 HG3 PRO A 15 -55.132 -18.571 3.294 1.00 25.60 H new ATOM 0 HD2 PRO A 15 -55.013 -15.791 2.231 1.00 25.43 H new ATOM 0 HD3 PRO A 15 -54.995 -16.331 3.898 1.00 25.43 H new ATOM 206 N PRO A 16 -51.696 -15.741 0.075 1.00 23.25 N ATOM 207 CA PRO A 16 -51.666 -15.062 -1.211 1.00 22.42 C ATOM 208 C PRO A 16 -50.969 -15.898 -2.279 1.00 22.03 C ATOM 209 O PRO A 16 -50.360 -15.360 -3.208 1.00 22.10 O ATOM 210 CB PRO A 16 -50.864 -13.792 -0.907 1.00 22.52 C ATOM 211 CG PRO A 16 -50.063 -14.086 0.329 1.00 23.30 C ATOM 212 CD PRO A 16 -50.494 -15.436 0.857 1.00 23.82 C ATOM 0 HA PRO A 16 -52.663 -14.869 -1.608 1.00 22.42 H new ATOM 0 HB2 PRO A 16 -50.211 -13.535 -1.741 1.00 22.52 H new ATOM 0 HB3 PRO A 16 -51.527 -12.942 -0.748 1.00 22.52 H new ATOM 0 HG2 PRO A 16 -48.997 -14.089 0.100 1.00 23.30 H new ATOM 0 HG3 PRO A 16 -50.225 -13.314 1.081 1.00 23.30 H new ATOM 0 HD2 PRO A 16 -49.719 -16.189 0.713 1.00 23.82 H new ATOM 0 HD3 PRO A 16 -50.708 -15.400 1.925 1.00 23.82 H new ATOM 220 N ASP A 17 -51.053 -17.219 -2.113 1.00 21.73 N ATOM 221 CA ASP A 17 -50.442 -18.186 -3.035 1.00 21.48 C ATOM 222 C ASP A 17 -48.919 -18.118 -2.998 1.00 20.70 C ATOM 223 O ASP A 17 -48.244 -18.794 -3.780 1.00 20.31 O ATOM 224 CB ASP A 17 -50.941 -17.988 -4.474 1.00 21.48 C ATOM 225 CG ASP A 17 -52.350 -18.506 -4.684 1.00 21.55 C ATOM 226 OD1 ASP A 17 -52.546 -19.739 -4.687 1.00 21.44 O ATOM 227 OD2 ASP A 17 -53.278 -17.680 -4.829 1.00 21.80 O ATOM 0 H ASP A 17 -51.548 -17.653 -1.334 1.00 21.73 H new ATOM 0 HA ASP A 17 -50.749 -19.175 -2.696 1.00 21.48 H new ATOM 0 HB2 ASP A 17 -50.908 -16.927 -4.722 1.00 21.48 H new ATOM 0 HB3 ASP A 17 -50.265 -18.497 -5.161 1.00 21.48 H new ATOM 232 N PHE A 18 -48.395 -17.301 -2.080 1.00 20.58 N ATOM 233 CA PHE A 18 -46.952 -17.131 -1.874 1.00 19.96 C ATOM 234 C PHE A 18 -46.302 -16.382 -3.038 1.00 19.47 C ATOM 235 O PHE A 18 -45.680 -15.336 -2.840 1.00 19.17 O ATOM 236 CB PHE A 18 -46.257 -18.481 -1.650 1.00 20.48 C ATOM 237 CG PHE A 18 -44.802 -18.366 -1.287 1.00 20.66 C ATOM 238 CD1 PHE A 18 -44.423 -17.954 -0.020 1.00 20.54 C ATOM 239 CD2 PHE A 18 -43.816 -18.675 -2.212 1.00 21.10 C ATOM 240 CE1 PHE A 18 -43.083 -17.853 0.319 1.00 20.84 C ATOM 241 CE2 PHE A 18 -42.477 -18.576 -1.879 1.00 21.40 C ATOM 242 CZ PHE A 18 -42.110 -18.164 -0.611 1.00 21.27 C ATOM 0 H PHE A 18 -48.965 -16.733 -1.453 1.00 20.58 H new ATOM 0 HA PHE A 18 -46.826 -16.529 -0.974 1.00 19.96 H new ATOM 0 HB2 PHE A 18 -46.777 -19.019 -0.858 1.00 20.48 H new ATOM 0 HB3 PHE A 18 -46.349 -19.080 -2.556 1.00 20.48 H new ATOM 0 HD1 PHE A 18 -45.179 -17.709 0.711 1.00 20.54 H new ATOM 0 HD2 PHE A 18 -44.097 -18.997 -3.204 1.00 21.10 H new ATOM 0 HE1 PHE A 18 -42.799 -17.531 1.310 1.00 20.84 H new ATOM 0 HE2 PHE A 18 -41.719 -18.820 -2.609 1.00 21.40 H new ATOM 0 HZ PHE A 18 -41.065 -18.086 -0.348 1.00 21.27 H new ATOM 252 N ASN A 19 -46.446 -16.915 -4.244 1.00 19.51 N ATOM 253 CA ASN A 19 -45.854 -16.306 -5.426 1.00 19.22 C ATOM 254 C ASN A 19 -46.607 -15.046 -5.826 1.00 18.44 C ATOM 255 O ASN A 19 -47.529 -15.088 -6.641 1.00 18.17 O ATOM 256 CB ASN A 19 -45.845 -17.286 -6.599 1.00 19.70 C ATOM 257 CG ASN A 19 -44.908 -18.463 -6.391 1.00 20.22 C ATOM 258 OD1 ASN A 19 -45.279 -19.480 -5.797 1.00 20.50 O ATOM 259 ND2 ASN A 19 -43.690 -18.340 -6.901 1.00 20.47 N ATOM 0 H ASN A 19 -46.970 -17.771 -4.429 1.00 19.51 H new ATOM 0 HA ASN A 19 -44.827 -16.041 -5.176 1.00 19.22 H new ATOM 0 HB2 ASN A 19 -46.856 -17.660 -6.759 1.00 19.70 H new ATOM 0 HB3 ASN A 19 -45.554 -16.755 -7.505 1.00 19.70 H new ATOM 0 HD21 ASN A 19 -43.019 -19.103 -6.810 1.00 20.47 H new ATOM 0 HD22 ASN A 19 -43.424 -17.482 -7.385 1.00 20.47 H new ATOM 266 N GLN A 20 -46.223 -13.929 -5.236 1.00 18.18 N ATOM 267 CA GLN A 20 -46.858 -12.661 -5.534 1.00 17.53 C ATOM 268 C GLN A 20 -46.194 -12.010 -6.734 1.00 17.18 C ATOM 269 O GLN A 20 -45.095 -11.474 -6.633 1.00 16.92 O ATOM 270 CB GLN A 20 -46.790 -11.732 -4.320 1.00 17.65 C ATOM 271 CG GLN A 20 -47.424 -12.328 -3.077 1.00 18.17 C ATOM 272 CD GLN A 20 -47.368 -11.403 -1.882 1.00 18.45 C ATOM 273 OE1 GLN A 20 -48.279 -10.609 -1.651 1.00 18.40 O ATOM 274 NE2 GLN A 20 -46.292 -11.495 -1.116 1.00 18.86 N ATOM 0 H GLN A 20 -45.473 -13.875 -4.547 1.00 18.18 H new ATOM 0 HA GLN A 20 -47.906 -12.844 -5.772 1.00 17.53 H new ATOM 0 HB2 GLN A 20 -45.747 -11.494 -4.110 1.00 17.65 H new ATOM 0 HB3 GLN A 20 -47.289 -10.793 -4.560 1.00 17.65 H new ATOM 0 HG2 GLN A 20 -48.464 -12.575 -3.290 1.00 18.17 H new ATOM 0 HG3 GLN A 20 -46.919 -13.262 -2.830 1.00 18.17 H new ATOM 0 HE21 GLN A 20 -45.560 -12.168 -1.344 1.00 18.86 H new ATOM 0 HE22 GLN A 20 -46.195 -10.893 -0.298 1.00 18.86 H new ATOM 283 N CYS A 21 -46.854 -12.089 -7.879 1.00 17.29 N ATOM 284 CA CYS A 21 -46.349 -11.465 -9.091 1.00 17.13 C ATOM 285 C CYS A 21 -47.190 -10.254 -9.466 1.00 16.75 C ATOM 286 O CYS A 21 -46.898 -9.554 -10.435 1.00 16.28 O ATOM 287 CB CYS A 21 -46.335 -12.463 -10.238 1.00 16.85 C ATOM 288 SG CYS A 21 -47.900 -13.344 -10.462 1.00 17.55 S ATOM 0 H CYS A 21 -47.741 -12.579 -7.994 1.00 17.29 H new ATOM 0 HA CYS A 21 -45.328 -11.133 -8.900 1.00 17.13 H new ATOM 0 HB2 CYS A 21 -46.090 -11.938 -11.161 1.00 16.85 H new ATOM 0 HB3 CYS A 21 -45.542 -13.190 -10.065 1.00 16.85 H new ATOM 0 HG CYS A 21 -47.794 -14.169 -11.461 1.00 17.55 H new ATOM 294 N LEU A 22 -48.217 -9.986 -8.668 1.00 17.08 N ATOM 295 CA LEU A 22 -49.092 -8.837 -8.893 1.00 16.96 C ATOM 296 C LEU A 22 -48.394 -7.545 -8.465 1.00 16.12 C ATOM 297 O LEU A 22 -49.012 -6.489 -8.344 1.00 16.24 O ATOM 298 CB LEU A 22 -50.412 -9.001 -8.132 1.00 17.70 C ATOM 299 CG LEU A 22 -50.341 -8.854 -6.606 1.00 18.56 C ATOM 300 CD1 LEU A 22 -51.739 -8.805 -6.026 1.00 18.72 C ATOM 301 CD2 LEU A 22 -49.564 -9.992 -5.970 1.00 19.08 C ATOM 0 H LEU A 22 -48.466 -10.550 -7.856 1.00 17.08 H new ATOM 0 HA LEU A 22 -49.314 -8.782 -9.959 1.00 16.96 H new ATOM 0 HB2 LEU A 22 -51.120 -8.266 -8.514 1.00 17.70 H new ATOM 0 HB3 LEU A 22 -50.819 -9.985 -8.362 1.00 17.70 H new ATOM 0 HG LEU A 22 -49.818 -7.924 -6.386 1.00 18.56 H new ATOM 0 HD11 LEU A 22 -51.680 -8.701 -4.943 1.00 18.72 H new ATOM 0 HD12 LEU A 22 -52.277 -7.954 -6.444 1.00 18.72 H new ATOM 0 HD13 LEU A 22 -52.268 -9.725 -6.274 1.00 18.72 H new ATOM 0 HD21 LEU A 22 -49.535 -9.853 -4.889 1.00 19.08 H new ATOM 0 HD22 LEU A 22 -50.051 -10.939 -6.202 1.00 19.08 H new ATOM 0 HD23 LEU A 22 -48.547 -10.002 -6.362 1.00 19.08 H new ATOM 313 N LYS A 23 -47.088 -7.644 -8.264 1.00 15.37 N ATOM 314 CA LYS A 23 -46.276 -6.526 -7.823 1.00 14.61 C ATOM 315 C LYS A 23 -45.842 -5.669 -8.999 1.00 14.25 C ATOM 316 O LYS A 23 -45.216 -4.627 -8.808 1.00 13.68 O ATOM 317 CB LYS A 23 -45.053 -7.028 -7.041 1.00 14.14 C ATOM 318 CG LYS A 23 -44.701 -8.505 -7.255 1.00 14.53 C ATOM 319 CD LYS A 23 -43.643 -8.722 -8.322 1.00 14.23 C ATOM 320 CE LYS A 23 -44.132 -8.405 -9.719 1.00 14.39 C ATOM 321 NZ LYS A 23 -43.123 -8.754 -10.748 1.00 14.38 N ATOM 0 H LYS A 23 -46.562 -8.507 -8.404 1.00 15.37 H new ATOM 0 HA LYS A 23 -46.882 -5.907 -7.162 1.00 14.61 H new ATOM 0 HB2 LYS A 23 -44.191 -6.422 -7.319 1.00 14.14 H new ATOM 0 HB3 LYS A 23 -45.229 -6.864 -5.978 1.00 14.14 H new ATOM 0 HG2 LYS A 23 -44.350 -8.928 -6.314 1.00 14.53 H new ATOM 0 HG3 LYS A 23 -45.603 -9.050 -7.532 1.00 14.53 H new ATOM 0 HD2 LYS A 23 -42.777 -8.100 -8.097 1.00 14.23 H new ATOM 0 HD3 LYS A 23 -43.309 -9.759 -8.288 1.00 14.23 H new ATOM 0 HE2 LYS A 23 -45.054 -8.952 -9.914 1.00 14.39 H new ATOM 0 HE3 LYS A 23 -44.370 -7.344 -9.789 1.00 14.39 H new ATOM 0 HZ1 LYS A 23 -43.466 -8.460 -11.685 1.00 14.38 H new ATOM 0 HZ2 LYS A 23 -42.229 -8.265 -10.538 1.00 14.38 H new ATOM 0 HZ3 LYS A 23 -42.964 -9.782 -10.744 1.00 14.38 H new ATOM 335 N ASN A 24 -46.182 -6.127 -10.208 1.00 14.73 N ATOM 336 CA ASN A 24 -45.861 -5.417 -11.449 1.00 14.67 C ATOM 337 C ASN A 24 -44.363 -5.425 -11.754 1.00 13.87 C ATOM 338 O ASN A 24 -43.946 -5.937 -12.789 1.00 14.11 O ATOM 339 CB ASN A 24 -46.381 -3.980 -11.400 1.00 14.94 C ATOM 340 CG ASN A 24 -47.875 -3.889 -11.670 1.00 15.80 C ATOM 341 OD1 ASN A 24 -48.295 -3.719 -12.811 1.00 16.18 O ATOM 342 ND2 ASN A 24 -48.687 -4.018 -10.630 1.00 16.23 N ATOM 0 H ASN A 24 -46.688 -7.001 -10.353 1.00 14.73 H new ATOM 0 HA ASN A 24 -46.361 -5.952 -12.256 1.00 14.67 H new ATOM 0 HB2 ASN A 24 -46.166 -3.553 -10.420 1.00 14.94 H new ATOM 0 HB3 ASN A 24 -45.845 -3.379 -12.135 1.00 14.94 H new ATOM 0 HD21 ASN A 24 -49.697 -3.977 -10.764 1.00 16.23 H new ATOM 0 HD22 ASN A 24 -48.301 -4.158 -9.696 1.00 16.23 H new ATOM 349 N SER A 25 -43.568 -4.891 -10.826 1.00 13.05 N ATOM 350 CA SER A 25 -42.148 -4.645 -11.041 1.00 12.28 C ATOM 351 C SER A 25 -41.945 -3.624 -12.156 1.00 12.15 C ATOM 352 O SER A 25 -41.648 -3.984 -13.296 1.00 12.30 O ATOM 353 CB SER A 25 -41.392 -5.939 -11.351 1.00 12.37 C ATOM 354 OG SER A 25 -41.385 -6.808 -10.228 1.00 12.97 O ATOM 0 H SER A 25 -43.896 -4.617 -9.900 1.00 13.05 H new ATOM 0 HA SER A 25 -41.739 -4.239 -10.116 1.00 12.28 H new ATOM 0 HB2 SER A 25 -41.856 -6.441 -12.200 1.00 12.37 H new ATOM 0 HB3 SER A 25 -40.367 -5.705 -11.640 1.00 12.37 H new ATOM 0 HG SER A 25 -40.489 -6.823 -9.832 1.00 12.97 H new ATOM 360 N PRO A 26 -42.144 -2.330 -11.835 1.00 12.10 N ATOM 361 CA PRO A 26 -42.003 -1.236 -12.800 1.00 12.18 C ATOM 362 C PRO A 26 -40.624 -1.230 -13.449 1.00 11.48 C ATOM 363 O PRO A 26 -40.487 -1.463 -14.651 1.00 11.60 O ATOM 364 CB PRO A 26 -42.223 0.035 -11.966 1.00 12.53 C ATOM 365 CG PRO A 26 -42.160 -0.388 -10.538 1.00 12.59 C ATOM 366 CD PRO A 26 -42.520 -1.846 -10.500 1.00 12.23 C ATOM 0 HA PRO A 26 -42.710 -1.326 -13.624 1.00 12.18 H new ATOM 0 HB2 PRO A 26 -41.459 0.781 -12.185 1.00 12.53 H new ATOM 0 HB3 PRO A 26 -43.187 0.489 -12.195 1.00 12.53 H new ATOM 0 HG2 PRO A 26 -41.162 -0.226 -10.131 1.00 12.59 H new ATOM 0 HG3 PRO A 26 -42.851 0.197 -9.931 1.00 12.59 H new ATOM 0 HD2 PRO A 26 -41.977 -2.373 -9.715 1.00 12.23 H new ATOM 0 HD3 PRO A 26 -43.583 -1.992 -10.305 1.00 12.23 H new ATOM 374 N ASP A 27 -39.602 -0.976 -12.647 1.00 10.92 N ATOM 375 CA ASP A 27 -38.230 -1.047 -13.122 1.00 10.34 C ATOM 376 C ASP A 27 -37.659 -2.417 -12.809 1.00 9.92 C ATOM 377 O ASP A 27 -37.092 -3.080 -13.671 1.00 10.16 O ATOM 378 CB ASP A 27 -37.354 0.001 -12.445 1.00 10.24 C ATOM 379 CG ASP A 27 -37.949 1.388 -12.448 1.00 10.06 C ATOM 380 OD1 ASP A 27 -37.869 2.079 -13.483 1.00 10.17 O ATOM 381 OD2 ASP A 27 -38.458 1.804 -11.393 1.00 9.96 O ATOM 0 H ASP A 27 -39.697 -0.719 -11.664 1.00 10.92 H new ATOM 0 HA ASP A 27 -38.238 -0.864 -14.196 1.00 10.34 H new ATOM 0 HB2 ASP A 27 -37.171 -0.303 -11.414 1.00 10.24 H new ATOM 0 HB3 ASP A 27 -36.386 0.030 -12.946 1.00 10.24 H new ATOM 386 N GLU A 28 -37.814 -2.810 -11.542 1.00 9.51 N ATOM 387 CA GLU A 28 -37.311 -4.079 -11.031 1.00 9.33 C ATOM 388 C GLU A 28 -35.815 -4.214 -11.297 1.00 8.90 C ATOM 389 O GLU A 28 -35.356 -5.122 -11.989 1.00 9.13 O ATOM 390 CB GLU A 28 -38.096 -5.245 -11.634 1.00 10.13 C ATOM 391 CG GLU A 28 -37.901 -6.568 -10.908 1.00 10.77 C ATOM 392 CD GLU A 28 -38.033 -6.436 -9.403 1.00 11.21 C ATOM 393 OE1 GLU A 28 -39.171 -6.306 -8.913 1.00 11.54 O ATOM 394 OE2 GLU A 28 -36.995 -6.465 -8.707 1.00 11.40 O ATOM 0 H GLU A 28 -38.296 -2.249 -10.840 1.00 9.51 H new ATOM 0 HA GLU A 28 -37.455 -4.102 -9.951 1.00 9.33 H new ATOM 0 HB2 GLU A 28 -39.157 -4.995 -11.631 1.00 10.13 H new ATOM 0 HB3 GLU A 28 -37.800 -5.368 -12.676 1.00 10.13 H new ATOM 0 HG2 GLU A 28 -38.634 -7.288 -11.271 1.00 10.77 H new ATOM 0 HG3 GLU A 28 -36.916 -6.968 -11.148 1.00 10.77 H new ATOM 401 N LYS A 29 -35.070 -3.274 -10.747 1.00 8.50 N ATOM 402 CA LYS A 29 -33.623 -3.280 -10.841 1.00 8.24 C ATOM 403 C LYS A 29 -33.029 -3.154 -9.452 1.00 7.81 C ATOM 404 O LYS A 29 -31.808 -3.177 -9.286 1.00 7.74 O ATOM 405 CB LYS A 29 -33.118 -2.129 -11.734 1.00 8.29 C ATOM 406 CG LYS A 29 -33.155 -0.732 -11.098 1.00 8.34 C ATOM 407 CD LYS A 29 -34.561 -0.316 -10.690 1.00 8.62 C ATOM 408 CE LYS A 29 -34.560 1.044 -10.022 1.00 8.72 C ATOM 409 NZ LYS A 29 -35.934 1.554 -9.752 1.00 9.11 N ATOM 0 H LYS A 29 -35.450 -2.486 -10.223 1.00 8.50 H new ATOM 0 HA LYS A 29 -33.309 -4.220 -11.294 1.00 8.24 H new ATOM 0 HB2 LYS A 29 -32.092 -2.347 -12.031 1.00 8.29 H new ATOM 0 HB3 LYS A 29 -33.716 -2.110 -12.645 1.00 8.29 H new ATOM 0 HG2 LYS A 29 -32.506 -0.718 -10.222 1.00 8.34 H new ATOM 0 HG3 LYS A 29 -32.754 -0.004 -11.803 1.00 8.34 H new ATOM 0 HD2 LYS A 29 -35.205 -0.291 -11.569 1.00 8.62 H new ATOM 0 HD3 LYS A 29 -34.979 -1.058 -10.009 1.00 8.62 H new ATOM 0 HE2 LYS A 29 -34.009 0.983 -9.084 1.00 8.72 H new ATOM 0 HE3 LYS A 29 -34.031 1.755 -10.656 1.00 8.72 H new ATOM 0 HZ1 LYS A 29 -35.929 2.120 -8.879 1.00 9.11 H new ATOM 0 HZ2 LYS A 29 -36.247 2.147 -10.547 1.00 9.11 H new ATOM 0 HZ3 LYS A 29 -36.586 0.752 -9.641 1.00 9.11 H new ATOM 423 N PHE A 30 -33.915 -3.049 -8.459 1.00 7.78 N ATOM 424 CA PHE A 30 -33.536 -2.665 -7.106 1.00 7.70 C ATOM 425 C PHE A 30 -32.844 -1.308 -7.129 1.00 7.44 C ATOM 426 O PHE A 30 -33.489 -0.279 -6.960 1.00 7.61 O ATOM 427 CB PHE A 30 -32.654 -3.727 -6.440 1.00 7.98 C ATOM 428 CG PHE A 30 -33.390 -5.006 -6.157 1.00 8.78 C ATOM 429 CD1 PHE A 30 -34.175 -5.138 -5.023 1.00 9.03 C ATOM 430 CD2 PHE A 30 -33.293 -6.079 -7.030 1.00 9.49 C ATOM 431 CE1 PHE A 30 -34.847 -6.316 -4.762 1.00 9.98 C ATOM 432 CE2 PHE A 30 -33.963 -7.259 -6.773 1.00 10.39 C ATOM 433 CZ PHE A 30 -34.759 -7.366 -5.627 1.00 10.64 C ATOM 0 H PHE A 30 -34.912 -3.228 -8.574 1.00 7.78 H new ATOM 0 HA PHE A 30 -34.443 -2.588 -6.506 1.00 7.70 H new ATOM 0 HB2 PHE A 30 -31.801 -3.940 -7.085 1.00 7.98 H new ATOM 0 HB3 PHE A 30 -32.257 -3.328 -5.507 1.00 7.98 H new ATOM 0 HD1 PHE A 30 -34.262 -4.310 -4.335 1.00 9.03 H new ATOM 0 HD2 PHE A 30 -32.687 -5.991 -7.920 1.00 9.49 H new ATOM 0 HE1 PHE A 30 -35.446 -6.406 -3.868 1.00 9.98 H new ATOM 0 HE2 PHE A 30 -33.873 -8.094 -7.452 1.00 10.39 H new ATOM 0 HZ PHE A 30 -35.302 -8.278 -5.428 1.00 10.64 H new ATOM 443 N PHE A 31 -31.544 -1.306 -7.385 1.00 7.30 N ATOM 444 CA PHE A 31 -30.822 -0.061 -7.572 1.00 7.33 C ATOM 445 C PHE A 31 -30.139 -0.043 -8.932 1.00 7.51 C ATOM 446 O PHE A 31 -29.961 1.016 -9.524 1.00 7.81 O ATOM 447 CB PHE A 31 -29.786 0.140 -6.461 1.00 7.36 C ATOM 448 CG PHE A 31 -30.372 0.098 -5.079 1.00 7.57 C ATOM 449 CD1 PHE A 31 -30.990 1.215 -4.544 1.00 7.70 C ATOM 450 CD2 PHE A 31 -30.305 -1.055 -4.316 1.00 7.97 C ATOM 451 CE1 PHE A 31 -31.532 1.185 -3.273 1.00 8.21 C ATOM 452 CE2 PHE A 31 -30.844 -1.094 -3.044 1.00 8.50 C ATOM 453 CZ PHE A 31 -31.454 0.014 -2.520 1.00 8.62 C ATOM 0 H PHE A 31 -30.973 -2.147 -7.467 1.00 7.30 H new ATOM 0 HA PHE A 31 -31.540 0.758 -7.527 1.00 7.33 H new ATOM 0 HB2 PHE A 31 -29.020 -0.631 -6.546 1.00 7.36 H new ATOM 0 HB3 PHE A 31 -29.290 1.099 -6.607 1.00 7.36 H new ATOM 0 HD1 PHE A 31 -31.049 2.122 -5.127 1.00 7.70 H new ATOM 0 HD2 PHE A 31 -29.826 -1.935 -4.720 1.00 7.97 H new ATOM 0 HE1 PHE A 31 -32.013 2.062 -2.866 1.00 8.21 H new ATOM 0 HE2 PHE A 31 -30.784 -2.001 -2.461 1.00 8.50 H new ATOM 0 HZ PHE A 31 -31.874 -0.019 -1.526 1.00 8.62 H new ATOM 463 N SER A 32 -29.773 -1.239 -9.413 1.00 7.60 N ATOM 464 CA SER A 32 -28.976 -1.431 -10.640 1.00 8.12 C ATOM 465 C SER A 32 -27.553 -0.906 -10.435 1.00 8.57 C ATOM 466 O SER A 32 -26.577 -1.501 -10.892 1.00 9.15 O ATOM 467 CB SER A 32 -29.640 -0.750 -11.845 1.00 8.65 C ATOM 468 OG SER A 32 -29.054 -1.168 -13.069 1.00 9.33 O ATOM 0 H SER A 32 -30.024 -2.116 -8.956 1.00 7.60 H new ATOM 0 HA SER A 32 -28.926 -2.499 -10.850 1.00 8.12 H new ATOM 0 HB2 SER A 32 -30.705 -0.981 -11.853 1.00 8.65 H new ATOM 0 HB3 SER A 32 -29.549 0.332 -11.748 1.00 8.65 H new ATOM 0 HG SER A 32 -29.500 -0.717 -13.816 1.00 9.33 H new ATOM 474 N ASP A 33 -27.464 0.209 -9.729 1.00 8.53 N ATOM 475 CA ASP A 33 -26.208 0.795 -9.317 1.00 9.12 C ATOM 476 C ASP A 33 -25.594 -0.044 -8.194 1.00 9.48 C ATOM 477 O ASP A 33 -24.393 0.003 -7.951 1.00 10.03 O ATOM 478 CB ASP A 33 -26.488 2.215 -8.836 1.00 9.83 C ATOM 479 CG ASP A 33 -25.356 3.174 -9.133 1.00 10.39 C ATOM 480 OD1 ASP A 33 -24.972 3.300 -10.311 1.00 10.73 O ATOM 481 OD2 ASP A 33 -24.875 3.841 -8.194 1.00 10.68 O ATOM 0 H ASP A 33 -28.280 0.739 -9.423 1.00 8.53 H new ATOM 0 HA ASP A 33 -25.501 0.819 -10.147 1.00 9.12 H new ATOM 0 HB2 ASP A 33 -27.400 2.580 -9.309 1.00 9.83 H new ATOM 0 HB3 ASP A 33 -26.671 2.199 -7.762 1.00 9.83 H new ATOM 486 N PHE A 34 -26.471 -0.792 -7.522 1.00 9.37 N ATOM 487 CA PHE A 34 -26.120 -1.781 -6.501 1.00 9.94 C ATOM 488 C PHE A 34 -25.158 -1.265 -5.423 1.00 9.93 C ATOM 489 O PHE A 34 -25.599 -0.753 -4.399 1.00 10.33 O ATOM 490 CB PHE A 34 -25.580 -3.055 -7.153 1.00 9.89 C ATOM 491 CG PHE A 34 -26.563 -3.736 -8.067 1.00 10.10 C ATOM 492 CD1 PHE A 34 -27.864 -3.975 -7.652 1.00 10.09 C ATOM 493 CD2 PHE A 34 -26.183 -4.139 -9.339 1.00 10.53 C ATOM 494 CE1 PHE A 34 -28.767 -4.600 -8.488 1.00 10.50 C ATOM 495 CE2 PHE A 34 -27.085 -4.764 -10.180 1.00 10.95 C ATOM 496 CZ PHE A 34 -28.379 -4.993 -9.755 1.00 10.92 C ATOM 0 H PHE A 34 -27.477 -0.724 -7.678 1.00 9.37 H new ATOM 0 HA PHE A 34 -27.047 -2.005 -5.974 1.00 9.94 H new ATOM 0 HB2 PHE A 34 -24.682 -2.809 -7.720 1.00 9.89 H new ATOM 0 HB3 PHE A 34 -25.282 -3.753 -6.371 1.00 9.89 H new ATOM 0 HD1 PHE A 34 -28.174 -3.669 -6.664 1.00 10.09 H new ATOM 0 HD2 PHE A 34 -25.172 -3.963 -9.676 1.00 10.53 H new ATOM 0 HE1 PHE A 34 -29.777 -4.782 -8.152 1.00 10.50 H new ATOM 0 HE2 PHE A 34 -26.778 -5.073 -11.168 1.00 10.95 H new ATOM 0 HZ PHE A 34 -29.086 -5.478 -10.411 1.00 10.92 H new ATOM 506 N SER A 35 -23.858 -1.397 -5.655 1.00 9.65 N ATOM 507 CA SER A 35 -22.868 -1.079 -4.637 1.00 9.74 C ATOM 508 C SER A 35 -22.773 0.428 -4.420 1.00 9.44 C ATOM 509 O SER A 35 -22.673 0.894 -3.287 1.00 9.50 O ATOM 510 CB SER A 35 -21.505 -1.654 -5.023 1.00 10.04 C ATOM 511 OG SER A 35 -20.596 -1.578 -3.936 1.00 10.16 O ATOM 0 H SER A 35 -23.466 -1.722 -6.539 1.00 9.65 H new ATOM 0 HA SER A 35 -23.185 -1.535 -3.699 1.00 9.74 H new ATOM 0 HB2 SER A 35 -21.619 -2.692 -5.335 1.00 10.04 H new ATOM 0 HB3 SER A 35 -21.104 -1.107 -5.876 1.00 10.04 H new ATOM 0 HG SER A 35 -19.732 -1.953 -4.206 1.00 10.16 H new ATOM 517 N ASN A 36 -22.797 1.190 -5.506 1.00 9.30 N ATOM 518 CA ASN A 36 -22.820 2.642 -5.398 1.00 9.24 C ATOM 519 C ASN A 36 -24.210 3.081 -4.959 1.00 8.77 C ATOM 520 O ASN A 36 -24.381 4.120 -4.314 1.00 8.94 O ATOM 521 CB ASN A 36 -22.429 3.296 -6.723 1.00 9.46 C ATOM 522 CG ASN A 36 -21.001 2.988 -7.140 1.00 10.11 C ATOM 523 OD1 ASN A 36 -20.741 1.990 -7.813 1.00 10.51 O ATOM 524 ND2 ASN A 36 -20.067 3.839 -6.741 1.00 10.41 N ATOM 0 H ASN A 36 -22.801 0.832 -6.461 1.00 9.30 H new ATOM 0 HA ASN A 36 -22.090 2.962 -4.655 1.00 9.24 H new ATOM 0 HB2 ASN A 36 -23.110 2.958 -7.504 1.00 9.46 H new ATOM 0 HB3 ASN A 36 -22.552 4.376 -6.639 1.00 9.46 H new ATOM 0 HD21 ASN A 36 -19.091 3.679 -6.990 1.00 10.41 H new ATOM 0 HD22 ASN A 36 -20.324 4.654 -6.185 1.00 10.41 H new ATOM 531 N ASN A 37 -25.202 2.276 -5.341 1.00 8.43 N ATOM 532 CA ASN A 37 -26.558 2.368 -4.795 1.00 8.29 C ATOM 533 C ASN A 37 -27.271 3.654 -5.231 1.00 7.88 C ATOM 534 O ASN A 37 -28.421 3.879 -4.860 1.00 7.92 O ATOM 535 CB ASN A 37 -26.489 2.280 -3.260 1.00 8.59 C ATOM 536 CG ASN A 37 -27.819 1.939 -2.608 1.00 9.45 C ATOM 537 OD1 ASN A 37 -28.147 0.772 -2.423 1.00 9.82 O ATOM 538 ND2 ASN A 37 -28.584 2.957 -2.241 1.00 10.00 N ATOM 0 H ASN A 37 -25.089 1.541 -6.039 1.00 8.43 H new ATOM 0 HA ASN A 37 -27.143 1.537 -5.189 1.00 8.29 H new ATOM 0 HB2 ASN A 37 -25.753 1.526 -2.981 1.00 8.59 H new ATOM 0 HB3 ASN A 37 -26.135 3.232 -2.866 1.00 8.59 H new ATOM 0 HD21 ASN A 37 -29.481 2.783 -1.787 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -28.276 3.914 -2.412 1.00 10.00 H new ATOM 545 N MET A 38 -26.583 4.477 -6.031 1.00 7.75 N ATOM 546 CA MET A 38 -27.081 5.787 -6.491 1.00 7.70 C ATOM 547 C MET A 38 -27.737 6.587 -5.360 1.00 7.11 C ATOM 548 O MET A 38 -28.642 7.388 -5.597 1.00 7.09 O ATOM 549 CB MET A 38 -28.050 5.646 -7.683 1.00 8.48 C ATOM 550 CG MET A 38 -29.390 5.007 -7.359 1.00 9.45 C ATOM 551 SD MET A 38 -30.553 5.097 -8.741 1.00 10.41 S ATOM 552 CE MET A 38 -29.648 4.213 -10.011 1.00 10.82 C ATOM 0 H MET A 38 -25.653 4.253 -6.384 1.00 7.75 H new ATOM 0 HA MET A 38 -26.207 6.344 -6.828 1.00 7.70 H new ATOM 0 HB2 MET A 38 -28.230 6.636 -8.102 1.00 8.48 H new ATOM 0 HB3 MET A 38 -27.562 5.055 -8.458 1.00 8.48 H new ATOM 0 HG2 MET A 38 -29.235 3.963 -7.087 1.00 9.45 H new ATOM 0 HG3 MET A 38 -29.824 5.502 -6.490 1.00 9.45 H new ATOM 0 HE1 MET A 38 -30.302 4.030 -10.863 1.00 10.82 H new ATOM 0 HE2 MET A 38 -28.794 4.810 -10.331 1.00 10.82 H new ATOM 0 HE3 MET A 38 -29.297 3.261 -9.612 1.00 10.82 H new ATOM 562 N GLY A 39 -27.230 6.397 -4.141 1.00 6.94 N ATOM 563 CA GLY A 39 -27.790 7.050 -2.963 1.00 6.72 C ATOM 564 C GLY A 39 -27.815 8.558 -3.085 1.00 6.82 C ATOM 565 O GLY A 39 -28.710 9.212 -2.549 1.00 7.22 O ATOM 0 H GLY A 39 -26.431 5.794 -3.946 1.00 6.94 H new ATOM 0 HA2 GLY A 39 -28.804 6.686 -2.799 1.00 6.72 H new ATOM 0 HA3 GLY A 39 -27.206 6.771 -2.086 1.00 6.72 H new ATOM 569 N SER A 40 -26.828 9.090 -3.805 1.00 6.70 N ATOM 570 CA SER A 40 -26.672 10.522 -4.014 1.00 7.03 C ATOM 571 C SER A 40 -26.223 11.227 -2.746 1.00 6.75 C ATOM 572 O SER A 40 -26.812 11.073 -1.678 1.00 7.15 O ATOM 573 CB SER A 40 -27.958 11.161 -4.532 1.00 7.71 C ATOM 574 OG SER A 40 -28.375 10.550 -5.739 1.00 7.71 O ATOM 0 H SER A 40 -26.109 8.530 -4.263 1.00 6.70 H new ATOM 0 HA SER A 40 -25.897 10.642 -4.771 1.00 7.03 H new ATOM 0 HB2 SER A 40 -28.743 11.067 -3.782 1.00 7.71 H new ATOM 0 HB3 SER A 40 -27.799 12.227 -4.695 1.00 7.71 H new ATOM 0 HG SER A 40 -28.538 9.596 -5.583 1.00 7.71 H new ATOM 580 N ARG A 41 -25.175 12.007 -2.876 1.00 6.32 N ATOM 581 CA ARG A 41 -24.661 12.773 -1.760 1.00 6.15 C ATOM 582 C ARG A 41 -25.207 14.194 -1.789 1.00 6.66 C ATOM 583 O ARG A 41 -24.888 15.008 -0.922 1.00 6.86 O ATOM 584 CB ARG A 41 -23.132 12.804 -1.768 1.00 5.64 C ATOM 585 CG ARG A 41 -22.487 12.644 -3.140 1.00 5.83 C ATOM 586 CD ARG A 41 -22.855 13.776 -4.090 1.00 6.30 C ATOM 587 NE ARG A 41 -22.351 13.540 -5.437 1.00 6.60 N ATOM 588 CZ ARG A 41 -22.900 14.032 -6.548 1.00 7.29 C ATOM 589 NH1 ARG A 41 -23.945 14.853 -6.478 1.00 7.72 N ATOM 590 NH2 ARG A 41 -22.390 13.709 -7.733 1.00 7.82 N ATOM 0 H ARG A 41 -24.658 12.129 -3.747 1.00 6.32 H new ATOM 0 HA ARG A 41 -24.991 12.284 -0.844 1.00 6.15 H new ATOM 0 HB2 ARG A 41 -22.801 13.749 -1.337 1.00 5.64 H new ATOM 0 HB3 ARG A 41 -22.765 12.011 -1.117 1.00 5.64 H new ATOM 0 HG2 ARG A 41 -21.404 12.606 -3.027 1.00 5.83 H new ATOM 0 HG3 ARG A 41 -22.796 11.693 -3.575 1.00 5.83 H new ATOM 0 HD2 ARG A 41 -23.939 13.885 -4.122 1.00 6.30 H new ATOM 0 HD3 ARG A 41 -22.451 14.714 -3.710 1.00 6.30 H new ATOM 0 HE ARG A 41 -21.520 12.957 -5.537 1.00 6.60 H new ATOM 0 HH11 ARG A 41 -24.332 15.110 -5.570 1.00 7.72 H new ATOM 0 HH12 ARG A 41 -24.359 15.225 -7.333 1.00 7.72 H new ATOM 0 HH21 ARG A 41 -21.583 13.088 -7.789 1.00 7.82 H new ATOM 0 HH22 ARG A 41 -22.806 14.082 -8.586 1.00 7.82 H new ATOM 604 N LYS A 42 -26.048 14.463 -2.790 1.00 7.18 N ATOM 605 CA LYS A 42 -26.592 15.793 -3.040 1.00 7.95 C ATOM 606 C LYS A 42 -25.467 16.813 -3.183 1.00 7.64 C ATOM 607 O LYS A 42 -24.848 16.929 -4.245 1.00 7.95 O ATOM 608 CB LYS A 42 -27.561 16.215 -1.926 1.00 8.85 C ATOM 609 CG LYS A 42 -28.680 15.216 -1.666 1.00 9.40 C ATOM 610 CD LYS A 42 -29.418 14.849 -2.944 1.00 8.95 C ATOM 611 CE LYS A 42 -30.733 14.147 -2.648 1.00 9.61 C ATOM 612 NZ LYS A 42 -31.643 15.003 -1.843 1.00 9.98 N ATOM 0 H LYS A 42 -26.371 13.757 -3.452 1.00 7.18 H new ATOM 0 HA LYS A 42 -27.150 15.756 -3.975 1.00 7.95 H new ATOM 0 HB2 LYS A 42 -26.997 16.361 -1.005 1.00 8.85 H new ATOM 0 HB3 LYS A 42 -28.001 17.178 -2.187 1.00 8.85 H new ATOM 0 HG2 LYS A 42 -28.265 14.315 -1.214 1.00 9.40 H new ATOM 0 HG3 LYS A 42 -29.384 15.637 -0.948 1.00 9.40 H new ATOM 0 HD2 LYS A 42 -29.609 15.750 -3.526 1.00 8.95 H new ATOM 0 HD3 LYS A 42 -28.789 14.202 -3.555 1.00 8.95 H new ATOM 0 HE2 LYS A 42 -31.221 13.877 -3.585 1.00 9.61 H new ATOM 0 HE3 LYS A 42 -30.537 13.218 -2.112 1.00 9.61 H new ATOM 0 HZ1 LYS A 42 -32.628 14.714 -2.008 1.00 9.98 H new ATOM 0 HZ2 LYS A 42 -31.416 14.898 -0.834 1.00 9.98 H new ATOM 0 HZ3 LYS A 42 -31.523 15.997 -2.123 1.00 9.98 H new ATOM 626 N ASN A 43 -25.183 17.507 -2.095 1.00 7.18 N ATOM 627 CA ASN A 43 -24.118 18.486 -2.041 1.00 6.90 C ATOM 628 C ASN A 43 -23.580 18.554 -0.631 1.00 6.59 C ATOM 629 O ASN A 43 -24.171 19.194 0.239 1.00 7.32 O ATOM 630 CB ASN A 43 -24.617 19.864 -2.476 1.00 7.86 C ATOM 631 CG ASN A 43 -23.491 20.878 -2.603 1.00 7.89 C ATOM 632 OD1 ASN A 43 -22.339 20.430 -3.081 1.00 7.84 O flip ATOM 633 ND2 ASN A 43 -23.663 22.062 -2.298 1.00 8.26 N flip ATOM 0 H ASN A 43 -25.692 17.404 -1.217 1.00 7.18 H new ATOM 0 HA ASN A 43 -23.327 18.183 -2.727 1.00 6.90 H new ATOM 0 HB2 ASN A 43 -25.131 19.775 -3.433 1.00 7.86 H new ATOM 0 HB3 ASN A 43 -25.348 20.227 -1.754 1.00 7.86 H new ATOM 0 HD21 ASN A 43 -24.565 22.369 -1.933 1.00 8.26 H new ATOM 0 HD22 ASN A 43 -22.903 22.733 -2.411 1.00 8.26 H new ATOM 640 N PRO A 44 -22.478 17.853 -0.373 1.00 5.79 N ATOM 641 CA PRO A 44 -21.851 17.860 0.940 1.00 5.83 C ATOM 642 C PRO A 44 -21.045 19.132 1.159 1.00 5.83 C ATOM 643 O PRO A 44 -21.368 20.189 0.615 1.00 6.26 O ATOM 644 CB PRO A 44 -20.938 16.638 0.882 1.00 5.35 C ATOM 645 CG PRO A 44 -20.541 16.555 -0.549 1.00 4.82 C ATOM 646 CD PRO A 44 -21.752 16.989 -1.329 1.00 5.18 C ATOM 0 HA PRO A 44 -22.568 17.829 1.760 1.00 5.83 H new ATOM 0 HB2 PRO A 44 -20.070 16.757 1.531 1.00 5.35 H new ATOM 0 HB3 PRO A 44 -21.457 15.736 1.205 1.00 5.35 H new ATOM 0 HG2 PRO A 44 -19.688 17.201 -0.758 1.00 4.82 H new ATOM 0 HG3 PRO A 44 -20.245 15.540 -0.816 1.00 4.82 H new ATOM 0 HD2 PRO A 44 -21.475 17.532 -2.233 1.00 5.18 H new ATOM 0 HD3 PRO A 44 -22.356 16.137 -1.641 1.00 5.18 H new ATOM 654 N ASP A 45 -20.004 19.024 1.954 1.00 5.59 N ATOM 655 CA ASP A 45 -19.128 20.148 2.218 1.00 5.67 C ATOM 656 C ASP A 45 -18.248 20.414 1.015 1.00 5.46 C ATOM 657 O ASP A 45 -17.631 19.495 0.475 1.00 5.44 O ATOM 658 CB ASP A 45 -18.256 19.886 3.450 1.00 6.26 C ATOM 659 CG ASP A 45 -19.044 19.936 4.740 1.00 6.73 C ATOM 660 OD1 ASP A 45 -19.713 18.936 5.074 1.00 6.98 O ATOM 661 OD2 ASP A 45 -18.985 20.972 5.433 1.00 7.06 O ATOM 0 H ASP A 45 -19.740 18.163 2.433 1.00 5.59 H new ATOM 0 HA ASP A 45 -19.748 21.023 2.414 1.00 5.67 H new ATOM 0 HB2 ASP A 45 -17.783 18.909 3.355 1.00 6.26 H new ATOM 0 HB3 ASP A 45 -17.456 20.625 3.488 1.00 6.26 H new ATOM 666 N PRO A 46 -18.181 21.675 0.569 1.00 5.77 N ATOM 667 CA PRO A 46 -17.300 22.071 -0.528 1.00 6.07 C ATOM 668 C PRO A 46 -15.840 22.067 -0.096 1.00 6.28 C ATOM 669 O PRO A 46 -14.937 22.261 -0.912 1.00 6.83 O ATOM 670 CB PRO A 46 -17.759 23.492 -0.866 1.00 6.80 C ATOM 671 CG PRO A 46 -18.366 24.009 0.393 1.00 6.93 C ATOM 672 CD PRO A 46 -18.966 22.813 1.089 1.00 6.33 C ATOM 0 HA PRO A 46 -17.359 21.389 -1.376 1.00 6.07 H new ATOM 0 HB2 PRO A 46 -16.921 24.112 -1.184 1.00 6.80 H new ATOM 0 HB3 PRO A 46 -18.482 23.490 -1.681 1.00 6.80 H new ATOM 0 HG2 PRO A 46 -17.614 24.488 1.020 1.00 6.93 H new ATOM 0 HG3 PRO A 46 -19.128 24.759 0.179 1.00 6.93 H new ATOM 0 HD2 PRO A 46 -18.881 22.896 2.173 1.00 6.33 H new ATOM 0 HD3 PRO A 46 -20.026 22.706 0.859 1.00 6.33 H new ATOM 680 N LEU A 47 -15.632 21.833 1.203 1.00 6.19 N ATOM 681 CA LEU A 47 -14.308 21.819 1.820 1.00 6.74 C ATOM 682 C LEU A 47 -13.696 23.213 1.830 1.00 6.79 C ATOM 683 O LEU A 47 -13.574 23.829 2.884 1.00 7.54 O ATOM 684 CB LEU A 47 -13.379 20.821 1.119 1.00 7.04 C ATOM 685 CG LEU A 47 -13.881 19.376 1.094 1.00 7.00 C ATOM 686 CD1 LEU A 47 -12.906 18.495 0.334 1.00 6.92 C ATOM 687 CD2 LEU A 47 -14.078 18.859 2.511 1.00 7.53 C ATOM 0 H LEU A 47 -16.389 21.646 1.861 1.00 6.19 H new ATOM 0 HA LEU A 47 -14.428 21.494 2.854 1.00 6.74 H new ATOM 0 HB2 LEU A 47 -13.222 21.153 0.093 1.00 7.04 H new ATOM 0 HB3 LEU A 47 -12.408 20.844 1.613 1.00 7.04 H new ATOM 0 HG LEU A 47 -14.843 19.348 0.582 1.00 7.00 H new ATOM 0 HD11 LEU A 47 -13.275 17.469 0.323 1.00 6.92 H new ATOM 0 HD12 LEU A 47 -12.811 18.857 -0.690 1.00 6.92 H new ATOM 0 HD13 LEU A 47 -11.932 18.525 0.822 1.00 6.92 H new ATOM 0 HD21 LEU A 47 -14.435 17.830 2.476 1.00 7.53 H new ATOM 0 HD22 LEU A 47 -13.130 18.896 3.047 1.00 7.53 H new ATOM 0 HD23 LEU A 47 -14.810 19.480 3.026 1.00 7.53 H new ATOM 699 N ALA A 48 -13.292 23.684 0.649 1.00 6.28 N ATOM 700 CA ALA A 48 -12.709 25.020 0.466 1.00 6.64 C ATOM 701 C ALA A 48 -11.311 25.091 1.071 1.00 6.21 C ATOM 702 O ALA A 48 -10.600 26.082 0.925 1.00 6.37 O ATOM 703 CB ALA A 48 -13.614 26.109 1.040 1.00 7.26 C ATOM 0 H ALA A 48 -13.359 23.147 -0.216 1.00 6.28 H new ATOM 0 HA ALA A 48 -12.622 25.199 -0.606 1.00 6.64 H new ATOM 0 HB1 ALA A 48 -13.152 27.084 0.887 1.00 7.26 H new ATOM 0 HB2 ALA A 48 -14.580 26.082 0.536 1.00 7.26 H new ATOM 0 HB3 ALA A 48 -13.757 25.938 2.107 1.00 7.26 H new ATOM 709 N THR A 49 -10.933 24.027 1.758 1.00 5.97 N ATOM 710 CA THR A 49 -9.610 23.895 2.318 1.00 5.78 C ATOM 711 C THR A 49 -8.636 23.350 1.285 1.00 5.51 C ATOM 712 O THR A 49 -7.516 23.845 1.153 1.00 5.78 O ATOM 713 CB THR A 49 -9.640 22.944 3.515 1.00 5.98 C ATOM 714 OG1 THR A 49 -10.509 21.836 3.226 1.00 6.42 O ATOM 715 CG2 THR A 49 -10.103 23.655 4.773 1.00 6.50 C ATOM 0 H THR A 49 -11.542 23.230 1.941 1.00 5.97 H new ATOM 0 HA THR A 49 -9.280 24.884 2.635 1.00 5.78 H new ATOM 0 HB THR A 49 -8.628 22.580 3.691 1.00 5.98 H new ATOM 0 HG1 THR A 49 -10.527 21.226 3.993 1.00 6.42 H new ATOM 0 HG21 THR A 49 -10.113 22.952 5.606 1.00 6.50 H new ATOM 0 HG22 THR A 49 -9.422 24.475 4.999 1.00 6.50 H new ATOM 0 HG23 THR A 49 -11.107 24.050 4.619 1.00 6.50 H new ATOM 723 N GLU A 50 -9.084 22.311 0.573 1.00 5.40 N ATOM 724 CA GLU A 50 -8.264 21.623 -0.425 1.00 5.68 C ATOM 725 C GLU A 50 -7.001 21.062 0.224 1.00 5.52 C ATOM 726 O GLU A 50 -5.983 20.861 -0.438 1.00 5.73 O ATOM 727 CB GLU A 50 -7.920 22.562 -1.591 1.00 6.30 C ATOM 728 CG GLU A 50 -9.137 22.991 -2.397 1.00 7.02 C ATOM 729 CD GLU A 50 -8.791 23.917 -3.550 1.00 8.02 C ATOM 730 OE1 GLU A 50 -8.729 25.145 -3.337 1.00 8.40 O ATOM 731 OE2 GLU A 50 -8.602 23.422 -4.681 1.00 8.59 O ATOM 0 H GLU A 50 -10.023 21.925 0.673 1.00 5.40 H new ATOM 0 HA GLU A 50 -8.837 20.789 -0.831 1.00 5.68 H new ATOM 0 HB2 GLU A 50 -7.421 23.449 -1.199 1.00 6.30 H new ATOM 0 HB3 GLU A 50 -7.212 22.064 -2.253 1.00 6.30 H new ATOM 0 HG2 GLU A 50 -9.637 22.105 -2.788 1.00 7.02 H new ATOM 0 HG3 GLU A 50 -9.845 23.492 -1.736 1.00 7.02 H new ATOM 738 N GLU A 51 -7.112 20.797 1.533 1.00 5.43 N ATOM 739 CA GLU A 51 -6.012 20.298 2.370 1.00 5.45 C ATOM 740 C GLU A 51 -4.934 21.352 2.593 1.00 5.48 C ATOM 741 O GLU A 51 -4.600 21.660 3.734 1.00 5.85 O ATOM 742 CB GLU A 51 -5.368 19.032 1.795 1.00 5.47 C ATOM 743 CG GLU A 51 -6.235 17.792 1.896 1.00 6.03 C ATOM 744 CD GLU A 51 -5.414 16.526 1.795 1.00 6.79 C ATOM 745 OE1 GLU A 51 -5.080 16.112 0.667 1.00 6.93 O ATOM 746 OE2 GLU A 51 -5.075 15.954 2.852 1.00 7.46 O ATOM 0 H GLU A 51 -7.983 20.925 2.048 1.00 5.43 H new ATOM 0 HA GLU A 51 -6.467 20.052 3.329 1.00 5.45 H new ATOM 0 HB2 GLU A 51 -5.124 19.206 0.747 1.00 5.47 H new ATOM 0 HB3 GLU A 51 -4.428 18.848 2.315 1.00 5.47 H new ATOM 0 HG2 GLU A 51 -6.775 17.801 2.843 1.00 6.03 H new ATOM 0 HG3 GLU A 51 -6.983 17.805 1.103 1.00 6.03 H new ATOM 753 N VAL A 52 -4.408 21.881 1.488 1.00 5.42 N ATOM 754 CA VAL A 52 -3.287 22.823 1.488 1.00 5.86 C ATOM 755 C VAL A 52 -2.213 22.444 2.532 1.00 6.11 C ATOM 756 O VAL A 52 -1.937 23.187 3.477 1.00 6.55 O ATOM 757 CB VAL A 52 -3.771 24.300 1.637 1.00 6.43 C ATOM 758 CG1 VAL A 52 -4.434 24.572 2.981 1.00 6.99 C ATOM 759 CG2 VAL A 52 -2.634 25.274 1.398 1.00 6.80 C ATOM 0 H VAL A 52 -4.754 21.664 0.553 1.00 5.42 H new ATOM 0 HA VAL A 52 -2.806 22.751 0.513 1.00 5.86 H new ATOM 0 HB VAL A 52 -4.531 24.452 0.871 1.00 6.43 H new ATOM 0 HG11 VAL A 52 -4.750 25.614 3.027 1.00 6.99 H new ATOM 0 HG12 VAL A 52 -5.303 23.924 3.096 1.00 6.99 H new ATOM 0 HG13 VAL A 52 -3.724 24.372 3.784 1.00 6.99 H new ATOM 0 HG21 VAL A 52 -3.000 26.295 1.508 1.00 6.80 H new ATOM 0 HG22 VAL A 52 -1.841 25.093 2.123 1.00 6.80 H new ATOM 0 HG23 VAL A 52 -2.242 25.136 0.390 1.00 6.80 H new ATOM 769 N PRO A 53 -1.584 21.258 2.366 1.00 6.09 N ATOM 770 CA PRO A 53 -0.586 20.760 3.315 1.00 6.51 C ATOM 771 C PRO A 53 0.657 21.641 3.331 1.00 6.99 C ATOM 772 O PRO A 53 0.976 22.258 4.338 1.00 7.85 O ATOM 773 CB PRO A 53 -0.264 19.349 2.804 1.00 6.60 C ATOM 774 CG PRO A 53 -0.666 19.344 1.371 1.00 6.37 C ATOM 775 CD PRO A 53 -1.796 20.327 1.243 1.00 6.00 C ATOM 0 HA PRO A 53 -0.950 20.761 4.342 1.00 6.51 H new ATOM 0 HB2 PRO A 53 0.797 19.124 2.915 1.00 6.60 H new ATOM 0 HB3 PRO A 53 -0.811 18.593 3.368 1.00 6.60 H new ATOM 0 HG2 PRO A 53 0.170 19.628 0.732 1.00 6.37 H new ATOM 0 HG3 PRO A 53 -0.981 18.348 1.060 1.00 6.37 H new ATOM 0 HD2 PRO A 53 -1.769 20.845 0.284 1.00 6.00 H new ATOM 0 HD3 PRO A 53 -2.765 19.833 1.311 1.00 6.00 H new ATOM 783 N ASN A 54 1.333 21.713 2.198 1.00 6.65 N ATOM 784 CA ASN A 54 2.472 22.603 2.040 1.00 7.32 C ATOM 785 C ASN A 54 2.192 23.572 0.906 1.00 7.87 C ATOM 786 O ASN A 54 3.005 23.745 -0.002 1.00 8.62 O ATOM 787 CB ASN A 54 3.756 21.811 1.775 1.00 7.53 C ATOM 788 CG ASN A 54 4.282 21.126 3.028 1.00 7.80 C ATOM 789 OD1 ASN A 54 5.040 21.709 3.803 1.00 7.76 O ATOM 790 ND2 ASN A 54 3.881 19.882 3.233 1.00 8.37 N ATOM 0 H ASN A 54 1.112 21.162 1.368 1.00 6.65 H new ATOM 0 HA ASN A 54 2.620 23.162 2.964 1.00 7.32 H new ATOM 0 HB2 ASN A 54 3.566 21.062 1.007 1.00 7.53 H new ATOM 0 HB3 ASN A 54 4.520 22.482 1.383 1.00 7.53 H new ATOM 0 HD21 ASN A 54 4.201 19.372 4.057 1.00 8.37 H new ATOM 0 HD22 ASN A 54 3.252 19.433 2.567 1.00 8.37 H new ATOM 797 N GLN A 55 1.012 24.182 0.970 1.00 7.71 N ATOM 798 CA GLN A 55 0.601 25.192 0.001 1.00 8.46 C ATOM 799 C GLN A 55 0.435 24.586 -1.390 1.00 8.71 C ATOM 800 O GLN A 55 -0.037 23.456 -1.526 1.00 9.31 O ATOM 801 CB GLN A 55 1.602 26.351 -0.014 1.00 9.37 C ATOM 802 CG GLN A 55 1.442 27.334 1.140 1.00 9.49 C ATOM 803 CD GLN A 55 1.405 26.670 2.504 1.00 9.90 C ATOM 804 OE1 GLN A 55 2.443 26.430 3.116 1.00 10.49 O ATOM 805 NE2 GLN A 55 0.209 26.404 3.007 1.00 9.79 N ATOM 0 H GLN A 55 0.317 23.991 1.692 1.00 7.71 H new ATOM 0 HA GLN A 55 -0.371 25.583 0.303 1.00 8.46 H new ATOM 0 HB2 GLN A 55 2.613 25.943 0.009 1.00 9.37 H new ATOM 0 HB3 GLN A 55 1.499 26.893 -0.954 1.00 9.37 H new ATOM 0 HG2 GLN A 55 2.266 28.048 1.115 1.00 9.49 H new ATOM 0 HG3 GLN A 55 0.523 27.903 0.997 1.00 9.49 H new ATOM 0 HE21 GLN A 55 -0.630 26.618 2.468 1.00 9.79 H new ATOM 0 HE22 GLN A 55 0.127 25.985 3.933 1.00 9.79 H new ATOM 814 N GLU A 56 0.827 25.330 -2.415 1.00 8.44 N ATOM 815 CA GLU A 56 0.536 24.948 -3.790 1.00 8.86 C ATOM 816 C GLU A 56 1.575 23.982 -4.347 1.00 8.25 C ATOM 817 O GLU A 56 2.634 24.403 -4.808 1.00 8.21 O ATOM 818 CB GLU A 56 0.453 26.183 -4.684 1.00 9.28 C ATOM 819 CG GLU A 56 -0.627 27.164 -4.261 1.00 10.30 C ATOM 820 CD GLU A 56 -0.757 28.331 -5.218 1.00 10.82 C ATOM 821 OE1 GLU A 56 -0.066 29.348 -5.013 1.00 11.15 O ATOM 822 OE2 GLU A 56 -1.548 28.236 -6.182 1.00 11.07 O ATOM 0 H GLU A 56 1.348 26.202 -2.320 1.00 8.44 H new ATOM 0 HA GLU A 56 -0.428 24.439 -3.782 1.00 8.86 H new ATOM 0 HB2 GLU A 56 1.417 26.691 -4.679 1.00 9.28 H new ATOM 0 HB3 GLU A 56 0.265 25.867 -5.710 1.00 9.28 H new ATOM 0 HG2 GLU A 56 -1.582 26.643 -4.197 1.00 10.30 H new ATOM 0 HG3 GLU A 56 -0.401 27.540 -3.263 1.00 10.30 H new ATOM 829 N GLN A 57 1.252 22.688 -4.269 1.00 8.02 N ATOM 830 CA GLN A 57 2.053 21.616 -4.858 1.00 7.71 C ATOM 831 C GLN A 57 3.550 21.795 -4.616 1.00 6.84 C ATOM 832 O GLN A 57 4.312 22.055 -5.546 1.00 6.77 O ATOM 833 CB GLN A 57 1.785 21.499 -6.358 1.00 8.64 C ATOM 834 CG GLN A 57 0.331 21.229 -6.704 1.00 9.62 C ATOM 835 CD GLN A 57 -0.190 19.940 -6.104 1.00 10.46 C ATOM 836 OE1 GLN A 57 0.556 18.985 -5.905 1.00 10.72 O ATOM 837 NE2 GLN A 57 -1.480 19.909 -5.812 1.00 11.09 N ATOM 0 H GLN A 57 0.417 22.353 -3.789 1.00 8.02 H new ATOM 0 HA GLN A 57 1.747 20.697 -4.359 1.00 7.71 H new ATOM 0 HB2 GLN A 57 2.099 22.421 -6.846 1.00 8.64 H new ATOM 0 HB3 GLN A 57 2.400 20.697 -6.766 1.00 8.64 H new ATOM 0 HG2 GLN A 57 -0.281 22.060 -6.353 1.00 9.62 H new ATOM 0 HG3 GLN A 57 0.222 21.189 -7.788 1.00 9.62 H new ATOM 0 HE21 GLN A 57 -2.064 20.725 -5.994 1.00 11.09 H new ATOM 0 HE22 GLN A 57 -1.891 19.069 -5.405 1.00 11.09 H new ATOM 846 N ILE A 58 3.969 21.667 -3.369 1.00 6.43 N ATOM 847 CA ILE A 58 5.384 21.719 -3.043 1.00 5.79 C ATOM 848 C ILE A 58 5.867 20.337 -2.614 1.00 5.74 C ATOM 849 O ILE A 58 5.781 19.972 -1.441 1.00 5.48 O ATOM 850 CB ILE A 58 5.686 22.753 -1.931 1.00 5.36 C ATOM 851 CG1 ILE A 58 5.197 24.149 -2.341 1.00 5.76 C ATOM 852 CG2 ILE A 58 7.175 22.782 -1.615 1.00 5.36 C ATOM 853 CD1 ILE A 58 5.876 24.706 -3.575 1.00 6.29 C ATOM 0 H ILE A 58 3.353 21.527 -2.568 1.00 6.43 H new ATOM 0 HA ILE A 58 5.918 22.035 -3.939 1.00 5.79 H new ATOM 0 HB ILE A 58 5.149 22.452 -1.032 1.00 5.36 H new ATOM 0 HG12 ILE A 58 4.122 24.108 -2.518 1.00 5.76 H new ATOM 0 HG13 ILE A 58 5.357 24.836 -1.510 1.00 5.76 H new ATOM 0 HG21 ILE A 58 7.366 23.515 -0.831 1.00 5.36 H new ATOM 0 HG22 ILE A 58 7.494 21.796 -1.276 1.00 5.36 H new ATOM 0 HG23 ILE A 58 7.732 23.055 -2.511 1.00 5.36 H new ATOM 0 HD11 ILE A 58 5.474 25.694 -3.797 1.00 6.29 H new ATOM 0 HD12 ILE A 58 6.949 24.782 -3.397 1.00 6.29 H new ATOM 0 HD13 ILE A 58 5.695 24.043 -4.421 1.00 6.29 H new ATOM 865 N PRO A 59 6.353 19.531 -3.577 1.00 6.40 N ATOM 866 CA PRO A 59 6.812 18.166 -3.316 1.00 6.85 C ATOM 867 C PRO A 59 8.161 18.156 -2.620 1.00 6.63 C ATOM 868 O PRO A 59 8.584 17.145 -2.071 1.00 7.28 O ATOM 869 CB PRO A 59 6.922 17.532 -4.713 1.00 7.95 C ATOM 870 CG PRO A 59 6.377 18.544 -5.671 1.00 8.02 C ATOM 871 CD PRO A 59 6.492 19.879 -4.995 1.00 7.12 C ATOM 0 HA PRO A 59 6.133 17.626 -2.656 1.00 6.85 H new ATOM 0 HB2 PRO A 59 7.958 17.289 -4.950 1.00 7.95 H new ATOM 0 HB3 PRO A 59 6.356 16.602 -4.765 1.00 7.95 H new ATOM 0 HG2 PRO A 59 6.937 18.534 -6.606 1.00 8.02 H new ATOM 0 HG3 PRO A 59 5.339 18.323 -5.919 1.00 8.02 H new ATOM 0 HD2 PRO A 59 7.449 20.358 -5.203 1.00 7.12 H new ATOM 0 HD3 PRO A 59 5.713 20.568 -5.322 1.00 7.12 H new ATOM 879 N GLU A 60 8.827 19.301 -2.650 1.00 5.93 N ATOM 880 CA GLU A 60 10.110 19.457 -1.984 1.00 5.88 C ATOM 881 C GLU A 60 9.886 19.694 -0.494 1.00 5.80 C ATOM 882 O GLU A 60 10.801 19.538 0.315 1.00 5.92 O ATOM 883 CB GLU A 60 10.877 20.649 -2.568 1.00 5.78 C ATOM 884 CG GLU A 60 10.611 20.914 -4.047 1.00 5.71 C ATOM 885 CD GLU A 60 11.010 19.763 -4.947 1.00 6.20 C ATOM 886 OE1 GLU A 60 12.221 19.580 -5.176 1.00 6.44 O ATOM 887 OE2 GLU A 60 10.117 19.016 -5.396 1.00 6.61 O ATOM 0 H GLU A 60 8.498 20.138 -3.131 1.00 5.93 H new ATOM 0 HA GLU A 60 10.692 18.548 -2.136 1.00 5.88 H new ATOM 0 HB2 GLU A 60 10.619 21.543 -2.000 1.00 5.78 H new ATOM 0 HB3 GLU A 60 11.945 20.480 -2.429 1.00 5.78 H new ATOM 0 HG2 GLU A 60 9.550 21.123 -4.186 1.00 5.71 H new ATOM 0 HG3 GLU A 60 11.154 21.808 -4.351 1.00 5.71 H new ATOM 894 N GLU A 61 8.646 20.089 -0.164 1.00 5.98 N ATOM 895 CA GLU A 61 8.238 20.497 1.185 1.00 6.40 C ATOM 896 C GLU A 61 8.894 21.815 1.600 1.00 6.67 C ATOM 897 O GLU A 61 8.225 22.716 2.099 1.00 7.45 O ATOM 898 CB GLU A 61 8.499 19.399 2.221 1.00 6.95 C ATOM 899 CG GLU A 61 7.558 18.212 2.070 1.00 7.52 C ATOM 900 CD GLU A 61 7.644 17.230 3.222 1.00 8.17 C ATOM 901 OE1 GLU A 61 7.060 17.502 4.292 1.00 8.72 O ATOM 902 OE2 GLU A 61 8.321 16.187 3.074 1.00 8.32 O ATOM 0 H GLU A 61 7.886 20.134 -0.843 1.00 5.98 H new ATOM 0 HA GLU A 61 7.161 20.660 1.150 1.00 6.40 H new ATOM 0 HB2 GLU A 61 9.529 19.055 2.128 1.00 6.95 H new ATOM 0 HB3 GLU A 61 8.392 19.817 3.222 1.00 6.95 H new ATOM 0 HG2 GLU A 61 6.534 18.577 1.988 1.00 7.52 H new ATOM 0 HG3 GLU A 61 7.787 17.692 1.140 1.00 7.52 H new ATOM 909 N GLY A 62 10.196 21.926 1.387 1.00 6.22 N ATOM 910 CA GLY A 62 10.894 23.169 1.660 1.00 6.69 C ATOM 911 C GLY A 62 12.222 22.932 2.343 1.00 6.92 C ATOM 912 O GLY A 62 13.097 23.792 2.343 1.00 7.40 O ATOM 0 H GLY A 62 10.786 21.175 1.028 1.00 6.22 H new ATOM 0 HA2 GLY A 62 11.057 23.706 0.726 1.00 6.69 H new ATOM 0 HA3 GLY A 62 10.271 23.805 2.289 1.00 6.69 H new ATOM 916 N PHE A 63 12.364 21.746 2.911 1.00 6.81 N ATOM 917 CA PHE A 63 13.560 21.372 3.639 1.00 7.27 C ATOM 918 C PHE A 63 14.119 20.062 3.091 1.00 6.90 C ATOM 919 O PHE A 63 13.769 18.977 3.547 1.00 7.34 O ATOM 920 CB PHE A 63 13.252 21.264 5.142 1.00 8.02 C ATOM 921 CG PHE A 63 11.936 20.590 5.450 1.00 7.85 C ATOM 922 CD1 PHE A 63 10.750 21.301 5.415 1.00 7.70 C ATOM 923 CD2 PHE A 63 11.893 19.241 5.774 1.00 8.09 C ATOM 924 CE1 PHE A 63 9.546 20.685 5.695 1.00 7.74 C ATOM 925 CE2 PHE A 63 10.692 18.620 6.057 1.00 8.21 C ATOM 926 CZ PHE A 63 9.512 19.360 6.025 1.00 8.00 C ATOM 0 H PHE A 63 11.652 21.017 2.879 1.00 6.81 H new ATOM 0 HA PHE A 63 14.318 22.143 3.506 1.00 7.27 H new ATOM 0 HB2 PHE A 63 14.055 20.711 5.629 1.00 8.02 H new ATOM 0 HB3 PHE A 63 13.247 22.264 5.575 1.00 8.02 H new ATOM 0 HD1 PHE A 63 10.766 22.352 5.165 1.00 7.70 H new ATOM 0 HD2 PHE A 63 12.809 18.670 5.805 1.00 8.09 H new ATOM 0 HE1 PHE A 63 8.628 21.253 5.653 1.00 7.74 H new ATOM 0 HE2 PHE A 63 10.668 17.568 6.301 1.00 8.21 H new ATOM 0 HZ PHE A 63 8.571 18.886 6.261 1.00 8.00 H new ATOM 936 N ILE A 64 14.953 20.175 2.069 1.00 6.31 N ATOM 937 CA ILE A 64 15.565 19.011 1.455 1.00 6.14 C ATOM 938 C ILE A 64 16.433 18.286 2.476 1.00 6.65 C ATOM 939 O ILE A 64 16.272 17.088 2.694 1.00 6.98 O ATOM 940 CB ILE A 64 16.393 19.415 0.216 1.00 5.61 C ATOM 941 CG1 ILE A 64 15.488 20.118 -0.806 1.00 5.10 C ATOM 942 CG2 ILE A 64 17.053 18.189 -0.399 1.00 5.86 C ATOM 943 CD1 ILE A 64 16.232 20.663 -2.006 1.00 5.02 C ATOM 0 H ILE A 64 15.221 21.064 1.648 1.00 6.31 H new ATOM 0 HA ILE A 64 14.778 18.335 1.121 1.00 6.14 H new ATOM 0 HB ILE A 64 17.179 20.107 0.519 1.00 5.61 H new ATOM 0 HG12 ILE A 64 14.729 19.415 -1.149 1.00 5.10 H new ATOM 0 HG13 ILE A 64 14.965 20.937 -0.312 1.00 5.10 H new ATOM 0 HG21 ILE A 64 17.634 18.488 -1.272 1.00 5.86 H new ATOM 0 HG22 ILE A 64 17.712 17.725 0.334 1.00 5.86 H new ATOM 0 HG23 ILE A 64 16.286 17.476 -0.700 1.00 5.86 H new ATOM 0 HD11 ILE A 64 15.527 21.145 -2.683 1.00 5.02 H new ATOM 0 HD12 ILE A 64 16.973 21.391 -1.675 1.00 5.02 H new ATOM 0 HD13 ILE A 64 16.733 19.846 -2.525 1.00 5.02 H new ATOM 955 N HIS A 65 17.333 19.035 3.115 1.00 6.99 N ATOM 956 CA HIS A 65 18.105 18.522 4.250 1.00 7.71 C ATOM 957 C HIS A 65 19.038 19.583 4.793 1.00 7.41 C ATOM 958 O HIS A 65 18.921 19.985 5.945 1.00 7.99 O ATOM 959 CB HIS A 65 18.922 17.283 3.882 1.00 8.57 C ATOM 960 CG HIS A 65 18.594 16.095 4.729 1.00 9.17 C ATOM 961 ND1 HIS A 65 18.241 16.016 6.031 1.00 9.64 N flip ATOM 962 CD2 HIS A 65 18.610 14.799 4.259 1.00 9.60 C flip ATOM 963 CE1 HIS A 65 18.053 14.691 6.323 1.00 10.31 C flip ATOM 964 NE2 HIS A 65 18.283 13.978 5.239 1.00 10.28 N flip ATOM 0 H HIS A 65 17.546 20.001 2.866 1.00 6.99 H new ATOM 0 HA HIS A 65 17.379 18.242 5.014 1.00 7.71 H new ATOM 0 HB2 HIS A 65 18.746 17.036 2.835 1.00 8.57 H new ATOM 0 HB3 HIS A 65 19.983 17.511 3.981 1.00 8.57 H new ATOM 0 HD2 HIS A 65 18.852 14.503 3.249 1.00 9.60 H new ATOM 0 HE1 HIS A 65 17.763 14.295 7.285 1.00 10.31 H new ATOM 0 HE2 HIS A 65 18.219 12.962 5.169 1.00 10.28 H new ATOM 973 N THR A 66 19.939 20.035 3.934 1.00 6.67 N ATOM 974 CA THR A 66 21.029 20.927 4.311 1.00 6.47 C ATOM 975 C THR A 66 21.836 20.339 5.470 1.00 6.60 C ATOM 976 O THR A 66 22.732 19.529 5.238 1.00 6.62 O ATOM 977 CB THR A 66 20.577 22.385 4.621 1.00 6.64 C ATOM 978 OG1 THR A 66 19.528 22.430 5.597 1.00 7.18 O ATOM 979 CG2 THR A 66 20.111 23.078 3.356 1.00 6.82 C ATOM 0 H THR A 66 19.935 19.791 2.944 1.00 6.67 H new ATOM 0 HA THR A 66 21.671 21.003 3.433 1.00 6.47 H new ATOM 0 HB THR A 66 21.445 22.903 5.030 1.00 6.64 H new ATOM 0 HG1 THR A 66 19.314 21.519 5.889 1.00 7.18 H new ATOM 0 HG21 THR A 66 19.799 24.095 3.592 1.00 6.82 H new ATOM 0 HG22 THR A 66 20.928 23.107 2.635 1.00 6.82 H new ATOM 0 HG23 THR A 66 19.270 22.531 2.930 1.00 6.82 H new ATOM 987 N GLN A 67 21.485 20.716 6.702 1.00 6.89 N ATOM 988 CA GLN A 67 22.194 20.265 7.912 1.00 7.37 C ATOM 989 C GLN A 67 23.709 20.318 7.728 1.00 7.24 C ATOM 990 O GLN A 67 24.442 19.490 8.269 1.00 7.66 O ATOM 991 CB GLN A 67 21.767 18.841 8.291 1.00 8.01 C ATOM 992 CG GLN A 67 20.337 18.746 8.780 1.00 8.35 C ATOM 993 CD GLN A 67 19.927 17.326 9.119 1.00 9.02 C ATOM 994 OE1 GLN A 67 20.886 16.501 9.526 1.00 9.58 O flip ATOM 995 NE2 GLN A 67 18.757 16.972 9.010 1.00 9.24 N flip ATOM 0 H GLN A 67 20.703 21.342 6.894 1.00 6.89 H new ATOM 0 HA GLN A 67 21.924 20.947 8.719 1.00 7.37 H new ATOM 0 HB2 GLN A 67 21.890 18.191 7.424 1.00 8.01 H new ATOM 0 HB3 GLN A 67 22.433 18.466 9.068 1.00 8.01 H new ATOM 0 HG2 GLN A 67 20.217 19.375 9.662 1.00 8.35 H new ATOM 0 HG3 GLN A 67 19.669 19.140 8.014 1.00 8.35 H new ATOM 0 HE21 GLN A 67 18.050 17.636 8.694 1.00 9.24 H new ATOM 0 HE22 GLN A 67 18.491 16.013 9.235 1.00 9.24 H new ATOM 1004 N TYR A 68 24.176 21.321 7.002 1.00 6.89 N ATOM 1005 CA TYR A 68 25.568 21.375 6.581 1.00 7.01 C ATOM 1006 C TYR A 68 25.840 22.694 5.884 1.00 6.55 C ATOM 1007 O TYR A 68 26.937 23.246 5.965 1.00 6.81 O ATOM 1008 CB TYR A 68 25.860 20.213 5.623 1.00 7.18 C ATOM 1009 CG TYR A 68 27.290 19.716 5.656 1.00 7.77 C ATOM 1010 CD1 TYR A 68 27.937 19.476 6.860 1.00 8.20 C ATOM 1011 CD2 TYR A 68 27.998 19.509 4.476 1.00 8.17 C ATOM 1012 CE1 TYR A 68 29.249 19.050 6.890 1.00 8.96 C ATOM 1013 CE2 TYR A 68 29.311 19.076 4.498 1.00 8.94 C ATOM 1014 CZ TYR A 68 29.897 18.755 5.722 1.00 9.31 C ATOM 1015 OH TYR A 68 31.240 18.435 5.750 1.00 10.22 O ATOM 0 H TYR A 68 23.611 22.111 6.691 1.00 6.89 H new ATOM 0 HA TYR A 68 26.214 21.292 7.455 1.00 7.01 H new ATOM 0 HB2 TYR A 68 25.195 19.384 5.864 1.00 7.18 H new ATOM 0 HB3 TYR A 68 25.621 20.528 4.607 1.00 7.18 H new ATOM 0 HD1 TYR A 68 27.405 19.625 7.788 1.00 8.20 H new ATOM 0 HD2 TYR A 68 27.514 19.689 3.528 1.00 8.17 H new ATOM 0 HE1 TYR A 68 29.764 18.950 7.834 1.00 8.96 H new ATOM 0 HE2 TYR A 68 29.874 18.988 3.581 1.00 8.94 H new ATOM 0 HH TYR A 68 31.505 18.062 4.884 1.00 10.22 H new ATOM 1025 N GLY A 69 24.822 23.195 5.198 1.00 6.15 N ATOM 1026 CA GLY A 69 24.945 24.447 4.492 1.00 6.07 C ATOM 1027 C GLY A 69 25.589 24.273 3.133 1.00 5.90 C ATOM 1028 O GLY A 69 24.897 24.123 2.122 1.00 5.61 O ATOM 0 H GLY A 69 23.908 22.750 5.120 1.00 6.15 H new ATOM 0 HA2 GLY A 69 23.958 24.893 4.371 1.00 6.07 H new ATOM 0 HA3 GLY A 69 25.537 25.142 5.087 1.00 6.07 H new ATOM 1032 N GLN A 70 26.914 24.263 3.108 1.00 6.45 N ATOM 1033 CA GLN A 70 27.656 24.163 1.861 1.00 6.69 C ATOM 1034 C GLN A 70 28.418 22.852 1.796 1.00 6.71 C ATOM 1035 O GLN A 70 29.299 22.594 2.614 1.00 7.25 O ATOM 1036 CB GLN A 70 28.624 25.341 1.720 1.00 7.70 C ATOM 1037 CG GLN A 70 27.930 26.689 1.728 1.00 8.32 C ATOM 1038 CD GLN A 70 28.901 27.854 1.686 1.00 9.06 C ATOM 1039 OE1 GLN A 70 30.054 27.657 1.065 1.00 9.52 O flip ATOM 1040 NE2 GLN A 70 28.616 28.923 2.216 1.00 9.42 N flip ATOM 0 H GLN A 70 27.499 24.323 3.942 1.00 6.45 H new ATOM 0 HA GLN A 70 26.944 24.192 1.036 1.00 6.69 H new ATOM 0 HB2 GLN A 70 29.348 25.307 2.534 1.00 7.70 H new ATOM 0 HB3 GLN A 70 29.184 25.233 0.791 1.00 7.70 H new ATOM 0 HG2 GLN A 70 27.259 26.751 0.872 1.00 8.32 H new ATOM 0 HG3 GLN A 70 27.313 26.769 2.623 1.00 8.32 H new ATOM 0 HE21 GLN A 70 27.717 29.036 2.685 1.00 9.42 H new ATOM 0 HE22 GLN A 70 29.278 29.699 2.188 1.00 9.42 H new ATOM 1049 N LYS A 71 28.064 22.017 0.834 1.00 6.35 N ATOM 1050 CA LYS A 71 28.755 20.758 0.626 1.00 6.54 C ATOM 1051 C LYS A 71 29.222 20.637 -0.825 1.00 6.34 C ATOM 1052 O LYS A 71 28.519 20.089 -1.677 1.00 6.36 O ATOM 1053 CB LYS A 71 27.886 19.543 1.031 1.00 6.82 C ATOM 1054 CG LYS A 71 26.523 19.435 0.341 1.00 6.50 C ATOM 1055 CD LYS A 71 25.552 20.501 0.821 1.00 6.36 C ATOM 1056 CE LYS A 71 24.168 20.328 0.212 1.00 6.74 C ATOM 1057 NZ LYS A 71 23.580 18.996 0.510 1.00 6.51 N ATOM 0 H LYS A 71 27.299 22.190 0.183 1.00 6.35 H new ATOM 0 HA LYS A 71 29.630 20.754 1.276 1.00 6.54 H new ATOM 0 HB2 LYS A 71 28.449 18.633 0.824 1.00 6.82 H new ATOM 0 HB3 LYS A 71 27.724 19.580 2.108 1.00 6.82 H new ATOM 0 HG2 LYS A 71 26.655 19.525 -0.737 1.00 6.50 H new ATOM 0 HG3 LYS A 71 26.099 18.448 0.529 1.00 6.50 H new ATOM 0 HD2 LYS A 71 25.477 20.460 1.908 1.00 6.36 H new ATOM 0 HD3 LYS A 71 25.940 21.487 0.565 1.00 6.36 H new ATOM 0 HE2 LYS A 71 23.507 21.107 0.592 1.00 6.74 H new ATOM 0 HE3 LYS A 71 24.230 20.461 -0.868 1.00 6.74 H new ATOM 0 HZ1 LYS A 71 22.558 19.017 0.319 1.00 6.51 H new ATOM 0 HZ2 LYS A 71 24.030 18.276 -0.090 1.00 6.51 H new ATOM 0 HZ3 LYS A 71 23.740 18.762 1.511 1.00 6.51 H new ATOM 1071 N PRO A 72 30.402 21.200 -1.135 1.00 6.47 N ATOM 1072 CA PRO A 72 31.025 21.085 -2.452 1.00 6.58 C ATOM 1073 C PRO A 72 31.784 19.770 -2.595 1.00 6.47 C ATOM 1074 O PRO A 72 32.388 19.489 -3.631 1.00 6.74 O ATOM 1075 CB PRO A 72 32.000 22.274 -2.496 1.00 7.14 C ATOM 1076 CG PRO A 72 31.812 23.012 -1.205 1.00 7.24 C ATOM 1077 CD PRO A 72 31.222 22.028 -0.246 1.00 6.89 C ATOM 0 HA PRO A 72 30.293 21.096 -3.260 1.00 6.58 H new ATOM 0 HB2 PRO A 72 33.029 21.931 -2.603 1.00 7.14 H new ATOM 0 HB3 PRO A 72 31.789 22.920 -3.349 1.00 7.14 H new ATOM 0 HG2 PRO A 72 32.762 23.396 -0.834 1.00 7.24 H new ATOM 0 HG3 PRO A 72 31.152 23.869 -1.339 1.00 7.24 H new ATOM 0 HD2 PRO A 72 31.988 21.445 0.265 1.00 6.89 H new ATOM 0 HD3 PRO A 72 30.625 22.515 0.525 1.00 6.89 H new ATOM 1085 N GLU A 73 31.756 18.978 -1.532 1.00 6.33 N ATOM 1086 CA GLU A 73 32.411 17.688 -1.527 1.00 6.45 C ATOM 1087 C GLU A 73 31.541 16.648 -2.215 1.00 6.01 C ATOM 1088 O GLU A 73 30.321 16.629 -2.043 1.00 5.68 O ATOM 1089 CB GLU A 73 32.729 17.241 -0.091 1.00 6.92 C ATOM 1090 CG GLU A 73 31.508 17.167 0.820 1.00 7.38 C ATOM 1091 CD GLU A 73 31.819 16.552 2.170 1.00 7.92 C ATOM 1092 OE1 GLU A 73 32.266 17.290 3.078 1.00 8.39 O ATOM 1093 OE2 GLU A 73 31.620 15.327 2.338 1.00 8.11 O ATOM 0 H GLU A 73 31.282 19.213 -0.660 1.00 6.33 H new ATOM 0 HA GLU A 73 33.348 17.783 -2.075 1.00 6.45 H new ATOM 0 HB2 GLU A 73 33.205 16.261 -0.123 1.00 6.92 H new ATOM 0 HB3 GLU A 73 33.452 17.933 0.342 1.00 6.92 H new ATOM 0 HG2 GLU A 73 31.108 18.170 0.966 1.00 7.38 H new ATOM 0 HG3 GLU A 73 30.730 16.582 0.330 1.00 7.38 H new ATOM 1100 N GLN A 74 32.169 15.802 -3.010 1.00 6.31 N ATOM 1101 CA GLN A 74 31.467 14.710 -3.651 1.00 6.22 C ATOM 1102 C GLN A 74 31.357 13.536 -2.688 1.00 6.34 C ATOM 1103 O GLN A 74 32.360 13.083 -2.139 1.00 6.32 O ATOM 1104 CB GLN A 74 32.184 14.292 -4.932 1.00 6.38 C ATOM 1105 CG GLN A 74 32.217 15.392 -5.979 1.00 6.83 C ATOM 1106 CD GLN A 74 32.964 14.994 -7.235 1.00 7.20 C ATOM 1107 OE1 GLN A 74 33.908 14.205 -7.183 1.00 7.16 O ATOM 1108 NE2 GLN A 74 32.549 15.539 -8.367 1.00 7.82 N ATOM 0 H GLN A 74 33.165 15.851 -3.226 1.00 6.31 H new ATOM 0 HA GLN A 74 30.464 15.041 -3.919 1.00 6.22 H new ATOM 0 HB2 GLN A 74 33.205 13.997 -4.691 1.00 6.38 H new ATOM 0 HB3 GLN A 74 31.689 13.415 -5.349 1.00 6.38 H new ATOM 0 HG2 GLN A 74 31.195 15.666 -6.242 1.00 6.83 H new ATOM 0 HG3 GLN A 74 32.684 16.279 -5.551 1.00 6.83 H new ATOM 0 HE21 GLN A 74 31.762 16.188 -8.362 1.00 7.82 H new ATOM 0 HE22 GLN A 74 33.016 15.310 -9.244 1.00 7.82 H new ATOM 1117 N PRO A 75 30.123 13.047 -2.458 1.00 6.73 N ATOM 1118 CA PRO A 75 29.856 11.949 -1.522 1.00 7.11 C ATOM 1119 C PRO A 75 30.642 10.685 -1.867 1.00 7.12 C ATOM 1120 O PRO A 75 30.269 9.922 -2.764 1.00 7.46 O ATOM 1121 CB PRO A 75 28.347 11.701 -1.661 1.00 7.79 C ATOM 1122 CG PRO A 75 27.800 12.965 -2.223 1.00 7.64 C ATOM 1123 CD PRO A 75 28.885 13.536 -3.091 1.00 7.09 C ATOM 0 HA PRO A 75 30.161 12.205 -0.507 1.00 7.11 H new ATOM 0 HB2 PRO A 75 28.145 10.856 -2.319 1.00 7.79 H new ATOM 0 HB3 PRO A 75 27.895 11.469 -0.697 1.00 7.79 H new ATOM 0 HG2 PRO A 75 26.896 12.776 -2.802 1.00 7.64 H new ATOM 0 HG3 PRO A 75 27.529 13.660 -1.428 1.00 7.64 H new ATOM 0 HD2 PRO A 75 28.798 13.192 -4.122 1.00 7.09 H new ATOM 0 HD3 PRO A 75 28.849 14.625 -3.115 1.00 7.09 H new ATOM 1131 N SER A 76 31.749 10.492 -1.164 1.00 7.00 N ATOM 1132 CA SER A 76 32.598 9.336 -1.369 1.00 7.24 C ATOM 1133 C SER A 76 32.239 8.233 -0.380 1.00 7.24 C ATOM 1134 O SER A 76 32.814 8.141 0.704 1.00 7.02 O ATOM 1135 CB SER A 76 34.070 9.733 -1.218 1.00 7.66 C ATOM 1136 OG SER A 76 34.934 8.642 -1.489 1.00 7.89 O ATOM 0 H SER A 76 32.079 11.131 -0.440 1.00 7.00 H new ATOM 0 HA SER A 76 32.440 8.957 -2.379 1.00 7.24 H new ATOM 0 HB2 SER A 76 34.297 10.555 -1.896 1.00 7.66 H new ATOM 0 HB3 SER A 76 34.248 10.096 -0.206 1.00 7.66 H new ATOM 0 HG SER A 76 35.865 8.929 -1.385 1.00 7.89 H new ATOM 1142 N GLY A 77 31.267 7.419 -0.754 1.00 7.81 N ATOM 1143 CA GLY A 77 30.858 6.315 0.089 1.00 8.19 C ATOM 1144 C GLY A 77 31.458 5.009 -0.373 1.00 8.67 C ATOM 1145 O GLY A 77 30.790 3.976 -0.375 1.00 9.39 O ATOM 0 H GLY A 77 30.751 7.502 -1.630 1.00 7.81 H new ATOM 0 HA2 GLY A 77 31.160 6.511 1.118 1.00 8.19 H new ATOM 0 HA3 GLY A 77 29.771 6.238 0.086 1.00 8.19 H new ATOM 1149 N ALA A 78 32.723 5.060 -0.768 1.00 8.46 N ATOM 1150 CA ALA A 78 33.424 3.887 -1.261 1.00 9.08 C ATOM 1151 C ALA A 78 34.917 4.009 -0.990 1.00 9.03 C ATOM 1152 O ALA A 78 35.485 5.099 -1.112 1.00 8.98 O ATOM 1153 CB ALA A 78 33.166 3.709 -2.746 1.00 9.36 C ATOM 0 H ALA A 78 33.287 5.910 -0.755 1.00 8.46 H new ATOM 0 HA ALA A 78 33.050 3.009 -0.735 1.00 9.08 H new ATOM 0 HB1 ALA A 78 33.696 2.827 -3.104 1.00 9.36 H new ATOM 0 HB2 ALA A 78 32.097 3.584 -2.917 1.00 9.36 H new ATOM 0 HB3 ALA A 78 33.519 4.588 -3.285 1.00 9.36 H new ATOM 1159 N SER A 79 35.535 2.889 -0.621 1.00 9.25 N ATOM 1160 CA SER A 79 36.967 2.839 -0.315 1.00 9.45 C ATOM 1161 C SER A 79 37.299 3.701 0.909 1.00 9.58 C ATOM 1162 O SER A 79 36.393 4.191 1.589 1.00 9.90 O ATOM 1163 CB SER A 79 37.789 3.281 -1.533 1.00 9.59 C ATOM 1164 OG SER A 79 37.489 2.484 -2.669 1.00 9.83 O ATOM 0 H SER A 79 35.060 1.991 -0.525 1.00 9.25 H new ATOM 0 HA SER A 79 37.229 1.808 -0.077 1.00 9.45 H new ATOM 0 HB2 SER A 79 37.582 4.328 -1.755 1.00 9.59 H new ATOM 0 HB3 SER A 79 38.852 3.208 -1.304 1.00 9.59 H new ATOM 0 HG SER A 79 38.024 2.787 -3.432 1.00 9.83 H new ATOM 1170 N ALA A 80 38.600 3.853 1.193 1.00 9.56 N ATOM 1171 CA ALA A 80 39.076 4.651 2.330 1.00 9.88 C ATOM 1172 C ALA A 80 38.600 4.077 3.659 1.00 9.90 C ATOM 1173 O ALA A 80 38.022 2.992 3.710 1.00 10.21 O ATOM 1174 CB ALA A 80 38.646 6.107 2.184 1.00 10.43 C ATOM 0 H ALA A 80 39.348 3.429 0.644 1.00 9.56 H new ATOM 0 HA ALA A 80 40.165 4.610 2.328 1.00 9.88 H new ATOM 0 HB1 ALA A 80 39.009 6.681 3.037 1.00 10.43 H new ATOM 0 HB2 ALA A 80 39.063 6.519 1.265 1.00 10.43 H new ATOM 0 HB3 ALA A 80 37.558 6.163 2.145 1.00 10.43 H new ATOM 1180 N GLY A 81 38.881 4.789 4.736 1.00 9.80 N ATOM 1181 CA GLY A 81 38.409 4.377 6.039 1.00 10.04 C ATOM 1182 C GLY A 81 39.240 3.265 6.644 1.00 10.12 C ATOM 1183 O GLY A 81 38.716 2.421 7.369 1.00 10.38 O ATOM 0 H GLY A 81 39.430 5.649 4.731 1.00 9.80 H new ATOM 0 HA2 GLY A 81 38.417 5.236 6.710 1.00 10.04 H new ATOM 0 HA3 GLY A 81 37.374 4.046 5.957 1.00 10.04 H new ATOM 1187 N HIS A 82 40.542 3.269 6.379 1.00 10.09 N ATOM 1188 CA HIS A 82 41.431 2.276 6.978 1.00 10.32 C ATOM 1189 C HIS A 82 42.015 2.836 8.273 1.00 10.96 C ATOM 1190 O HIS A 82 43.064 2.401 8.744 1.00 11.19 O ATOM 1191 CB HIS A 82 42.538 1.828 5.998 1.00 10.38 C ATOM 1192 CG HIS A 82 43.680 2.796 5.794 1.00 10.29 C ATOM 1193 ND1 HIS A 82 43.742 3.708 4.760 1.00 10.66 N ATOM 1194 CD2 HIS A 82 44.840 2.944 6.481 1.00 10.14 C ATOM 1195 CE1 HIS A 82 44.884 4.372 4.828 1.00 10.73 C ATOM 1196 NE2 HIS A 82 45.565 3.923 5.862 1.00 10.43 N ATOM 0 H HIS A 82 41.002 3.938 5.762 1.00 10.09 H new ATOM 0 HA HIS A 82 40.851 1.382 7.210 1.00 10.32 H new ATOM 0 HB2 HIS A 82 42.949 0.883 6.354 1.00 10.38 H new ATOM 0 HB3 HIS A 82 42.079 1.631 5.029 1.00 10.38 H new ATOM 0 HD2 HIS A 82 45.137 2.389 7.358 1.00 10.14 H new ATOM 0 HE1 HIS A 82 45.204 5.150 4.151 1.00 10.73 H new ATOM 0 HE2 HIS A 82 46.485 4.253 6.154 1.00 10.43 H new ATOM 1205 N ARG A 83 41.263 3.764 8.868 1.00 11.41 N ATOM 1206 CA ARG A 83 41.670 4.510 10.069 1.00 12.20 C ATOM 1207 C ARG A 83 41.586 3.647 11.329 1.00 12.66 C ATOM 1208 O ARG A 83 41.275 4.139 12.415 1.00 12.79 O ATOM 1209 CB ARG A 83 40.760 5.733 10.213 1.00 12.48 C ATOM 1210 CG ARG A 83 40.707 6.573 8.953 1.00 12.24 C ATOM 1211 CD ARG A 83 39.281 6.924 8.561 1.00 12.18 C ATOM 1212 NE ARG A 83 38.615 7.747 9.568 1.00 12.92 N ATOM 1213 CZ ARG A 83 37.545 8.504 9.334 1.00 13.33 C ATOM 1214 NH1 ARG A 83 37.067 8.629 8.103 1.00 13.12 N ATOM 1215 NH2 ARG A 83 36.967 9.159 10.328 1.00 14.12 N ATOM 0 H ARG A 83 40.338 4.025 8.526 1.00 11.41 H new ATOM 0 HA ARG A 83 42.710 4.816 9.955 1.00 12.20 H new ATOM 0 HB2 ARG A 83 39.753 5.403 10.468 1.00 12.48 H new ATOM 0 HB3 ARG A 83 41.113 6.348 11.041 1.00 12.48 H new ATOM 0 HG2 ARG A 83 41.277 7.490 9.104 1.00 12.24 H new ATOM 0 HG3 ARG A 83 41.185 6.032 8.136 1.00 12.24 H new ATOM 0 HD2 ARG A 83 39.289 7.454 7.609 1.00 12.18 H new ATOM 0 HD3 ARG A 83 38.712 6.007 8.410 1.00 12.18 H new ATOM 0 HE ARG A 83 38.996 7.741 10.514 1.00 12.92 H new ATOM 0 HH11 ARG A 83 37.520 8.144 7.328 1.00 13.12 H new ATOM 0 HH12 ARG A 83 36.247 9.211 7.931 1.00 13.12 H new ATOM 0 HH21 ARG A 83 37.341 9.084 11.274 1.00 14.12 H new ATOM 0 HH22 ARG A 83 36.147 9.739 10.148 1.00 14.12 H new ATOM 1229 N PHE A 84 41.883 2.366 11.159 1.00 13.06 N ATOM 1230 CA PHE A 84 41.816 1.367 12.227 1.00 13.61 C ATOM 1231 C PHE A 84 40.424 1.279 12.892 1.00 14.10 C ATOM 1232 O PHE A 84 40.345 1.094 14.102 1.00 14.50 O ATOM 1233 CB PHE A 84 42.885 1.665 13.290 1.00 14.25 C ATOM 1234 CG PHE A 84 44.256 1.871 12.716 1.00 14.22 C ATOM 1235 CD1 PHE A 84 44.938 0.829 12.112 1.00 14.39 C ATOM 1236 CD2 PHE A 84 44.858 3.116 12.780 1.00 14.17 C ATOM 1237 CE1 PHE A 84 46.197 1.027 11.581 1.00 14.57 C ATOM 1238 CE2 PHE A 84 46.117 3.319 12.250 1.00 14.34 C ATOM 1239 CZ PHE A 84 46.789 2.272 11.651 1.00 14.57 C ATOM 0 H PHE A 84 42.182 1.982 10.263 1.00 13.06 H new ATOM 0 HA PHE A 84 42.004 0.399 11.763 1.00 13.61 H new ATOM 0 HB2 PHE A 84 42.595 2.556 13.846 1.00 14.25 H new ATOM 0 HB3 PHE A 84 42.918 0.841 14.003 1.00 14.25 H new ATOM 0 HD1 PHE A 84 44.481 -0.148 12.056 1.00 14.39 H new ATOM 0 HD2 PHE A 84 44.337 3.937 13.250 1.00 14.17 H new ATOM 0 HE1 PHE A 84 46.719 0.207 11.110 1.00 14.57 H new ATOM 0 HE2 PHE A 84 46.575 4.295 12.304 1.00 14.34 H new ATOM 0 HZ PHE A 84 47.775 2.427 11.238 1.00 14.57 H new ATOM 1249 N PRO A 85 39.300 1.368 12.132 1.00 14.25 N ATOM 1250 CA PRO A 85 37.964 1.238 12.712 1.00 14.89 C ATOM 1251 C PRO A 85 37.593 -0.223 12.918 1.00 14.90 C ATOM 1252 O PRO A 85 36.997 -0.598 13.929 1.00 15.47 O ATOM 1253 CB PRO A 85 37.036 1.897 11.672 1.00 14.92 C ATOM 1254 CG PRO A 85 37.920 2.364 10.558 1.00 14.53 C ATOM 1255 CD PRO A 85 39.209 1.607 10.685 1.00 14.02 C ATOM 0 HA PRO A 85 37.893 1.704 13.695 1.00 14.89 H new ATOM 0 HB2 PRO A 85 36.294 1.187 11.308 1.00 14.92 H new ATOM 0 HB3 PRO A 85 36.490 2.732 12.111 1.00 14.92 H new ATOM 0 HG2 PRO A 85 37.455 2.177 9.590 1.00 14.53 H new ATOM 0 HG3 PRO A 85 38.093 3.438 10.626 1.00 14.53 H new ATOM 0 HD2 PRO A 85 39.189 0.675 10.121 1.00 14.02 H new ATOM 0 HD3 PRO A 85 40.056 2.185 10.316 1.00 14.02 H new ATOM 1263 N GLN A 86 37.994 -1.055 11.962 1.00 14.42 N ATOM 1264 CA GLN A 86 37.736 -2.487 12.024 1.00 14.58 C ATOM 1265 C GLN A 86 38.807 -3.165 12.867 1.00 14.98 C ATOM 1266 O GLN A 86 38.788 -4.380 13.063 1.00 15.51 O ATOM 1267 CB GLN A 86 37.748 -3.119 10.623 1.00 13.80 C ATOM 1268 CG GLN A 86 36.974 -2.361 9.545 1.00 13.24 C ATOM 1269 CD GLN A 86 37.733 -1.162 9.002 1.00 12.42 C ATOM 1270 OE1 GLN A 86 38.964 -1.131 9.039 1.00 12.34 O ATOM 1271 NE2 GLN A 86 37.013 -0.190 8.465 1.00 11.97 N ATOM 0 H GLN A 86 38.503 -0.758 11.129 1.00 14.42 H new ATOM 0 HA GLN A 86 36.751 -2.628 12.468 1.00 14.58 H new ATOM 0 HB2 GLN A 86 38.784 -3.218 10.298 1.00 13.80 H new ATOM 0 HB3 GLN A 86 37.339 -4.127 10.696 1.00 13.80 H new ATOM 0 HG2 GLN A 86 36.744 -3.041 8.724 1.00 13.24 H new ATOM 0 HG3 GLN A 86 36.022 -2.026 9.957 1.00 13.24 H new ATOM 0 HE21 GLN A 86 35.995 -0.255 8.455 1.00 11.97 H new ATOM 0 HE22 GLN A 86 37.476 0.624 8.061 1.00 11.97 H new ATOM 1280 N GLY A 87 39.757 -2.374 13.350 1.00 14.85 N ATOM 1281 CA GLY A 87 40.910 -2.922 14.031 1.00 15.28 C ATOM 1282 C GLY A 87 42.028 -3.217 13.056 1.00 15.54 C ATOM 1283 O GLY A 87 43.171 -3.442 13.455 1.00 16.04 O ATOM 0 H GLY A 87 39.747 -1.356 13.280 1.00 14.85 H new ATOM 0 HA2 GLY A 87 41.259 -2.218 14.787 1.00 15.28 H new ATOM 0 HA3 GLY A 87 40.628 -3.836 14.553 1.00 15.28 H new ATOM 1287 N TYR A 88 41.674 -3.204 11.769 1.00 15.34 N ATOM 1288 CA TYR A 88 42.605 -3.458 10.670 1.00 15.74 C ATOM 1289 C TYR A 88 43.250 -4.839 10.791 1.00 16.38 C ATOM 1290 O TYR A 88 44.283 -5.006 11.440 1.00 16.65 O ATOM 1291 CB TYR A 88 43.679 -2.373 10.616 1.00 15.89 C ATOM 1292 CG TYR A 88 44.365 -2.255 9.273 1.00 16.18 C ATOM 1293 CD1 TYR A 88 43.732 -1.628 8.205 1.00 16.39 C ATOM 1294 CD2 TYR A 88 45.641 -2.771 9.071 1.00 16.39 C ATOM 1295 CE1 TYR A 88 44.346 -1.523 6.972 1.00 16.82 C ATOM 1296 CE2 TYR A 88 46.260 -2.670 7.840 1.00 16.82 C ATOM 1297 CZ TYR A 88 45.612 -2.042 6.797 1.00 17.05 C ATOM 1298 OH TYR A 88 46.226 -1.943 5.568 1.00 17.61 O ATOM 0 H TYR A 88 40.721 -3.014 11.458 1.00 15.34 H new ATOM 0 HA TYR A 88 42.035 -3.435 9.741 1.00 15.74 H new ATOM 0 HB2 TYR A 88 43.226 -1.414 10.867 1.00 15.89 H new ATOM 0 HB3 TYR A 88 44.429 -2.580 11.379 1.00 15.89 H new ATOM 0 HD1 TYR A 88 42.743 -1.216 8.342 1.00 16.39 H new ATOM 0 HD2 TYR A 88 46.155 -3.257 9.887 1.00 16.39 H new ATOM 0 HE1 TYR A 88 43.839 -1.038 6.151 1.00 16.82 H new ATOM 0 HE2 TYR A 88 47.248 -3.081 7.695 1.00 16.82 H new ATOM 0 HH TYR A 88 47.113 -2.356 5.611 1.00 17.61 H new ATOM 1308 N HIS A 89 42.626 -5.829 10.170 1.00 16.74 N ATOM 1309 CA HIS A 89 43.140 -7.194 10.198 1.00 17.45 C ATOM 1310 C HIS A 89 42.717 -7.947 8.946 1.00 17.29 C ATOM 1311 O HIS A 89 42.776 -9.172 8.892 1.00 17.63 O ATOM 1312 CB HIS A 89 42.681 -7.935 11.465 1.00 18.42 C ATOM 1313 CG HIS A 89 41.195 -8.004 11.665 1.00 18.85 C ATOM 1314 ND1 HIS A 89 40.433 -9.097 11.313 1.00 19.52 N ATOM 1315 CD2 HIS A 89 40.333 -7.116 12.218 1.00 18.83 C ATOM 1316 CE1 HIS A 89 39.173 -8.874 11.633 1.00 19.89 C ATOM 1317 NE2 HIS A 89 39.084 -7.681 12.192 1.00 19.49 N ATOM 0 H HIS A 89 41.762 -5.714 9.640 1.00 16.74 H new ATOM 0 HA HIS A 89 44.229 -7.146 10.220 1.00 17.45 H new ATOM 0 HB2 HIS A 89 43.074 -8.951 11.434 1.00 18.42 H new ATOM 0 HB3 HIS A 89 43.126 -7.447 12.332 1.00 18.42 H new ATOM 0 HD2 HIS A 89 40.584 -6.141 12.608 1.00 18.83 H new ATOM 0 HE1 HIS A 89 38.351 -9.554 11.466 1.00 19.89 H new ATOM 0 HE2 HIS A 89 38.229 -7.252 12.545 1.00 19.49 H new ATOM 1326 N SER A 90 42.326 -7.202 7.924 1.00 16.89 N ATOM 1327 CA SER A 90 41.897 -7.810 6.672 1.00 16.87 C ATOM 1328 C SER A 90 43.053 -7.903 5.677 1.00 17.40 C ATOM 1329 O SER A 90 42.838 -8.062 4.477 1.00 17.57 O ATOM 1330 CB SER A 90 40.736 -7.018 6.067 1.00 16.22 C ATOM 1331 OG SER A 90 39.636 -6.963 6.965 1.00 16.09 O ATOM 0 H SER A 90 42.296 -6.182 7.935 1.00 16.89 H new ATOM 0 HA SER A 90 41.558 -8.823 6.889 1.00 16.87 H new ATOM 0 HB2 SER A 90 41.066 -6.007 5.828 1.00 16.22 H new ATOM 0 HB3 SER A 90 40.424 -7.481 5.131 1.00 16.22 H new ATOM 0 HG SER A 90 38.907 -6.451 6.558 1.00 16.09 H new ATOM 1337 N ASP A 91 44.275 -7.823 6.186 1.00 17.78 N ATOM 1338 CA ASP A 91 45.462 -7.924 5.348 1.00 18.42 C ATOM 1339 C ASP A 91 45.663 -9.357 4.858 1.00 18.69 C ATOM 1340 O ASP A 91 45.450 -9.649 3.683 1.00 19.21 O ATOM 1341 CB ASP A 91 46.691 -7.436 6.120 1.00 19.03 C ATOM 1342 CG ASP A 91 47.999 -7.843 5.468 1.00 19.61 C ATOM 1343 OD1 ASP A 91 48.232 -7.435 4.317 1.00 20.11 O ATOM 1344 OD2 ASP A 91 48.801 -8.552 6.102 1.00 19.68 O ATOM 0 H ASP A 91 44.470 -7.688 7.178 1.00 17.78 H new ATOM 0 HA ASP A 91 45.324 -7.289 4.472 1.00 18.42 H new ATOM 0 HB2 ASP A 91 46.654 -6.350 6.202 1.00 19.03 H new ATOM 0 HB3 ASP A 91 46.658 -7.833 7.134 1.00 19.03 H new ATOM 1349 N LYS A 92 46.092 -10.237 5.765 1.00 18.45 N ATOM 1350 CA LYS A 92 46.266 -11.669 5.468 1.00 18.78 C ATOM 1351 C LYS A 92 47.411 -11.927 4.487 1.00 19.35 C ATOM 1352 O LYS A 92 47.664 -13.077 4.128 1.00 19.92 O ATOM 1353 CB LYS A 92 44.961 -12.280 4.943 1.00 18.38 C ATOM 1354 CG LYS A 92 43.836 -12.331 5.973 1.00 18.13 C ATOM 1355 CD LYS A 92 44.134 -13.289 7.128 1.00 18.03 C ATOM 1356 CE LYS A 92 45.080 -12.682 8.159 1.00 17.98 C ATOM 1357 NZ LYS A 92 45.418 -13.649 9.236 1.00 17.78 N ATOM 0 H LYS A 92 46.329 -9.983 6.724 1.00 18.45 H new ATOM 0 HA LYS A 92 46.531 -12.155 6.407 1.00 18.78 H new ATOM 0 HB2 LYS A 92 44.624 -11.704 4.081 1.00 18.38 H new ATOM 0 HB3 LYS A 92 45.162 -13.292 4.591 1.00 18.38 H new ATOM 0 HG2 LYS A 92 43.668 -11.330 6.371 1.00 18.13 H new ATOM 0 HG3 LYS A 92 42.913 -12.638 5.481 1.00 18.13 H new ATOM 0 HD2 LYS A 92 43.200 -13.567 7.616 1.00 18.03 H new ATOM 0 HD3 LYS A 92 44.572 -14.205 6.732 1.00 18.03 H new ATOM 0 HE2 LYS A 92 45.995 -12.355 7.665 1.00 17.98 H new ATOM 0 HE3 LYS A 92 44.620 -11.796 8.597 1.00 17.98 H new ATOM 0 HZ1 LYS A 92 46.063 -13.199 9.917 1.00 17.78 H new ATOM 0 HZ2 LYS A 92 44.548 -13.942 9.725 1.00 17.78 H new ATOM 0 HZ3 LYS A 92 45.880 -14.483 8.821 1.00 17.78 H new ATOM 1371 N ARG A 93 48.099 -10.856 4.078 1.00 19.31 N ATOM 1372 CA ARG A 93 49.257 -10.918 3.172 1.00 19.91 C ATOM 1373 C ARG A 93 48.878 -11.367 1.756 1.00 20.36 C ATOM 1374 O ARG A 93 49.174 -10.667 0.789 1.00 20.53 O ATOM 1375 CB ARG A 93 50.365 -11.831 3.726 1.00 20.42 C ATOM 1376 CG ARG A 93 50.912 -11.404 5.082 1.00 20.25 C ATOM 1377 CD ARG A 93 51.291 -9.935 5.098 1.00 20.24 C ATOM 1378 NE ARG A 93 52.291 -9.603 4.083 1.00 20.81 N ATOM 1379 CZ ARG A 93 52.207 -8.556 3.265 1.00 21.12 C ATOM 1380 NH1 ARG A 93 51.147 -7.752 3.297 1.00 20.91 N ATOM 1381 NH2 ARG A 93 53.182 -8.322 2.396 1.00 21.73 N ATOM 0 H ARG A 93 47.866 -9.907 4.370 1.00 19.31 H new ATOM 0 HA ARG A 93 49.637 -9.898 3.109 1.00 19.91 H new ATOM 0 HB2 ARG A 93 49.976 -12.846 3.808 1.00 20.42 H new ATOM 0 HB3 ARG A 93 51.186 -11.861 3.010 1.00 20.42 H new ATOM 0 HG2 ARG A 93 50.165 -11.595 5.852 1.00 20.25 H new ATOM 0 HG3 ARG A 93 51.785 -12.008 5.328 1.00 20.25 H new ATOM 0 HD2 ARG A 93 50.398 -9.331 4.935 1.00 20.24 H new ATOM 0 HD3 ARG A 93 51.677 -9.674 6.083 1.00 20.24 H new ATOM 0 HE ARG A 93 53.104 -10.212 3.997 1.00 20.81 H new ATOM 0 HH11 ARG A 93 50.388 -7.935 3.953 1.00 20.91 H new ATOM 0 HH12 ARG A 93 51.094 -6.953 2.665 1.00 20.91 H new ATOM 0 HH21 ARG A 93 53.990 -8.943 2.357 1.00 21.73 H new ATOM 0 HH22 ARG A 93 53.123 -7.521 1.767 1.00 21.73 H new ATOM 1395 N ARG A 94 48.239 -12.531 1.651 1.00 20.65 N ATOM 1396 CA ARG A 94 47.865 -13.130 0.369 1.00 21.26 C ATOM 1397 C ARG A 94 49.113 -13.586 -0.389 1.00 22.10 C ATOM 1398 O ARG A 94 49.579 -12.922 -1.315 1.00 22.42 O ATOM 1399 CB ARG A 94 47.034 -12.156 -0.489 1.00 21.34 C ATOM 1400 CG ARG A 94 46.412 -12.801 -1.721 1.00 21.30 C ATOM 1401 CD ARG A 94 45.224 -13.682 -1.355 1.00 21.28 C ATOM 1402 NE ARG A 94 44.086 -12.900 -0.861 1.00 21.49 N ATOM 1403 CZ ARG A 94 42.916 -13.428 -0.503 1.00 21.68 C ATOM 1404 NH1 ARG A 94 42.736 -14.742 -0.522 1.00 21.65 N ATOM 1405 NH2 ARG A 94 41.927 -12.640 -0.114 1.00 21.99 N ATOM 0 H ARG A 94 47.964 -13.090 2.459 1.00 20.65 H new ATOM 0 HA ARG A 94 47.242 -14.000 0.575 1.00 21.26 H new ATOM 0 HB2 ARG A 94 46.241 -11.730 0.126 1.00 21.34 H new ATOM 0 HB3 ARG A 94 47.671 -11.330 -0.805 1.00 21.34 H new ATOM 0 HG2 ARG A 94 46.090 -12.025 -2.415 1.00 21.30 H new ATOM 0 HG3 ARG A 94 47.163 -13.399 -2.238 1.00 21.30 H new ATOM 0 HD2 ARG A 94 44.916 -14.256 -2.229 1.00 21.28 H new ATOM 0 HD3 ARG A 94 45.527 -14.400 -0.593 1.00 21.28 H new ATOM 0 HE ARG A 94 44.197 -11.889 -0.787 1.00 21.49 H new ATOM 0 HH11 ARG A 94 43.496 -15.357 -0.812 1.00 21.65 H new ATOM 0 HH12 ARG A 94 41.837 -15.138 -0.246 1.00 21.65 H new ATOM 0 HH21 ARG A 94 42.060 -11.629 -0.088 1.00 21.99 H new ATOM 0 HH22 ARG A 94 41.031 -13.043 0.160 1.00 21.99 H new ATOM 1419 N LEU A 95 49.665 -14.718 0.035 1.00 22.55 N ATOM 1420 CA LEU A 95 50.878 -15.258 -0.574 1.00 23.45 C ATOM 1421 C LEU A 95 50.541 -16.035 -1.845 1.00 24.13 C ATOM 1422 O LEU A 95 51.382 -16.176 -2.732 1.00 24.69 O ATOM 1423 CB LEU A 95 51.644 -16.167 0.404 1.00 23.73 C ATOM 1424 CG LEU A 95 52.324 -15.462 1.587 1.00 23.32 C ATOM 1425 CD1 LEU A 95 53.131 -14.265 1.106 1.00 23.09 C ATOM 1426 CD2 LEU A 95 51.305 -15.041 2.633 1.00 23.46 C ATOM 0 H LEU A 95 49.292 -15.281 0.799 1.00 22.55 H new ATOM 0 HA LEU A 95 51.518 -14.414 -0.829 1.00 23.45 H new ATOM 0 HB2 LEU A 95 50.950 -16.909 0.799 1.00 23.73 H new ATOM 0 HB3 LEU A 95 52.405 -16.710 -0.156 1.00 23.73 H new ATOM 0 HG LEU A 95 53.008 -16.171 2.054 1.00 23.32 H new ATOM 0 HD11 LEU A 95 53.605 -13.779 1.959 1.00 23.09 H new ATOM 0 HD12 LEU A 95 53.898 -14.600 0.407 1.00 23.09 H new ATOM 0 HD13 LEU A 95 52.469 -13.557 0.607 1.00 23.09 H new ATOM 0 HD21 LEU A 95 51.815 -14.545 3.459 1.00 23.46 H new ATOM 0 HD22 LEU A 95 50.586 -14.355 2.185 1.00 23.46 H new ATOM 0 HD23 LEU A 95 50.782 -15.921 3.006 1.00 23.46 H new ATOM 1438 N SER A 96 49.306 -16.537 -1.907 1.00 24.14 N ATOM 1439 CA SER A 96 48.787 -17.263 -3.073 1.00 24.84 C ATOM 1440 C SER A 96 49.421 -18.657 -3.217 1.00 25.65 C ATOM 1441 O SER A 96 48.717 -19.666 -3.214 1.00 26.06 O ATOM 1442 CB SER A 96 48.992 -16.448 -4.356 1.00 25.35 C ATOM 1443 OG SER A 96 48.456 -15.140 -4.219 1.00 25.01 O ATOM 0 H SER A 96 48.632 -16.452 -1.146 1.00 24.14 H new ATOM 0 HA SER A 96 47.718 -17.405 -2.911 1.00 24.84 H new ATOM 0 HB2 SER A 96 50.056 -16.387 -4.586 1.00 25.35 H new ATOM 0 HB3 SER A 96 48.513 -16.955 -5.194 1.00 25.35 H new ATOM 0 HG SER A 96 48.600 -14.639 -5.049 1.00 25.01 H new ATOM 1449 N LYS A 97 50.747 -18.712 -3.323 1.00 25.95 N ATOM 1450 CA LYS A 97 51.439 -19.984 -3.539 1.00 26.80 C ATOM 1451 C LYS A 97 51.610 -20.780 -2.249 1.00 26.62 C ATOM 1452 O LYS A 97 51.911 -21.969 -2.299 1.00 27.28 O ATOM 1453 CB LYS A 97 52.794 -19.772 -4.237 1.00 27.31 C ATOM 1454 CG LYS A 97 53.646 -18.625 -3.698 1.00 27.15 C ATOM 1455 CD LYS A 97 54.202 -18.899 -2.306 1.00 27.42 C ATOM 1456 CE LYS A 97 55.108 -20.125 -2.263 1.00 27.89 C ATOM 1457 NZ LYS A 97 56.311 -19.977 -3.121 1.00 28.52 N ATOM 0 H LYS A 97 51.361 -17.899 -3.264 1.00 25.95 H new ATOM 0 HA LYS A 97 50.804 -20.576 -4.198 1.00 26.80 H new ATOM 0 HB2 LYS A 97 53.369 -20.695 -4.160 1.00 27.31 H new ATOM 0 HB3 LYS A 97 52.612 -19.597 -5.297 1.00 27.31 H new ATOM 0 HG2 LYS A 97 54.473 -18.441 -4.384 1.00 27.15 H new ATOM 0 HG3 LYS A 97 53.046 -17.716 -3.671 1.00 27.15 H new ATOM 0 HD2 LYS A 97 54.761 -18.028 -1.965 1.00 27.42 H new ATOM 0 HD3 LYS A 97 53.375 -19.039 -1.610 1.00 27.42 H new ATOM 0 HE2 LYS A 97 55.420 -20.306 -1.234 1.00 27.89 H new ATOM 0 HE3 LYS A 97 54.543 -21.001 -2.583 1.00 27.89 H new ATOM 0 HZ1 LYS A 97 56.942 -20.791 -2.978 1.00 28.52 H new ATOM 0 HZ2 LYS A 97 56.022 -19.934 -4.119 1.00 28.52 H new ATOM 0 HZ3 LYS A 97 56.813 -19.102 -2.867 1.00 28.52 H new ATOM 1471 N ALA A 98 51.409 -20.117 -1.108 1.00 25.81 N ATOM 1472 CA ALA A 98 51.581 -20.736 0.216 1.00 25.63 C ATOM 1473 C ALA A 98 53.034 -21.157 0.445 1.00 26.23 C ATOM 1474 O ALA A 98 53.498 -22.150 -0.108 1.00 26.50 O ATOM 1475 CB ALA A 98 50.639 -21.924 0.404 1.00 25.39 C ATOM 0 H ALA A 98 51.123 -19.139 -1.071 1.00 25.81 H new ATOM 0 HA ALA A 98 51.324 -19.984 0.962 1.00 25.63 H new ATOM 0 HB1 ALA A 98 50.793 -22.357 1.392 1.00 25.39 H new ATOM 0 HB2 ALA A 98 49.606 -21.588 0.312 1.00 25.39 H new ATOM 0 HB3 ALA A 98 50.845 -22.676 -0.358 1.00 25.39 H new ATOM 1481 N SER A 99 53.744 -20.385 1.262 1.00 26.50 N ATOM 1482 CA SER A 99 55.166 -20.604 1.501 1.00 27.15 C ATOM 1483 C SER A 99 55.426 -21.939 2.201 1.00 27.64 C ATOM 1484 O SER A 99 56.083 -22.823 1.649 1.00 28.00 O ATOM 1485 CB SER A 99 55.717 -19.457 2.350 1.00 27.13 C ATOM 1486 OG SER A 99 55.231 -18.212 1.886 1.00 26.99 O ATOM 0 H SER A 99 53.352 -19.595 1.774 1.00 26.50 H new ATOM 0 HA SER A 99 55.672 -20.635 0.536 1.00 27.15 H new ATOM 0 HB2 SER A 99 55.430 -19.599 3.392 1.00 27.13 H new ATOM 0 HB3 SER A 99 56.806 -19.463 2.315 1.00 27.13 H new ATOM 0 HG SER A 99 55.593 -17.491 2.443 1.00 26.99 H new ATOM 1492 N SER A 100 54.910 -22.083 3.415 1.00 27.71 N ATOM 1493 CA SER A 100 55.146 -23.284 4.203 1.00 28.26 C ATOM 1494 C SER A 100 54.189 -24.401 3.792 1.00 28.98 C ATOM 1495 O SER A 100 53.180 -24.643 4.450 1.00 29.38 O ATOM 1496 CB SER A 100 55.012 -22.956 5.690 1.00 28.27 C ATOM 1497 OG SER A 100 53.820 -22.229 5.934 1.00 28.11 O ATOM 0 H SER A 100 54.326 -21.384 3.874 1.00 27.71 H new ATOM 0 HA SER A 100 56.159 -23.640 4.015 1.00 28.26 H new ATOM 0 HB2 SER A 100 55.008 -23.877 6.272 1.00 28.27 H new ATOM 0 HB3 SER A 100 55.873 -22.374 6.019 1.00 28.27 H new ATOM 0 HG SER A 100 53.055 -22.724 5.572 1.00 28.11 H new ATOM 1503 N LYS A 101 54.513 -25.055 2.684 1.00 29.21 N ATOM 1504 CA LYS A 101 53.676 -26.109 2.115 1.00 29.94 C ATOM 1505 C LYS A 101 53.457 -27.257 3.093 1.00 30.44 C ATOM 1506 O LYS A 101 52.324 -27.634 3.387 1.00 31.19 O ATOM 1507 CB LYS A 101 54.323 -26.651 0.845 1.00 30.31 C ATOM 1508 CG LYS A 101 54.663 -25.576 -0.170 1.00 30.08 C ATOM 1509 CD LYS A 101 55.382 -26.155 -1.372 1.00 30.22 C ATOM 1510 CE LYS A 101 56.707 -26.785 -0.981 1.00 30.12 C ATOM 1511 NZ LYS A 101 57.372 -27.434 -2.142 1.00 30.42 N ATOM 0 H LYS A 101 55.364 -24.871 2.152 1.00 29.21 H new ATOM 0 HA LYS A 101 52.705 -25.668 1.889 1.00 29.94 H new ATOM 0 HB2 LYS A 101 55.233 -27.188 1.112 1.00 30.31 H new ATOM 0 HB3 LYS A 101 53.650 -27.374 0.384 1.00 30.31 H new ATOM 0 HG2 LYS A 101 53.749 -25.079 -0.496 1.00 30.08 H new ATOM 0 HG3 LYS A 101 55.289 -24.816 0.299 1.00 30.08 H new ATOM 0 HD2 LYS A 101 54.749 -26.903 -1.849 1.00 30.22 H new ATOM 0 HD3 LYS A 101 55.555 -25.369 -2.107 1.00 30.22 H new ATOM 0 HE2 LYS A 101 57.364 -26.021 -0.565 1.00 30.12 H new ATOM 0 HE3 LYS A 101 56.541 -27.524 -0.197 1.00 30.12 H new ATOM 0 HZ1 LYS A 101 58.273 -27.853 -1.836 1.00 30.42 H new ATOM 0 HZ2 LYS A 101 56.755 -28.180 -2.523 1.00 30.42 H new ATOM 0 HZ3 LYS A 101 57.553 -26.724 -2.880 1.00 30.42 H new ATOM 1525 N ALA A 102 54.548 -27.805 3.604 1.00 30.08 N ATOM 1526 CA ALA A 102 54.486 -28.980 4.465 1.00 30.58 C ATOM 1527 C ALA A 102 54.375 -28.587 5.935 1.00 30.59 C ATOM 1528 O ALA A 102 54.849 -29.316 6.804 1.00 30.68 O ATOM 1529 CB ALA A 102 55.710 -29.853 4.247 1.00 30.57 C ATOM 0 H ALA A 102 55.491 -27.455 3.438 1.00 30.08 H new ATOM 0 HA ALA A 102 53.592 -29.544 4.200 1.00 30.58 H new ATOM 0 HB1 ALA A 102 55.653 -30.728 4.895 1.00 30.57 H new ATOM 0 HB2 ALA A 102 55.747 -30.174 3.206 1.00 30.57 H new ATOM 0 HB3 ALA A 102 56.609 -29.284 4.483 1.00 30.57 H new ATOM 1535 N ARG A 103 53.765 -27.422 6.199 1.00 30.57 N ATOM 1536 CA ARG A 103 53.534 -26.915 7.573 1.00 30.65 C ATOM 1537 C ARG A 103 54.837 -26.450 8.233 1.00 30.77 C ATOM 1538 O ARG A 103 54.836 -25.498 9.015 1.00 30.46 O ATOM 1539 CB ARG A 103 52.862 -27.983 8.460 1.00 31.34 C ATOM 1540 CG ARG A 103 51.575 -28.563 7.890 1.00 31.28 C ATOM 1541 CD ARG A 103 50.455 -27.537 7.843 1.00 31.10 C ATOM 1542 NE ARG A 103 49.271 -28.073 7.181 1.00 31.07 N ATOM 1543 CZ ARG A 103 48.121 -27.415 7.041 1.00 31.03 C ATOM 1544 NH1 ARG A 103 47.953 -26.229 7.619 1.00 31.01 N ATOM 1545 NH2 ARG A 103 47.135 -27.956 6.342 1.00 31.09 N ATOM 0 H ARG A 103 53.415 -26.800 5.470 1.00 30.57 H new ATOM 0 HA ARG A 103 52.866 -26.059 7.481 1.00 30.65 H new ATOM 0 HB2 ARG A 103 53.569 -28.796 8.626 1.00 31.34 H new ATOM 0 HB3 ARG A 103 52.647 -27.544 9.434 1.00 31.34 H new ATOM 0 HG2 ARG A 103 51.762 -28.940 6.885 1.00 31.28 H new ATOM 0 HG3 ARG A 103 51.262 -29.413 8.496 1.00 31.28 H new ATOM 0 HD2 ARG A 103 50.199 -27.229 8.857 1.00 31.10 H new ATOM 0 HD3 ARG A 103 50.797 -26.646 7.316 1.00 31.10 H new ATOM 0 HE ARG A 103 49.327 -29.017 6.799 1.00 31.07 H new ATOM 0 HH11 ARG A 103 48.706 -25.820 8.172 1.00 31.01 H new ATOM 0 HH12 ARG A 103 47.071 -25.729 7.509 1.00 31.01 H new ATOM 0 HH21 ARG A 103 47.257 -28.873 5.913 1.00 31.09 H new ATOM 0 HH22 ARG A 103 46.253 -27.455 6.233 1.00 31.09 H new ATOM 1559 N SER A 104 55.934 -27.133 7.903 1.00 31.30 N ATOM 1560 CA SER A 104 57.242 -26.896 8.509 1.00 31.63 C ATOM 1561 C SER A 104 57.218 -27.372 9.958 1.00 32.26 C ATOM 1562 O SER A 104 57.934 -26.857 10.815 1.00 32.63 O ATOM 1563 CB SER A 104 57.646 -25.415 8.413 1.00 31.49 C ATOM 1564 OG SER A 104 59.035 -25.234 8.670 1.00 31.60 O ATOM 0 H SER A 104 55.938 -27.873 7.201 1.00 31.30 H new ATOM 0 HA SER A 104 57.994 -27.463 7.961 1.00 31.63 H new ATOM 0 HB2 SER A 104 57.406 -25.035 7.420 1.00 31.49 H new ATOM 0 HB3 SER A 104 57.064 -24.831 9.126 1.00 31.49 H new ATOM 0 HG SER A 104 59.556 -25.812 8.075 1.00 31.60 H new ATOM 1570 N ASP A 105 56.377 -28.373 10.226 1.00 32.44 N ATOM 1571 CA ASP A 105 56.340 -29.004 11.540 1.00 33.10 C ATOM 1572 C ASP A 105 57.589 -29.850 11.707 1.00 33.71 C ATOM 1573 O ASP A 105 58.131 -29.979 12.805 1.00 33.79 O ATOM 1574 CB ASP A 105 55.088 -29.875 11.728 1.00 32.92 C ATOM 1575 CG ASP A 105 55.241 -31.267 11.148 1.00 33.34 C ATOM 1576 OD1 ASP A 105 55.252 -31.400 9.909 1.00 33.66 O ATOM 1577 OD2 ASP A 105 55.363 -32.234 11.938 1.00 33.43 O ATOM 0 H ASP A 105 55.717 -28.760 9.552 1.00 32.44 H new ATOM 0 HA ASP A 105 56.302 -28.221 12.297 1.00 33.10 H new ATOM 0 HB2 ASP A 105 54.863 -29.954 12.792 1.00 32.92 H new ATOM 0 HB3 ASP A 105 54.236 -29.383 11.258 1.00 32.92 H new ATOM 1582 N ASP A 106 58.033 -30.433 10.603 1.00 34.21 N ATOM 1583 CA ASP A 106 59.314 -31.104 10.569 1.00 34.91 C ATOM 1584 C ASP A 106 60.393 -30.040 10.562 1.00 35.10 C ATOM 1585 O ASP A 106 60.600 -29.358 9.555 1.00 35.16 O ATOM 1586 CB ASP A 106 59.426 -32.001 9.340 1.00 35.27 C ATOM 1587 CG ASP A 106 60.582 -32.974 9.435 1.00 35.62 C ATOM 1588 OD1 ASP A 106 61.749 -32.525 9.432 1.00 35.68 O ATOM 1589 OD2 ASP A 106 60.339 -34.192 9.529 1.00 35.89 O ATOM 0 H ASP A 106 57.521 -30.452 9.721 1.00 34.21 H new ATOM 0 HA ASP A 106 59.425 -31.746 11.443 1.00 34.91 H new ATOM 0 HB2 ASP A 106 58.497 -32.557 9.214 1.00 35.27 H new ATOM 0 HB3 ASP A 106 59.549 -31.381 8.452 1.00 35.27 H new ATOM 1594 N LEU A 107 61.055 -29.899 11.698 1.00 35.27 N ATOM 1595 CA LEU A 107 61.976 -28.793 11.947 1.00 35.52 C ATOM 1596 C LEU A 107 63.178 -28.825 10.990 1.00 35.58 C ATOM 1597 O LEU A 107 63.992 -27.902 10.961 1.00 35.79 O ATOM 1598 CB LEU A 107 62.440 -28.846 13.418 1.00 36.22 C ATOM 1599 CG LEU A 107 62.716 -27.496 14.097 1.00 36.57 C ATOM 1600 CD1 LEU A 107 64.117 -27.000 13.781 1.00 36.81 C ATOM 1601 CD2 LEU A 107 61.666 -26.472 13.685 1.00 36.78 C ATOM 0 H LEU A 107 60.971 -30.549 12.479 1.00 35.27 H new ATOM 0 HA LEU A 107 61.453 -27.854 11.762 1.00 35.52 H new ATOM 0 HB2 LEU A 107 61.680 -29.370 13.997 1.00 36.22 H new ATOM 0 HB3 LEU A 107 63.349 -29.446 13.468 1.00 36.22 H new ATOM 0 HG LEU A 107 62.654 -27.636 15.176 1.00 36.57 H new ATOM 0 HD11 LEU A 107 64.284 -26.043 14.275 1.00 36.81 H new ATOM 0 HD12 LEU A 107 64.849 -27.725 14.138 1.00 36.81 H new ATOM 0 HD13 LEU A 107 64.225 -26.876 12.703 1.00 36.81 H new ATOM 0 HD21 LEU A 107 61.874 -25.520 14.174 1.00 36.78 H new ATOM 0 HD22 LEU A 107 61.693 -26.338 12.604 1.00 36.78 H new ATOM 0 HD23 LEU A 107 60.678 -26.824 13.982 1.00 36.78 H new ATOM 1613 N SER A 108 63.280 -29.873 10.192 1.00 35.45 N ATOM 1614 CA SER A 108 64.386 -30.008 9.257 1.00 35.56 C ATOM 1615 C SER A 108 64.131 -29.191 7.986 1.00 34.99 C ATOM 1616 O SER A 108 65.062 -28.876 7.243 1.00 35.21 O ATOM 1617 CB SER A 108 64.574 -31.479 8.895 1.00 35.92 C ATOM 1618 OG SER A 108 64.322 -32.319 10.015 1.00 36.22 O ATOM 0 H SER A 108 62.612 -30.643 10.172 1.00 35.45 H new ATOM 0 HA SER A 108 65.290 -29.628 9.734 1.00 35.56 H new ATOM 0 HB2 SER A 108 63.902 -31.745 8.079 1.00 35.92 H new ATOM 0 HB3 SER A 108 65.590 -31.641 8.536 1.00 35.92 H new ATOM 0 HG SER A 108 63.455 -32.762 9.903 1.00 36.22 H new ATOM 1624 N VAL A 109 62.871 -28.837 7.749 1.00 34.34 N ATOM 1625 CA VAL A 109 62.476 -28.188 6.505 1.00 33.84 C ATOM 1626 C VAL A 109 61.954 -26.771 6.750 1.00 33.57 C ATOM 1627 O VAL A 109 60.771 -26.623 7.134 1.00 33.71 O ATOM 1628 CB VAL A 109 61.392 -29.011 5.777 1.00 33.11 C ATOM 1629 CG1 VAL A 109 61.109 -28.427 4.406 1.00 32.97 C ATOM 1630 CG2 VAL A 109 61.802 -30.470 5.648 1.00 33.19 C ATOM 1631 OXT VAL A 109 62.729 -25.813 6.539 1.00 33.28 O ATOM 0 H VAL A 109 62.105 -28.990 8.405 1.00 34.34 H new ATOM 0 HA VAL A 109 63.367 -28.128 5.880 1.00 33.84 H new ATOM 0 HB VAL A 109 60.482 -28.963 6.376 1.00 33.11 H new ATOM 0 HG11 VAL A 109 60.342 -29.021 3.909 1.00 32.97 H new ATOM 0 HG12 VAL A 109 60.760 -27.400 4.513 1.00 32.97 H new ATOM 0 HG13 VAL A 109 62.021 -28.440 3.810 1.00 32.97 H new ATOM 0 HG21 VAL A 109 61.018 -31.024 5.131 1.00 33.19 H new ATOM 0 HG22 VAL A 109 62.730 -30.538 5.080 1.00 33.19 H new ATOM 0 HG23 VAL A 109 61.952 -30.895 6.640 1.00 33.19 H new TER 1641 VAL A 109